Browse entries in the PDBbind-CN Database
HEADER 5DPW_COMPLEX COMPND 5DPW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 ARG PRO PHE LYS GLN ARG LYS SER LEU ALA ILE ARG GLN SEQRES 2 A 115 GLU GLU VAL ALA GLY ILE ARG ALA LYS PHE PRO ASN LYS SEQRES 3 A 115 ILE PRO VAL VAL VAL GLU ARG TYR PRO ARG GLU THR PHE SEQRES 4 A 115 LEU PRO PRO LEU ASP LYS THR LYS PHE LEU VAL PRO GLN SEQRES 5 A 115 GLU LEU THR MET THR GLN PHE LEU SER ILE ILE ARG SER SEQRES 6 A 115 ARG MET VAL LEU ARG ALA THR GLU ALA PHE TYR LEU LEU SEQRES 7 A 115 VAL ASN ASN LYS SER LEU VAL SER MET SER ALA THR MET SEQRES 8 A 115 ALA GLU ILE TYR ARG ASP TYR LYS ASP GLU ASP GLY PHE SEQRES 9 A 115 VAL TYR MET THR TYR ALA SER GLN GLU THR PHE HET GLU A 144 153 ATOM 1 N ARG A 1 9.471 -72.377 19.322 1.00 70.65 N ATOM 2 CA ARG A 1 10.461 -71.371 18.841 1.00 72.95 C ATOM 3 C ARG A 1 9.948 -69.952 19.094 1.00 68.36 C ATOM 4 O ARG A 1 9.479 -69.277 18.176 1.00 67.55 O ATOM 5 CB ARG A 1 10.779 -71.580 17.349 1.00 74.47 C ATOM 6 CG ARG A 1 9.685 -72.259 16.514 1.00 69.69 C ATOM 7 CD ARG A 1 10.139 -73.621 15.979 1.00 75.19 C ATOM 8 NE ARG A 1 10.804 -74.442 16.990 1.00 78.72 N ATOM 9 CZ ARG A 1 10.182 -75.257 17.838 1.00 77.73 C ATOM 10 NH1 ARG A 1 8.860 -75.370 17.819 1.00 78.18 N ATOM 11 NH2 ARG A 1 10.886 -75.956 18.718 1.00 80.32 N ATOM 12 HE ARG A 1 11.841 -74.385 17.051 1.00 0.00 H ATOM 13 HH12 ARG A 1 8.383 -76.010 18.486 1.00 0.00 H ATOM 14 HH11 ARG A 1 8.301 -74.819 17.137 1.00 0.00 H ATOM 15 HH22 ARG A 1 10.402 -76.594 19.382 1.00 0.00 H ATOM 16 HH21 ARG A 1 11.922 -75.866 18.744 1.00 0.00 H ATOM 17 HN3 ARG A 1 8.572 -72.247 18.816 1.00 0.00 H ATOM 18 HN2 ARG A 1 9.317 -72.249 20.343 1.00 0.00 H ATOM 19 HN1 ARG A 1 9.836 -73.334 19.142 1.00 0.00 H ATOM 20 N PRO A 2 10.029 -69.500 20.357 1.00 70.11 N ATOM 21 CA PRO A 2 9.611 -68.147 20.736 1.00 67.06 C ATOM 22 C PRO A 2 10.685 -67.104 20.432 1.00 67.33 C ATOM 23 O PRO A 2 11.877 -67.390 20.547 1.00 65.66 O ATOM 24 CB PRO A 2 9.365 -68.271 22.240 1.00 68.23 C ATOM 25 CG PRO A 2 10.312 -69.325 22.682 1.00 77.51 C ATOM 26 CD PRO A 2 10.463 -70.286 21.527 1.00 77.11 C ATOM 27 N PHE A 3 10.255 -65.903 20.058 1.00 64.62 N ATOM 28 CA PHE A 3 11.164 -64.867 19.579 1.00 51.32 C ATOM 29 C PHE A 3 11.969 -64.227 20.706 1.00 53.03 C ATOM 30 O PHE A 3 13.158 -63.948 20.546 1.00 53.55 O ATOM 31 CB PHE A 3 10.372 -63.793 18.830 1.00 51.36 C ATOM 32 CG PHE A 3 11.229 -62.825 18.065 1.00 48.59 C ATOM 33 CD1 PHE A 3 12.028 -63.264 17.023 1.00 47.77 C ATOM 34 CD2 PHE A 3 11.220 -61.476 18.374 1.00 54.03 C ATOM 35 CE1 PHE A 3 12.812 -62.377 16.312 1.00 45.63 C ATOM 36 CE2 PHE A 3 12.002 -60.584 17.665 1.00 48.91 C ATOM 37 CZ PHE A 3 12.798 -61.036 16.633 1.00 48.79 C ATOM 38 H PHE A 3 9.237 -65.695 20.108 1.00 0.00 H ATOM 39 N LYS A 4 11.318 -63.997 21.843 1.00 58.01 N ATOM 40 CA LYS A 4 11.953 -63.329 22.976 1.00 55.01 C ATOM 41 C LYS A 4 13.179 -64.089 23.472 1.00 61.55 C ATOM 42 O LYS A 4 14.078 -63.504 24.077 1.00 60.58 O ATOM 43 CB LYS A 4 10.950 -63.159 24.120 1.00 59.33 C ATOM 44 CG LYS A 4 9.761 -62.288 23.757 1.00 53.36 C ATOM 45 CD LYS A 4 9.686 -61.035 24.616 1.00 52.78 C ATOM 46 CE LYS A 4 9.087 -61.326 25.983 1.00 56.89 C ATOM 47 NZ LYS A 4 9.117 -60.132 26.873 1.00 55.86 N ATOM 48 HZ1 LYS A 4 10.102 -59.827 27.008 1.00 0.00 H ATOM 49 HZ2 LYS A 4 8.571 -59.362 26.436 1.00 0.00 H ATOM 50 HZ3 LYS A 4 8.699 -60.377 27.793 1.00 0.00 H ATOM 51 H LYS A 4 10.327 -64.302 21.928 1.00 0.00 H ATOM 52 N GLN A 5 13.209 -65.392 23.209 1.00 71.97 N ATOM 53 CA GLN A 5 14.316 -66.237 23.635 1.00 72.86 C ATOM 54 C GLN A 5 15.360 -66.357 22.529 1.00 73.77 C ATOM 55 O GLN A 5 16.559 -66.390 22.802 1.00 71.17 O ATOM 56 CB GLN A 5 13.806 -67.623 24.036 1.00 83.80 C ATOM 57 CG GLN A 5 12.617 -67.592 24.988 1.00 84.15 C ATOM 58 CD GLN A 5 12.929 -66.883 26.292 1.00 82.97 C ATOM 59 OE1 GLN A 5 14.037 -66.986 26.819 1.00 85.64 O ATOM 60 NE2 GLN A 5 11.950 -66.154 26.818 1.00 77.63 N ATOM 61 HE22 GLN A 5 11.029 -66.096 26.338 1.00 0.00 H ATOM 62 HE21 GLN A 5 12.105 -65.642 27.710 1.00 0.00 H ATOM 63 H GLN A 5 12.420 -65.820 22.684 1.00 0.00 H ATOM 64 N ARG A 6 14.896 -66.428 21.284 1.00 66.00 N ATOM 65 CA ARG A 6 15.790 -66.508 20.131 1.00 62.06 C ATOM 66 C ARG A 6 16.731 -65.313 20.088 1.00 60.44 C ATOM 67 O ARG A 6 17.952 -65.469 20.027 1.00 57.34 O ATOM 68 CB ARG A 6 14.991 -66.577 18.824 1.00 65.11 C ATOM 69 CG ARG A 6 14.536 -67.976 18.434 1.00 67.13 C ATOM 70 CD ARG A 6 14.392 -68.126 16.920 1.00 69.18 C ATOM 71 NE ARG A 6 13.228 -67.414 16.384 1.00 68.08 N ATOM 72 CZ ARG A 6 13.271 -66.433 15.483 1.00 66.14 C ATOM 73 NH1 ARG A 6 12.140 -65.873 15.076 1.00 61.90 N ATOM 74 NH2 ARG A 6 14.424 -66.006 14.978 1.00 65.29 N ATOM 75 HE ARG A 6 12.291 -67.698 16.736 1.00 0.00 H ATOM 76 HH12 ARG A 6 12.163 -65.107 14.373 1.00 0.00 H ATOM 77 HH11 ARG A 6 11.230 -66.200 15.460 1.00 0.00 H ATOM 78 HH22 ARG A 6 14.432 -65.239 14.276 1.00 0.00 H ATOM 79 HH21 ARG A 6 15.318 -66.439 15.285 1.00 0.00 H ATOM 80 H ARG A 6 13.868 -66.427 21.127 1.00 0.00 H ATOM 81 N LYS A 7 16.145 -64.122 20.122 1.00 56.00 N ATOM 82 CA LYS A 7 16.900 -62.880 20.052 1.00 51.23 C ATOM 83 C LYS A 7 17.073 -62.273 21.436 1.00 52.01 C ATOM 84 O LYS A 7 16.119 -62.199 22.212 1.00 55.85 O ATOM 85 CB LYS A 7 16.194 -61.880 19.136 1.00 46.45 C ATOM 86 CG LYS A 7 15.965 -62.371 17.715 1.00 47.27 C ATOM 87 CD LYS A 7 17.254 -62.397 16.911 1.00 52.96 C ATOM 88 CE LYS A 7 16.989 -62.752 15.455 1.00 51.57 C ATOM 89 NZ LYS A 7 17.477 -64.114 15.109 1.00 53.23 N ATOM 90 HZ1 LYS A 7 18.503 -64.165 15.272 1.00 0.00 H ATOM 91 HZ2 LYS A 7 16.994 -64.816 15.706 1.00 0.00 H ATOM 92 HZ3 LYS A 7 17.274 -64.310 14.108 1.00 0.00 H ATOM 93 H LYS A 7 15.109 -64.075 20.202 1.00 0.00 H ATOM 94 N SER A 8 18.291 -61.842 21.745 1.00 48.03 N ATOM 95 CA SER A 8 18.539 -61.111 22.978 1.00 43.32 C ATOM 96 C SER A 8 17.795 -59.784 22.911 1.00 43.36 C ATOM 97 O SER A 8 17.444 -59.320 21.827 1.00 44.98 O ATOM 98 CB SER A 8 20.035 -60.881 23.188 1.00 43.84 C ATOM 99 OG SER A 8 20.556 -60.021 22.192 1.00 42.02 O ATOM 100 HG SER A 8 21.524 -59.886 22.348 1.00 0.00 H ATOM 101 H SER A 8 19.080 -62.030 21.095 1.00 0.00 H ATOM 102 N LEU A 9 17.555 -59.179 24.068 1.00 47.00 N ATOM 103 CA LEU A 9 16.793 -57.937 24.141 1.00 49.65 C ATOM 104 C LEU A 9 17.404 -56.826 23.279 1.00 48.98 C ATOM 105 O LEU A 9 16.710 -56.212 22.468 1.00 61.84 O ATOM 106 CB LEU A 9 16.686 -57.485 25.599 1.00 51.23 C ATOM 107 CG LEU A 9 16.091 -56.102 25.875 1.00 56.51 C ATOM 108 CD1 LEU A 9 14.778 -55.891 25.139 1.00 49.85 C ATOM 109 CD2 LEU A 9 15.890 -55.921 27.370 1.00 56.31 C ATOM 110 H LEU A 9 17.920 -59.602 24.946 1.00 0.00 H ATOM 111 N ALA A 10 18.701 -56.584 23.448 1.00 50.88 N ATOM 112 CA ALA A 10 19.397 -55.527 22.714 1.00 50.59 C ATOM 113 C ALA A 10 19.277 -55.700 21.199 1.00 49.84 C ATOM 114 O ALA A 10 19.069 -54.730 20.464 1.00 53.74 O ATOM 115 CB ALA A 10 20.858 -55.491 23.119 1.00 57.06 C ATOM 116 H ALA A 10 19.238 -57.165 24.124 1.00 0.00 H ATOM 117 N ILE A 11 19.418 -56.938 20.739 1.00 41.11 N ATOM 118 CA ILE A 11 19.257 -57.263 19.326 1.00 49.25 C ATOM 119 C ILE A 11 17.839 -56.921 18.856 1.00 48.11 C ATOM 120 O ILE A 11 17.655 -56.258 17.830 1.00 45.75 O ATOM 121 CB ILE A 11 19.565 -58.760 19.069 1.00 41.22 C ATOM 122 CG1 ILE A 11 21.050 -59.045 19.319 1.00 40.40 C ATOM 123 CG2 ILE A 11 19.168 -59.181 17.654 1.00 43.91 C ATOM 124 CD1 ILE A 11 21.999 -58.410 18.313 1.00 38.98 C ATOM 125 H ILE A 11 19.651 -57.700 21.407 1.00 0.00 H ATOM 126 N ARG A 12 16.844 -57.367 19.618 1.00 40.70 N ATOM 127 CA ARG A 12 15.448 -57.086 19.300 1.00 38.85 C ATOM 128 C ARG A 12 15.206 -55.584 19.237 1.00 38.86 C ATOM 129 O ARG A 12 14.504 -55.096 18.348 1.00 43.21 O ATOM 130 CB ARG A 12 14.521 -57.728 20.333 1.00 39.22 C ATOM 131 CG ARG A 12 14.429 -59.240 20.215 1.00 36.10 C ATOM 132 CD ARG A 12 13.431 -59.833 21.198 1.00 35.91 C ATOM 133 NE ARG A 12 14.019 -60.047 22.520 1.00 38.79 N ATOM 134 CZ ARG A 12 13.508 -59.605 23.667 1.00 36.29 C ATOM 135 NH1 ARG A 12 12.377 -58.911 23.690 1.00 36.76 N ATOM 136 NH2 ARG A 12 14.135 -59.865 24.806 1.00 38.73 N ATOM 137 HE ARG A 12 14.906 -60.587 22.568 1.00 0.00 H ATOM 138 HH12 ARG A 12 11.992 -58.574 24.595 1.00 0.00 H ATOM 139 HH11 ARG A 12 11.875 -58.705 22.803 1.00 0.00 H ATOM 140 HH22 ARG A 12 13.742 -59.523 25.706 1.00 0.00 H ATOM 141 HH21 ARG A 12 15.020 -60.411 24.799 1.00 0.00 H ATOM 142 H ARG A 12 17.067 -57.931 20.463 1.00 0.00 H ATOM 143 N GLN A 13 15.796 -54.858 20.182 1.00 52.16 N ATOM 144 CA GLN A 13 15.700 -53.403 20.201 1.00 55.14 C ATOM 145 C GLN A 13 16.306 -52.808 18.938 1.00 56.42 C ATOM 146 O GLN A 13 15.697 -51.953 18.297 1.00 58.67 O ATOM 147 CB GLN A 13 16.398 -52.832 21.435 1.00 55.17 C ATOM 148 CG GLN A 13 15.685 -53.127 22.744 1.00 57.54 C ATOM 149 CD GLN A 13 16.477 -52.677 23.956 1.00 61.33 C ATOM 150 OE1 GLN A 13 17.683 -52.435 23.872 1.00 61.74 O ATOM 151 NE2 GLN A 13 15.800 -52.561 25.092 1.00 63.46 N ATOM 152 HE22 GLN A 13 14.783 -52.776 25.115 1.00 0.00 H ATOM 153 HE21 GLN A 13 16.287 -52.255 25.959 1.00 0.00 H ATOM 154 H GLN A 13 16.340 -55.340 20.926 1.00 0.00 H ATOM 155 N GLU A 14 17.510 -53.260 18.595 1.00 42.26 N ATOM 156 CA GLU A 14 18.184 -52.812 17.379 1.00 43.11 C ATOM 157 C GLU A 14 17.283 -53.018 16.166 1.00 42.09 C ATOM 158 O GLU A 14 17.082 -52.106 15.361 1.00 50.22 O ATOM 159 CB GLU A 14 19.508 -53.561 17.193 1.00 46.52 C ATOM 160 CG GLU A 14 20.273 -53.201 15.919 1.00 48.20 C ATOM 161 CD GLU A 14 21.497 -54.074 15.699 1.00 53.77 C ATOM 162 OE1 GLU A 14 21.666 -55.071 16.434 1.00 52.13 O ATOM 163 OE2 GLU A 14 22.292 -53.762 14.787 1.00 56.70 O ATOM 164 H GLU A 14 17.984 -53.952 19.210 1.00 0.00 H ATOM 165 N GLU A 15 16.743 -54.225 16.048 1.00 43.60 N ATOM 166 CA GLU A 15 15.830 -54.564 14.961 1.00 48.20 C ATOM 167 C GLU A 15 14.625 -53.612 14.915 1.00 46.47 C ATOM 168 O GLU A 15 14.330 -53.001 13.872 1.00 46.01 O ATOM 169 CB GLU A 15 15.358 -56.007 15.123 1.00 53.51 C ATOM 170 CG GLU A 15 14.651 -56.573 13.913 1.00 53.87 C ATOM 171 CD GLU A 15 14.329 -58.045 14.075 1.00 49.25 C ATOM 172 OE1 GLU A 15 13.538 -58.573 13.270 1.00 50.44 O ATOM 173 OE2 GLU A 15 14.869 -58.674 15.009 1.00 45.87 O ATOM 174 H GLU A 15 16.978 -54.953 16.753 1.00 0.00 H ATOM 175 N VAL A 16 13.948 -53.492 16.059 1.00 50.81 N ATOM 176 CA VAL A 16 12.786 -52.616 16.200 1.00 49.12 C ATOM 177 C VAL A 16 13.173 -51.201 15.789 1.00 50.52 C ATOM 178 O VAL A 16 12.431 -50.528 15.072 1.00 52.91 O ATOM 179 CB VAL A 16 12.199 -52.695 17.674 1.00 50.30 C ATOM 180 CG1 VAL A 16 12.313 -51.381 18.532 1.00 56.56 C ATOM 181 CG2 VAL A 16 10.759 -53.143 17.614 1.00 55.34 C ATOM 182 H VAL A 16 14.260 -54.044 16.883 1.00 0.00 H ATOM 183 N ALA A 17 14.358 -50.772 16.202 1.00 48.28 N ATOM 184 CA ALA A 17 14.801 -49.416 15.940 1.00 47.85 C ATOM 185 C ALA A 17 15.016 -49.195 14.446 1.00 48.42 C ATOM 186 O ALA A 17 14.442 -48.274 13.857 1.00 53.67 O ATOM 187 CB ALA A 17 16.065 -49.130 16.706 1.00 46.25 C ATOM 188 H ALA A 17 14.982 -51.420 16.724 1.00 0.00 H ATOM 189 N GLY A 18 15.835 -50.049 13.840 1.00 43.27 N ATOM 190 CA GLY A 18 16.116 -49.952 12.422 1.00 43.17 C ATOM 191 C GLY A 18 14.845 -49.974 11.599 1.00 42.35 C ATOM 192 O GLY A 18 14.704 -49.214 10.636 1.00 45.63 O ATOM 193 H GLY A 18 16.284 -50.804 14.397 1.00 0.00 H ATOM 194 N ILE A 19 13.908 -50.835 11.979 1.00 63.75 N ATOM 195 CA ILE A 19 12.698 -50.991 11.184 1.00 64.99 C ATOM 196 C ILE A 19 11.678 -49.869 11.440 1.00 69.49 C ATOM 197 O ILE A 19 10.974 -49.461 10.513 1.00 64.96 O ATOM 198 CB ILE A 19 12.083 -52.376 11.433 1.00 67.88 C ATOM 199 CG1 ILE A 19 12.780 -53.407 10.537 1.00 71.66 C ATOM 200 CG2 ILE A 19 10.592 -52.401 11.112 1.00 72.41 C ATOM 201 CD1 ILE A 19 14.312 -53.384 10.559 1.00 77.25 C ATOM 202 H ILE A 19 14.038 -51.398 12.844 1.00 0.00 H ATOM 203 N ARG A 20 11.605 -49.356 12.667 1.00 74.80 N ATOM 204 CA ARG A 20 10.748 -48.202 12.938 1.00 75.64 C ATOM 205 C ARG A 20 11.347 -46.979 12.257 1.00 68.50 C ATOM 206 O ARG A 20 10.629 -46.058 11.868 1.00 68.22 O ATOM 207 CB ARG A 20 10.583 -47.949 14.442 1.00 79.24 C ATOM 208 CG ARG A 20 9.243 -48.404 15.018 1.00 81.56 C ATOM 209 CD ARG A 20 8.080 -47.704 14.324 1.00 86.49 C ATOM 210 NE ARG A 20 6.898 -47.587 15.174 1.00 90.15 N ATOM 211 CZ ARG A 20 5.765 -46.993 14.807 1.00 90.22 C ATOM 212 NH1 ARG A 20 5.645 -46.457 13.598 1.00 85.27 N ATOM 213 NH2 ARG A 20 4.745 -46.934 15.653 1.00 94.14 N ATOM 214 HE ARG A 20 6.945 -47.995 16.129 1.00 0.00 H ATOM 215 HH12 ARG A 20 4.756 -45.995 13.320 1.00 0.00 H ATOM 216 HH11 ARG A 20 6.440 -46.499 12.929 1.00 0.00 H ATOM 217 HH22 ARG A 20 3.859 -46.470 15.368 1.00 0.00 H ATOM 218 HH21 ARG A 20 4.831 -47.352 16.602 1.00 0.00 H ATOM 219 H ARG A 20 12.161 -49.779 13.438 1.00 0.00 H ATOM 220 N ALA A 21 12.669 -46.974 12.117 1.00 52.34 N ATOM 221 CA ALA A 21 13.340 -45.931 11.355 1.00 51.54 C ATOM 222 C ALA A 21 13.053 -46.114 9.869 1.00 51.30 C ATOM 223 O ALA A 21 12.845 -45.144 9.145 1.00 51.14 O ATOM 224 CB ALA A 21 14.834 -45.953 11.619 1.00 51.23 C ATOM 225 H ALA A 21 13.233 -47.728 12.559 1.00 0.00 H ATOM 226 N LYS A 22 13.052 -47.366 9.423 1.00 62.87 N ATOM 227 CA LYS A 22 12.747 -47.684 8.031 1.00 68.13 C ATOM 228 C LYS A 22 11.303 -47.337 7.669 1.00 71.08 C ATOM 229 O LYS A 22 11.050 -46.709 6.639 1.00 65.67 O ATOM 230 CB LYS A 22 13.005 -49.166 7.759 1.00 66.99 C ATOM 231 CG LYS A 22 14.020 -49.431 6.664 1.00 70.08 C ATOM 232 CD LYS A 22 14.457 -50.886 6.670 1.00 71.82 C ATOM 233 CE LYS A 22 15.168 -51.265 5.383 1.00 73.30 C ATOM 234 NZ LYS A 22 14.232 -51.308 4.226 1.00 80.69 N ATOM 235 HZ1 LYS A 22 13.489 -52.012 4.409 1.00 0.00 H ATOM 236 HZ2 LYS A 22 13.799 -50.371 4.097 1.00 0.00 H ATOM 237 HZ3 LYS A 22 14.756 -51.570 3.367 1.00 0.00 H ATOM 238 H LYS A 22 13.274 -48.139 10.082 1.00 0.00 H ATOM 239 N PHE A 23 10.365 -47.750 8.519 1.00 51.51 N ATOM 240 CA PHE A 23 8.939 -47.524 8.281 1.00 48.64 C ATOM 241 C PHE A 23 8.270 -46.880 9.494 1.00 48.02 C ATOM 242 O PHE A 23 7.616 -47.563 10.281 1.00 44.88 O ATOM 243 CB PHE A 23 8.242 -48.841 7.941 1.00 52.02 C ATOM 244 CG PHE A 23 8.733 -49.472 6.671 1.00 49.45 C ATOM 245 CD1 PHE A 23 8.349 -48.968 5.440 1.00 54.75 C ATOM 246 CD2 PHE A 23 9.578 -50.569 6.707 1.00 45.50 C ATOM 247 CE1 PHE A 23 8.798 -49.545 4.268 1.00 49.91 C ATOM 248 CE2 PHE A 23 10.030 -51.151 5.538 1.00 49.28 C ATOM 249 CZ PHE A 23 9.640 -50.638 4.317 1.00 48.92 C ATOM 250 H PHE A 23 10.656 -48.251 9.383 1.00 0.00 H ATOM 251 N PRO A 24 8.426 -45.555 9.641 1.00 40.22 N ATOM 252 CA PRO A 24 7.931 -44.822 10.815 1.00 41.08 C ATOM 253 C PRO A 24 6.409 -44.782 10.962 1.00 42.11 C ATOM 254 O PRO A 24 5.926 -44.246 11.957 1.00 49.18 O ATOM 255 CB PRO A 24 8.477 -43.407 10.596 1.00 48.08 C ATOM 256 CG PRO A 24 8.739 -43.310 9.136 1.00 48.82 C ATOM 257 CD PRO A 24 9.156 -44.675 8.712 1.00 44.06 C ATOM 258 N ASN A 25 5.673 -45.335 10.003 1.00 54.94 N ATOM 259 CA ASN A 25 4.213 -45.312 10.053 1.00 55.62 C ATOM 260 C ASN A 25 3.594 -46.612 10.564 1.00 51.79 C ATOM 261 O ASN A 25 2.404 -46.648 10.884 1.00 50.56 O ATOM 262 CB ASN A 25 3.648 -45.002 8.665 1.00 55.76 C ATOM 263 CG ASN A 25 3.342 -43.529 8.476 1.00 64.90 C ATOM 264 OD1 ASN A 25 2.218 -43.083 8.710 1.00 68.85 O ATOM 265 ND2 ASN A 25 4.342 -42.763 8.055 1.00 66.32 N ATOM 266 HD22 ASN A 25 5.276 -43.182 7.870 1.00 0.00 H ATOM 267 HD21 ASN A 25 4.191 -41.744 7.911 1.00 0.00 H ATOM 268 H ASN A 25 6.147 -45.794 9.199 1.00 0.00 H ATOM 269 N LYS A 26 4.400 -47.667 10.651 1.00 36.84 N ATOM 270 CA LYS A 26 3.882 -49.014 10.897 1.00 30.90 C ATOM 271 C LYS A 26 4.328 -49.636 12.221 1.00 30.06 C ATOM 272 O LYS A 26 5.468 -49.465 12.652 1.00 31.04 O ATOM 273 CB LYS A 26 4.299 -49.934 9.753 1.00 30.37 C ATOM 274 CG LYS A 26 3.724 -49.547 8.406 1.00 30.99 C ATOM 275 CD LYS A 26 4.485 -50.211 7.278 1.00 31.04 C ATOM 276 CE LYS A 26 3.701 -50.179 5.985 1.00 31.60 C ATOM 277 NZ LYS A 26 2.994 -51.467 5.772 1.00 31.49 N ATOM 278 HZ1 LYS A 26 3.689 -52.239 5.727 1.00 0.00 H ATOM 279 HZ2 LYS A 26 2.338 -51.635 6.561 1.00 0.00 H ATOM 280 HZ3 LYS A 26 2.462 -51.425 4.880 1.00 0.00 H ATOM 281 H LYS A 26 5.425 -47.531 10.541 1.00 0.00 H ATOM 282 N ILE A 27 3.409 -50.367 12.848 1.00 33.25 N ATOM 283 CA ILE A 27 3.676 -51.097 14.083 1.00 30.17 C ATOM 284 C ILE A 27 4.384 -52.425 13.802 1.00 29.92 C ATOM 285 O ILE A 27 4.004 -53.140 12.866 1.00 31.77 O ATOM 286 CB ILE A 27 2.372 -51.407 14.855 1.00 32.84 C ATOM 287 CG1 ILE A 27 1.479 -50.167 14.968 1.00 34.80 C ATOM 288 CG2 ILE A 27 2.687 -51.984 16.230 1.00 38.76 C ATOM 289 CD1 ILE A 27 2.073 -49.039 15.775 1.00 35.42 C ATOM 290 H ILE A 27 2.455 -50.420 12.438 1.00 0.00 H ATOM 291 N PRO A 28 5.409 -52.762 14.612 1.00 41.49 N ATOM 292 CA PRO A 28 6.062 -54.075 14.530 1.00 31.46 C ATOM 293 C PRO A 28 5.388 -55.128 15.407 1.00 28.94 C ATOM 294 O PRO A 28 5.210 -54.906 16.606 1.00 28.12 O ATOM 295 CB PRO A 28 7.478 -53.785 15.025 1.00 43.20 C ATOM 296 CG PRO A 28 7.294 -52.693 16.022 1.00 38.21 C ATOM 297 CD PRO A 28 6.136 -51.858 15.527 1.00 40.06 C ATOM 298 N VAL A 29 5.036 -56.264 14.813 1.00 31.02 N ATOM 299 CA VAL A 29 4.283 -57.298 15.512 1.00 34.04 C ATOM 300 C VAL A 29 4.971 -58.652 15.399 1.00 30.80 C ATOM 301 O VAL A 29 5.535 -58.994 14.360 1.00 29.45 O ATOM 302 CB VAL A 29 2.831 -57.411 14.969 1.00 30.69 C ATOM 303 CG1 VAL A 29 2.036 -58.442 15.755 1.00 26.88 C ATOM 304 CG2 VAL A 29 2.119 -56.068 15.030 1.00 32.60 C ATOM 305 H VAL A 29 5.306 -56.420 13.821 1.00 0.00 H ATOM 306 N VAL A 30 4.928 -59.402 16.496 1.00 29.93 N ATOM 307 CA VAL A 30 5.424 -60.772 16.545 1.00 27.20 C ATOM 308 C VAL A 30 4.273 -61.718 16.880 1.00 32.53 C ATOM 309 O VAL A 30 3.774 -61.728 18.005 1.00 29.91 O ATOM 310 CB VAL A 30 6.557 -60.920 17.590 1.00 29.03 C ATOM 311 CG1 VAL A 30 6.885 -62.383 17.860 1.00 29.09 C ATOM 312 CG2 VAL A 30 7.795 -60.189 17.119 1.00 32.94 C ATOM 313 H VAL A 30 4.521 -58.992 17.361 1.00 0.00 H ATOM 314 N VAL A 31 3.845 -62.494 15.888 1.00 30.25 N ATOM 315 CA VAL A 31 2.828 -63.521 16.090 1.00 35.10 C ATOM 316 C VAL A 31 3.495 -64.884 16.219 1.00 33.78 C ATOM 317 O VAL A 31 4.292 -65.279 15.366 1.00 29.77 O ATOM 318 CB VAL A 31 1.809 -63.554 14.934 1.00 30.24 C ATOM 319 CG1 VAL A 31 0.726 -64.594 15.199 1.00 27.36 C ATOM 320 CG2 VAL A 31 1.186 -62.183 14.739 1.00 27.87 C ATOM 321 H VAL A 31 4.248 -62.365 14.938 1.00 0.00 H ATOM 322 N GLU A 32 3.162 -65.597 17.289 1.00 31.60 N ATOM 323 CA GLU A 32 3.760 -66.896 17.572 1.00 33.21 C ATOM 324 C GLU A 32 2.686 -67.942 17.832 1.00 37.51 C ATOM 325 O GLU A 32 1.520 -67.611 18.030 1.00 32.27 O ATOM 326 CB GLU A 32 4.696 -66.801 18.776 1.00 40.73 C ATOM 327 CG GLU A 32 5.719 -65.688 18.669 1.00 41.66 C ATOM 328 CD GLU A 32 6.735 -65.720 19.791 1.00 34.72 C ATOM 329 OE1 GLU A 32 6.338 -65.567 20.965 1.00 40.98 O ATOM 330 OE2 GLU A 32 7.933 -65.902 19.497 1.00 40.43 O ATOM 331 H GLU A 32 2.452 -65.216 17.946 1.00 0.00 H ATOM 332 N ARG A 33 3.088 -69.207 17.828 1.00 41.68 N ATOM 333 CA ARG A 33 2.169 -70.294 18.122 1.00 38.67 C ATOM 334 C ARG A 33 2.132 -70.576 19.614 1.00 40.06 C ATOM 335 O ARG A 33 3.172 -70.656 20.269 1.00 48.84 O ATOM 336 CB ARG A 33 2.566 -71.560 17.361 1.00 41.50 C ATOM 337 CG ARG A 33 1.780 -72.801 17.780 1.00 48.38 C ATOM 338 CD ARG A 33 1.365 -73.653 16.589 1.00 51.19 C ATOM 339 NE ARG A 33 1.595 -75.075 16.821 1.00 44.43 N ATOM 340 CZ ARG A 33 1.240 -76.037 15.976 1.00 46.92 C ATOM 341 NH1 ARG A 33 0.627 -75.736 14.839 1.00 53.38 N ATOM 342 NH2 ARG A 33 1.494 -77.306 16.269 1.00 52.57 N ATOM 343 HE ARG A 33 2.067 -75.354 17.705 1.00 0.00 H ATOM 344 HH12 ARG A 33 0.351 -76.493 14.181 1.00 0.00 H ATOM 345 HH11 ARG A 33 0.422 -74.743 14.606 1.00 0.00 H ATOM 346 HH22 ARG A 33 1.216 -78.058 15.607 1.00 0.00 H ATOM 347 HH21 ARG A 33 1.971 -77.548 17.161 1.00 0.00 H ATOM 348 H ARG A 33 4.081 -69.425 17.610 1.00 0.00 H ATOM 349 N TYR A 34 0.921 -70.712 20.139 1.00 35.50 N ATOM 350 CA TYR A 34 0.708 -71.146 21.510 1.00 32.55 C ATOM 351 C TYR A 34 1.445 -72.472 21.717 1.00 38.27 C ATOM 352 O TYR A 34 1.099 -73.468 21.090 1.00 39.48 O ATOM 353 CB TYR A 34 -0.796 -71.277 21.777 1.00 33.55 C ATOM 354 CG TYR A 34 -1.183 -71.773 23.151 1.00 33.97 C ATOM 355 CD1 TYR A 34 -0.543 -71.308 24.289 1.00 35.70 C ATOM 356 CD2 TYR A 34 -2.217 -72.687 23.308 1.00 37.53 C ATOM 357 CE1 TYR A 34 -0.904 -71.756 25.545 1.00 38.37 C ATOM 358 CE2 TYR A 34 -2.590 -73.136 24.559 1.00 36.41 C ATOM 359 CZ TYR A 34 -1.928 -72.669 25.675 1.00 39.78 C ATOM 360 OH TYR A 34 -2.290 -73.114 26.926 1.00 36.46 O ATOM 361 HH TYR A 34 -1.717 -72.681 27.608 1.00 0.00 H ATOM 362 H TYR A 34 0.093 -70.500 19.547 1.00 0.00 H ATOM 363 N PRO A 35 2.485 -72.486 22.574 1.00 47.53 N ATOM 364 CA PRO A 35 3.329 -73.687 22.675 1.00 44.99 C ATOM 365 C PRO A 35 2.563 -74.948 23.068 1.00 47.57 C ATOM 366 O PRO A 35 3.030 -76.054 22.797 1.00 47.75 O ATOM 367 CB PRO A 35 4.347 -73.313 23.761 1.00 46.37 C ATOM 368 CG PRO A 35 3.721 -72.195 24.517 1.00 50.87 C ATOM 369 CD PRO A 35 2.921 -71.436 23.512 1.00 48.21 C ATOM 370 N ARG A 36 1.404 -74.778 23.693 1.00 58.49 N ATOM 371 CA ARG A 36 0.562 -75.907 24.063 1.00 61.14 C ATOM 372 C ARG A 36 -0.281 -76.379 22.877 1.00 61.24 C ATOM 373 O ARG A 36 -0.989 -77.382 22.969 1.00 60.34 O ATOM 374 CB ARG A 36 -0.350 -75.530 25.229 1.00 68.61 C ATOM 375 CG ARG A 36 -0.511 -76.615 26.282 1.00 77.77 C ATOM 376 CD ARG A 36 -1.818 -76.449 27.052 1.00 83.79 C ATOM 377 NE ARG A 36 -2.982 -76.540 26.172 1.00 77.33 N ATOM 378 CZ ARG A 36 -4.244 -76.392 26.567 1.00 70.56 C ATOM 379 NH1 ARG A 36 -4.528 -76.142 27.839 1.00 72.90 N ATOM 380 NH2 ARG A 36 -5.227 -76.495 25.683 1.00 70.90 N ATOM 381 HE ARG A 36 -2.811 -76.734 25.165 1.00 0.00 H ATOM 382 HH12 ARG A 36 -5.517 -76.028 28.138 1.00 0.00 H ATOM 383 HH11 ARG A 36 -3.761 -76.060 28.537 1.00 0.00 H ATOM 384 HH22 ARG A 36 -6.215 -76.380 25.988 1.00 0.00 H ATOM 385 HH21 ARG A 36 -5.010 -76.691 24.685 1.00 0.00 H ATOM 386 H ARG A 36 1.090 -73.814 23.924 1.00 0.00 H ATOM 387 N GLU A 37 -0.205 -75.649 21.767 1.00 49.97 N ATOM 388 CA GLU A 37 -0.969 -75.983 20.567 1.00 43.93 C ATOM 389 C GLU A 37 -0.398 -77.198 19.849 1.00 44.27 C ATOM 390 O GLU A 37 0.815 -77.396 19.806 1.00 47.35 O ATOM 391 CB GLU A 37 -0.996 -74.794 19.600 1.00 43.13 C ATOM 392 CG GLU A 37 -1.844 -75.007 18.351 1.00 44.71 C ATOM 393 CD GLU A 37 -3.327 -75.094 18.651 1.00 45.49 C ATOM 394 OE1 GLU A 37 -3.771 -74.513 19.665 1.00 53.38 O ATOM 395 OE2 GLU A 37 -4.051 -75.744 17.868 1.00 46.93 O ATOM 396 H GLU A 37 0.417 -74.816 21.753 1.00 0.00 H ATOM 397 N THR A 38 -1.289 -78.008 19.289 1.00 44.17 N ATOM 398 CA THR A 38 -0.899 -79.130 18.443 1.00 44.85 C ATOM 399 C THR A 38 -1.858 -79.292 17.266 1.00 43.26 C ATOM 400 O THR A 38 -1.527 -79.931 16.269 1.00 40.50 O ATOM 401 CB THR A 38 -0.853 -80.450 19.241 1.00 47.26 C ATOM 402 OG1 THR A 38 -2.043 -80.580 20.031 1.00 43.33 O ATOM 403 CG2 THR A 38 0.369 -80.487 20.153 1.00 48.11 C ATOM 404 HG1 THR A 38 -2.008 -81.428 20.541 1.00 0.00 H ATOM 405 H THR A 38 -2.300 -77.836 19.460 1.00 0.00 H ATOM 406 N PHE A 39 -3.042 -78.699 17.382 1.00 41.36 N ATOM 407 CA PHE A 39 -4.094 -78.880 16.391 1.00 47.25 C ATOM 408 C PHE A 39 -3.883 -78.001 15.160 1.00 44.74 C ATOM 409 O PHE A 39 -3.921 -78.489 14.031 1.00 43.78 O ATOM 410 CB PHE A 39 -5.455 -78.579 17.018 1.00 45.19 C ATOM 411 CG PHE A 39 -6.611 -79.147 16.252 1.00 49.52 C ATOM 412 CD1 PHE A 39 -7.205 -78.424 15.233 1.00 56.60 C ATOM 413 CD2 PHE A 39 -7.105 -80.405 16.554 1.00 51.67 C ATOM 414 CE1 PHE A 39 -8.269 -78.946 14.527 1.00 53.73 C ATOM 415 CE2 PHE A 39 -8.169 -80.931 15.852 1.00 53.96 C ATOM 416 CZ PHE A 39 -8.752 -80.201 14.836 1.00 54.56 C ATOM 417 H PHE A 39 -3.222 -78.088 18.204 1.00 0.00 H ATOM 418 N LEU A 40 -3.660 -76.709 15.382 1.00 38.10 N ATOM 419 CA LEU A 40 -3.507 -75.762 14.281 1.00 38.53 C ATOM 420 C LEU A 40 -2.243 -76.012 13.471 1.00 34.21 C ATOM 421 O LEU A 40 -1.276 -76.569 13.986 1.00 41.01 O ATOM 422 CB LEU A 40 -3.480 -74.324 14.801 1.00 35.14 C ATOM 423 CG LEU A 40 -4.813 -73.664 15.149 1.00 30.23 C ATOM 424 CD1 LEU A 40 -4.562 -72.290 15.751 1.00 29.34 C ATOM 425 CD2 LEU A 40 -5.721 -73.551 13.930 1.00 28.47 C ATOM 426 H LEU A 40 -3.593 -76.365 16.361 1.00 0.00 H ATOM 427 N PRO A 41 -2.249 -75.596 12.195 1.00 30.06 N ATOM 428 CA PRO A 41 -1.035 -75.624 11.377 1.00 28.69 C ATOM 429 C PRO A 41 -0.098 -74.476 11.742 1.00 36.16 C ATOM 430 O PRO A 41 -0.585 -73.401 12.094 1.00 37.57 O ATOM 431 CB PRO A 41 -1.570 -75.469 9.952 1.00 28.21 C ATOM 432 CG PRO A 41 -2.821 -74.698 10.112 1.00 27.59 C ATOM 433 CD PRO A 41 -3.418 -75.145 11.418 1.00 28.77 C ATOM 434 N PRO A 42 1.224 -74.695 11.669 1.00 44.87 N ATOM 435 CA PRO A 42 2.152 -73.610 12.004 1.00 42.21 C ATOM 436 C PRO A 42 2.053 -72.427 11.050 1.00 44.98 C ATOM 437 O PRO A 42 1.520 -72.557 9.947 1.00 40.90 O ATOM 438 CB PRO A 42 3.530 -74.275 11.898 1.00 50.34 C ATOM 439 CG PRO A 42 3.272 -75.729 12.034 1.00 52.55 C ATOM 440 CD PRO A 42 1.935 -75.957 11.403 1.00 46.38 C ATOM 441 N LEU A 43 2.575 -71.286 11.490 1.00 45.84 N ATOM 442 CA LEU A 43 2.574 -70.062 10.700 1.00 40.63 C ATOM 443 C LEU A 43 3.960 -69.841 10.100 1.00 40.90 C ATOM 444 O LEU A 43 4.949 -69.762 10.829 1.00 43.30 O ATOM 445 CB LEU A 43 2.164 -68.874 11.572 1.00 44.75 C ATOM 446 CG LEU A 43 1.832 -67.565 10.859 1.00 44.01 C ATOM 447 CD1 LEU A 43 0.552 -67.694 10.057 1.00 41.74 C ATOM 448 CD2 LEU A 43 1.709 -66.442 11.868 1.00 39.37 C ATOM 449 H LEU A 43 3.002 -71.267 12.438 1.00 0.00 H ATOM 450 N ASP A 44 4.030 -69.743 8.775 1.00 34.04 N ATOM 451 CA ASP A 44 5.314 -69.684 8.079 1.00 35.64 C ATOM 452 C ASP A 44 6.106 -68.412 8.387 1.00 37.34 C ATOM 453 O ASP A 44 7.335 -68.451 8.466 1.00 43.18 O ATOM 454 CB ASP A 44 5.102 -69.803 6.566 1.00 35.62 C ATOM 455 CG ASP A 44 4.278 -68.664 5.998 1.00 41.85 C ATOM 456 OD1 ASP A 44 3.422 -68.123 6.728 1.00 40.99 O ATOM 457 OD2 ASP A 44 4.487 -68.314 4.817 1.00 38.60 O ATOM 458 H ASP A 44 3.150 -69.708 8.221 1.00 0.00 H ATOM 459 N LYS A 45 5.404 -67.293 8.555 1.00 51.83 N ATOM 460 CA LYS A 45 6.046 -66.011 8.849 1.00 44.31 C ATOM 461 C LYS A 45 5.868 -65.625 10.313 1.00 47.38 C ATOM 462 O LYS A 45 4.871 -65.978 10.941 1.00 46.15 O ATOM 463 CB LYS A 45 5.488 -64.911 7.944 1.00 41.99 C ATOM 464 CG LYS A 45 5.880 -65.054 6.480 1.00 42.09 C ATOM 465 CD LYS A 45 7.392 -64.985 6.298 1.00 43.94 C ATOM 466 CE LYS A 45 7.789 -65.079 4.838 1.00 45.60 C ATOM 467 NZ LYS A 45 9.159 -65.646 4.673 1.00 48.19 N ATOM 468 HZ1 LYS A 45 9.846 -65.036 5.161 1.00 0.00 H ATOM 469 HZ2 LYS A 45 9.189 -66.601 5.083 1.00 0.00 H ATOM 470 HZ3 LYS A 45 9.393 -65.694 3.661 1.00 0.00 H ATOM 471 H LYS A 45 4.368 -67.331 8.475 1.00 0.00 H ATOM 472 N THR A 46 6.840 -64.884 10.841 1.00 50.96 N ATOM 473 CA THR A 46 6.932 -64.638 12.276 1.00 50.37 C ATOM 474 C THR A 46 6.722 -63.168 12.626 1.00 47.54 C ATOM 475 O THR A 46 6.057 -62.849 13.611 1.00 45.31 O ATOM 476 CB THR A 46 8.306 -65.084 12.820 1.00 58.52 C ATOM 477 OG1 THR A 46 8.892 -66.041 11.928 1.00 64.78 O ATOM 478 CG2 THR A 46 8.161 -65.701 14.204 1.00 54.11 C ATOM 479 HG1 THR A 46 9.010 -65.629 11.035 1.00 0.00 H ATOM 480 H THR A 46 7.555 -64.468 10.211 1.00 0.00 H ATOM 481 N LYS A 47 7.297 -62.282 11.815 1.00 50.39 N ATOM 482 CA LYS A 47 7.245 -60.843 12.068 1.00 41.50 C ATOM 483 C LYS A 47 6.357 -60.125 11.059 1.00 37.82 C ATOM 484 O LYS A 47 6.512 -60.300 9.851 1.00 38.21 O ATOM 485 CB LYS A 47 8.653 -60.246 12.027 1.00 49.65 C ATOM 486 CG LYS A 47 9.659 -60.958 12.919 1.00 46.61 C ATOM 487 CD LYS A 47 11.027 -60.288 12.875 1.00 50.44 C ATOM 488 CE LYS A 47 11.648 -60.351 11.483 1.00 53.55 C ATOM 489 NZ LYS A 47 13.044 -59.834 11.457 1.00 47.80 N ATOM 490 HZ1 LYS A 47 13.050 -58.841 11.766 1.00 0.00 H ATOM 491 HZ2 LYS A 47 13.635 -60.402 12.098 1.00 0.00 H ATOM 492 HZ3 LYS A 47 13.419 -59.899 10.489 1.00 0.00 H ATOM 493 H LYS A 47 7.801 -62.626 10.972 1.00 0.00 H ATOM 494 N PHE A 48 5.440 -59.307 11.569 1.00 33.18 N ATOM 495 CA PHE A 48 4.515 -58.547 10.734 1.00 32.77 C ATOM 496 C PHE A 48 4.676 -57.045 10.950 1.00 35.22 C ATOM 497 O PHE A 48 4.851 -56.589 12.078 1.00 36.78 O ATOM 498 CB PHE A 48 3.072 -58.957 11.031 1.00 31.01 C ATOM 499 CG PHE A 48 2.768 -60.388 10.702 1.00 31.69 C ATOM 500 CD1 PHE A 48 2.993 -61.391 11.630 1.00 33.25 C ATOM 501 CD2 PHE A 48 2.253 -60.732 9.464 1.00 30.25 C ATOM 502 CE1 PHE A 48 2.711 -62.709 11.329 1.00 33.51 C ATOM 503 CE2 PHE A 48 1.971 -62.048 9.156 1.00 30.13 C ATOM 504 CZ PHE A 48 2.202 -63.038 10.089 1.00 32.45 C ATOM 505 H PHE A 48 5.380 -59.205 12.602 1.00 0.00 H ATOM 506 N LEU A 49 4.610 -56.285 9.862 1.00 38.67 N ATOM 507 CA LEU A 49 4.686 -54.829 9.922 1.00 40.52 C ATOM 508 C LEU A 49 3.356 -54.234 9.474 1.00 37.72 C ATOM 509 O LEU A 49 3.018 -54.287 8.288 1.00 38.29 O ATOM 510 CB LEU A 49 5.827 -54.316 9.043 1.00 46.87 C ATOM 511 CG LEU A 49 6.235 -52.859 9.263 1.00 49.71 C ATOM 512 CD1 LEU A 49 6.986 -52.699 10.581 1.00 43.14 C ATOM 513 CD2 LEU A 49 7.069 -52.354 8.097 1.00 53.85 C ATOM 514 H LEU A 49 4.500 -56.744 8.935 1.00 0.00 H ATOM 515 N VAL A 50 2.608 -53.660 10.414 1.00 31.79 N ATOM 516 CA VAL A 50 1.218 -53.290 10.148 1.00 31.30 C ATOM 517 C VAL A 50 0.957 -51.788 10.249 1.00 31.34 C ATOM 518 O VAL A 50 1.566 -51.108 11.068 1.00 41.58 O ATOM 519 CB VAL A 50 0.255 -54.018 11.117 1.00 33.81 C ATOM 520 CG1 VAL A 50 0.247 -55.511 10.838 1.00 35.15 C ATOM 521 CG2 VAL A 50 0.630 -53.750 12.567 1.00 44.12 C ATOM 522 H VAL A 50 3.018 -53.472 11.351 1.00 0.00 H ATOM 523 N PRO A 51 0.053 -51.262 9.404 1.00 31.27 N ATOM 524 CA PRO A 51 -0.388 -49.874 9.571 1.00 31.94 C ATOM 525 C PRO A 51 -1.117 -49.646 10.891 1.00 33.47 C ATOM 526 O PRO A 51 -1.448 -50.604 11.590 1.00 37.06 O ATOM 527 CB PRO A 51 -1.339 -49.659 8.390 1.00 36.50 C ATOM 528 CG PRO A 51 -0.928 -50.654 7.380 1.00 31.81 C ATOM 529 CD PRO A 51 -0.452 -51.845 8.149 1.00 32.87 C ATOM 530 N GLN A 52 -1.372 -48.383 11.212 1.00 42.89 N ATOM 531 CA GLN A 52 -2.059 -48.024 12.445 1.00 41.55 C ATOM 532 C GLN A 52 -3.570 -48.047 12.264 1.00 39.07 C ATOM 533 O GLN A 52 -4.312 -48.257 13.221 1.00 38.26 O ATOM 534 CB GLN A 52 -1.611 -46.644 12.910 1.00 46.31 C ATOM 535 CG GLN A 52 -0.127 -46.559 13.188 1.00 43.53 C ATOM 536 CD GLN A 52 0.375 -45.142 13.179 1.00 54.23 C ATOM 537 OE1 GLN A 52 -0.393 -44.203 13.385 1.00 46.03 O ATOM 538 NE2 GLN A 52 1.671 -44.975 12.933 1.00 60.72 N ATOM 539 HE22 GLN A 52 2.279 -45.802 12.765 1.00 0.00 H ATOM 540 HE21 GLN A 52 2.077 -44.018 12.909 1.00 0.00 H ATOM 541 H GLN A 52 -1.072 -47.627 10.563 1.00 0.00 H ATOM 542 N GLU A 53 -4.018 -47.830 11.032 1.00 60.57 N ATOM 543 CA GLU A 53 -5.444 -47.817 10.725 1.00 62.37 C ATOM 544 C GLU A 53 -6.010 -49.232 10.638 1.00 58.54 C ATOM 545 O GLU A 53 -7.194 -49.417 10.348 1.00 60.10 O ATOM 546 CB GLU A 53 -5.703 -47.068 9.412 1.00 74.19 C ATOM 547 CG GLU A 53 -5.039 -47.690 8.183 1.00 79.09 C ATOM 548 CD GLU A 53 -5.406 -46.980 6.889 1.00 79.89 C ATOM 549 OE1 GLU A 53 -6.558 -46.511 6.765 1.00 77.66 O ATOM 550 OE2 GLU A 53 -4.539 -46.891 5.994 1.00 83.15 O ATOM 551 H GLU A 53 -3.334 -47.665 10.266 1.00 0.00 H ATOM 552 N LEU A 54 -5.164 -50.226 10.891 1.00 27.27 N ATOM 553 CA LEU A 54 -5.580 -51.620 10.824 1.00 25.50 C ATOM 554 C LEU A 54 -6.216 -52.052 12.140 1.00 24.18 C ATOM 555 O LEU A 54 -5.728 -51.708 13.216 1.00 24.23 O ATOM 556 CB LEU A 54 -4.387 -52.518 10.494 1.00 25.35 C ATOM 557 CG LEU A 54 -4.717 -53.821 9.763 1.00 24.81 C ATOM 558 CD1 LEU A 54 -5.028 -53.549 8.300 1.00 36.15 C ATOM 559 CD2 LEU A 54 -3.576 -54.810 9.890 1.00 24.89 C ATOM 560 H LEU A 54 -4.180 -50.002 11.143 1.00 0.00 H ATOM 561 N THR A 55 -7.310 -52.802 12.043 1.00 32.27 N ATOM 562 CA THR A 55 -7.991 -53.342 13.216 1.00 32.68 C ATOM 563 C THR A 55 -7.535 -54.768 13.510 1.00 34.99 C ATOM 564 O THR A 55 -6.984 -55.443 12.641 1.00 33.50 O ATOM 565 CB THR A 55 -9.519 -53.344 13.026 1.00 31.39 C ATOM 566 OG1 THR A 55 -9.853 -54.045 11.821 1.00 35.04 O ATOM 567 CG2 THR A 55 -10.052 -51.927 12.941 1.00 40.60 C ATOM 568 HG1 THR A 55 -9.426 -53.595 11.050 1.00 0.00 H ATOM 569 H THR A 55 -7.694 -53.011 11.099 1.00 0.00 H ATOM 570 N MET A 56 -7.771 -55.219 14.740 1.00 36.55 N ATOM 571 CA MET A 56 -7.468 -56.594 15.131 1.00 35.59 C ATOM 572 C MET A 56 -8.162 -57.581 14.199 1.00 31.38 C ATOM 573 O MET A 56 -7.579 -58.587 13.787 1.00 32.21 O ATOM 574 CB MET A 56 -7.906 -56.851 16.575 1.00 41.85 C ATOM 575 CG MET A 56 -6.919 -56.386 17.640 1.00 40.16 C ATOM 576 SD MET A 56 -5.283 -57.158 17.551 1.00 37.39 S ATOM 577 CE MET A 56 -5.682 -58.897 17.404 1.00 39.17 C ATOM 578 H MET A 56 -8.183 -54.574 15.444 1.00 0.00 H ATOM 579 N THR A 57 -9.414 -57.274 13.876 1.00 25.31 N ATOM 580 CA THR A 57 -10.227 -58.109 13.003 1.00 25.58 C ATOM 581 C THR A 57 -9.545 -58.339 11.659 1.00 24.03 C ATOM 582 O THR A 57 -9.546 -59.452 11.137 1.00 30.19 O ATOM 583 CB THR A 57 -11.613 -57.471 12.783 1.00 26.29 C ATOM 584 OG1 THR A 57 -12.299 -57.382 14.038 1.00 35.03 O ATOM 585 CG2 THR A 57 -12.455 -58.280 11.802 1.00 30.92 C ATOM 586 HG1 THR A 57 -11.772 -56.823 14.662 1.00 0.00 H ATOM 587 H THR A 57 -9.830 -56.402 14.262 1.00 0.00 H ATOM 588 N GLN A 58 -8.958 -57.283 11.106 1.00 26.75 N ATOM 589 CA GLN A 58 -8.279 -57.372 9.817 1.00 25.35 C ATOM 590 C GLN A 58 -6.973 -58.154 9.916 1.00 25.09 C ATOM 591 O GLN A 58 -6.641 -58.968 9.041 1.00 28.72 O ATOM 592 CB GLN A 58 -8.000 -55.973 9.276 1.00 26.49 C ATOM 593 CG GLN A 58 -9.234 -55.220 8.839 1.00 29.84 C ATOM 594 CD GLN A 58 -8.944 -53.759 8.578 1.00 29.94 C ATOM 595 OE1 GLN A 58 -8.526 -53.030 9.476 1.00 25.14 O ATOM 596 NE2 GLN A 58 -9.146 -53.328 7.341 1.00 36.83 N ATOM 597 HE22 GLN A 58 -9.501 -53.982 6.614 1.00 0.00 H ATOM 598 HE21 GLN A 58 -8.950 -52.336 7.097 1.00 0.00 H ATOM 599 H GLN A 58 -8.983 -56.370 11.604 1.00 0.00 H ATOM 600 N PHE A 59 -6.229 -57.893 10.985 1.00 30.28 N ATOM 601 CA PHE A 59 -4.960 -58.569 11.206 1.00 27.16 C ATOM 602 C PHE A 59 -5.185 -60.069 11.341 1.00 25.69 C ATOM 603 O PHE A 59 -4.478 -60.860 10.722 1.00 29.99 O ATOM 604 CB PHE A 59 -4.257 -58.017 12.448 1.00 28.60 C ATOM 605 CG PHE A 59 -2.840 -58.500 12.608 1.00 29.01 C ATOM 606 CD1 PHE A 59 -1.941 -58.413 11.557 1.00 30.11 C ATOM 607 CD2 PHE A 59 -2.405 -59.028 13.811 1.00 26.50 C ATOM 608 CE1 PHE A 59 -0.640 -58.853 11.699 1.00 25.04 C ATOM 609 CE2 PHE A 59 -1.103 -59.468 13.958 1.00 30.32 C ATOM 610 CZ PHE A 59 -0.220 -59.377 12.902 1.00 26.27 C ATOM 611 H PHE A 59 -6.560 -57.192 11.678 1.00 0.00 H ATOM 612 N LEU A 60 -6.181 -60.453 12.137 1.00 28.13 N ATOM 613 CA LEU A 60 -6.519 -61.864 12.319 1.00 31.67 C ATOM 614 C LEU A 60 -6.753 -62.548 10.968 1.00 30.16 C ATOM 615 O LEU A 60 -6.279 -63.664 10.727 1.00 30.04 O ATOM 616 CB LEU A 60 -7.760 -62.002 13.207 1.00 35.66 C ATOM 617 CG LEU A 60 -7.732 -63.124 14.246 1.00 36.64 C ATOM 618 CD1 LEU A 60 -8.943 -63.020 15.164 1.00 36.45 C ATOM 619 CD2 LEU A 60 -7.681 -64.486 13.573 1.00 37.05 C ATOM 620 H LEU A 60 -6.733 -59.731 12.642 1.00 0.00 H ATOM 621 N SER A 61 -7.470 -61.861 10.084 1.00 34.05 N ATOM 622 CA SER A 61 -7.726 -62.368 8.742 1.00 37.56 C ATOM 623 C SER A 61 -6.419 -62.518 7.972 1.00 34.81 C ATOM 624 O SER A 61 -6.173 -63.546 7.331 1.00 38.57 O ATOM 625 CB SER A 61 -8.677 -61.436 7.991 1.00 37.55 C ATOM 626 OG SER A 61 -9.161 -62.049 6.809 1.00 45.97 O ATOM 627 HG SER A 61 -9.773 -61.426 6.343 1.00 0.00 H ATOM 628 H SER A 61 -7.859 -60.936 10.358 1.00 0.00 H ATOM 629 N ILE A 62 -5.583 -61.485 8.035 1.00 37.78 N ATOM 630 CA ILE A 62 -4.271 -61.532 7.389 1.00 31.67 C ATOM 631 C ILE A 62 -3.431 -62.709 7.893 1.00 30.24 C ATOM 632 O ILE A 62 -2.759 -63.376 7.105 1.00 31.12 O ATOM 633 CB ILE A 62 -3.501 -60.213 7.606 1.00 33.29 C ATOM 634 CG1 ILE A 62 -4.124 -59.114 6.748 1.00 35.86 C ATOM 635 CG2 ILE A 62 -2.020 -60.359 7.242 1.00 36.70 C ATOM 636 CD1 ILE A 62 -3.867 -57.718 7.254 1.00 31.67 C ATOM 637 H ILE A 62 -5.867 -60.629 8.553 1.00 0.00 H ATOM 638 N ILE A 63 -3.467 -62.960 9.198 1.00 25.26 N ATOM 639 CA ILE A 63 -2.738 -64.087 9.770 1.00 25.46 C ATOM 640 C ILE A 63 -3.347 -65.382 9.253 1.00 26.33 C ATOM 641 O ILE A 63 -2.631 -66.329 8.925 1.00 26.83 O ATOM 642 CB ILE A 63 -2.772 -64.070 11.316 1.00 25.25 C ATOM 643 CG1 ILE A 63 -2.089 -62.813 11.863 1.00 24.62 C ATOM 644 CG2 ILE A 63 -2.109 -65.315 11.898 1.00 25.78 C ATOM 645 CD1 ILE A 63 -0.642 -62.648 11.453 1.00 26.31 C ATOM 646 H ILE A 63 -4.024 -62.342 9.822 1.00 0.00 H ATOM 647 N ARG A 64 -4.674 -65.415 9.185 1.00 32.92 N ATOM 648 CA ARG A 64 -5.376 -66.577 8.661 1.00 34.90 C ATOM 649 C ARG A 64 -4.965 -66.836 7.214 1.00 36.16 C ATOM 650 O ARG A 64 -4.844 -67.987 6.794 1.00 38.03 O ATOM 651 CB ARG A 64 -6.889 -66.379 8.760 1.00 37.36 C ATOM 652 CG ARG A 64 -7.680 -67.673 8.836 1.00 45.92 C ATOM 653 CD ARG A 64 -9.161 -67.405 9.034 1.00 42.86 C ATOM 654 NE ARG A 64 -9.915 -68.640 9.231 1.00 48.09 N ATOM 655 CZ ARG A 64 -10.257 -69.471 8.252 1.00 55.56 C ATOM 656 NH1 ARG A 64 -10.944 -70.573 8.528 1.00 61.14 N ATOM 657 NH2 ARG A 64 -9.910 -69.209 6.998 1.00 57.01 N ATOM 658 HE ARG A 64 -10.203 -68.885 10.200 1.00 0.00 H ATOM 659 HH12 ARG A 64 -11.212 -71.224 7.763 1.00 0.00 H ATOM 660 HH11 ARG A 64 -11.214 -70.785 9.510 1.00 0.00 H ATOM 661 HH22 ARG A 64 -10.181 -69.863 6.236 1.00 0.00 H ATOM 662 HH21 ARG A 64 -9.368 -68.350 6.777 1.00 0.00 H ATOM 663 H ARG A 64 -5.222 -64.594 9.513 1.00 0.00 H ATOM 664 N SER A 65 -4.748 -65.760 6.462 1.00 27.81 N ATOM 665 CA SER A 65 -4.361 -65.869 5.055 1.00 28.43 C ATOM 666 C SER A 65 -3.093 -66.696 4.842 1.00 28.72 C ATOM 667 O SER A 65 -2.940 -67.340 3.804 1.00 32.87 O ATOM 668 CB SER A 65 -4.155 -64.480 4.452 1.00 28.02 C ATOM 669 OG SER A 65 -2.816 -64.047 4.629 1.00 30.64 O ATOM 670 HG SER A 65 -2.608 -64.010 5.596 1.00 0.00 H ATOM 671 H SER A 65 -4.856 -64.816 6.885 1.00 0.00 H ATOM 672 N ARG A 66 -2.183 -66.672 5.811 1.00 34.55 N ATOM 673 CA ARG A 66 -0.917 -67.391 5.681 1.00 31.50 C ATOM 674 C ARG A 66 -1.044 -68.880 5.989 1.00 32.59 C ATOM 675 O ARG A 66 -0.073 -69.627 5.856 1.00 36.15 O ATOM 676 CB ARG A 66 0.139 -66.784 6.601 1.00 32.44 C ATOM 677 CG ARG A 66 0.421 -65.319 6.342 1.00 29.74 C ATOM 678 CD ARG A 66 1.902 -65.013 6.468 1.00 31.23 C ATOM 679 NE ARG A 66 2.653 -65.441 5.290 1.00 39.77 N ATOM 680 CZ ARG A 66 2.711 -64.758 4.151 1.00 40.20 C ATOM 681 NH1 ARG A 66 2.055 -63.611 4.022 1.00 41.08 N ATOM 682 NH2 ARG A 66 3.423 -65.224 3.134 1.00 46.40 N ATOM 683 HE ARG A 66 3.176 -66.338 5.346 1.00 0.00 H ATOM 684 HH12 ARG A 66 2.104 -63.081 3.128 1.00 0.00 H ATOM 685 HH11 ARG A 66 1.492 -63.242 4.815 1.00 0.00 H ATOM 686 HH22 ARG A 66 3.468 -64.690 2.243 1.00 0.00 H ATOM 687 HH21 ARG A 66 3.936 -66.124 3.227 1.00 0.00 H ATOM 688 H ARG A 66 -2.376 -66.131 6.678 1.00 0.00 H ATOM 689 N MET A 67 -2.237 -69.303 6.399 1.00 34.25 N ATOM 690 CA MET A 67 -2.473 -70.688 6.795 1.00 37.14 C ATOM 691 C MET A 67 -3.576 -71.347 5.973 1.00 43.67 C ATOM 692 O MET A 67 -4.565 -70.707 5.610 1.00 41.40 O ATOM 693 CB MET A 67 -2.835 -70.755 8.279 1.00 36.55 C ATOM 694 CG MET A 67 -1.650 -70.573 9.208 1.00 36.50 C ATOM 695 SD MET A 67 -2.116 -70.658 10.947 1.00 43.15 S ATOM 696 CE MET A 67 -3.014 -69.121 11.132 1.00 35.24 C ATOM 697 H MET A 67 -3.026 -68.626 6.439 1.00 0.00 H ATOM 698 N VAL A 68 -3.394 -72.635 5.691 1.00 46.13 N ATOM 699 CA VAL A 68 -4.393 -73.425 4.979 1.00 49.39 C ATOM 700 C VAL A 68 -5.330 -74.087 5.986 1.00 51.51 C ATOM 701 O VAL A 68 -4.920 -74.975 6.735 1.00 56.92 O ATOM 702 CB VAL A 68 -3.743 -74.507 4.093 1.00 52.04 C ATOM 703 CG1 VAL A 68 -4.767 -75.090 3.133 1.00 58.66 C ATOM 704 CG2 VAL A 68 -2.557 -73.936 3.326 1.00 50.11 C ATOM 705 H VAL A 68 -2.509 -73.094 5.988 1.00 0.00 H ATOM 706 N LEU A 69 -6.585 -73.649 5.997 1.00 56.81 N ATOM 707 CA LEU A 69 -7.554 -74.100 6.991 1.00 57.11 C ATOM 708 C LEU A 69 -8.922 -74.339 6.368 1.00 62.11 C ATOM 709 O LEU A 69 -9.241 -73.786 5.315 1.00 59.53 O ATOM 710 CB LEU A 69 -7.688 -73.068 8.113 1.00 58.71 C ATOM 711 CG LEU A 69 -6.410 -72.655 8.843 1.00 61.71 C ATOM 712 CD1 LEU A 69 -6.588 -71.289 9.493 1.00 55.89 C ATOM 713 CD2 LEU A 69 -6.022 -73.697 9.879 1.00 57.06 C ATOM 714 H LEU A 69 -6.886 -72.964 5.275 1.00 0.00 H ATOM 715 N ARG A 70 -9.731 -75.159 7.030 1.00 68.62 N ATOM 716 CA ARG A 70 -11.120 -75.331 6.632 1.00 70.63 C ATOM 717 C ARG A 70 -11.866 -74.030 6.884 1.00 68.44 C ATOM 718 O ARG A 70 -11.941 -73.556 8.019 1.00 70.59 O ATOM 719 CB ARG A 70 -11.771 -76.487 7.392 1.00 74.87 C ATOM 720 CG ARG A 70 -11.485 -77.856 6.795 1.00 82.40 C ATOM 721 CD ARG A 70 -12.209 -78.052 5.471 1.00 87.91 C ATOM 722 NE ARG A 70 -11.379 -78.746 4.492 1.00 89.38 N ATOM 723 CZ ARG A 70 -10.957 -79.998 4.626 1.00 88.08 C ATOM 724 NH1 ARG A 70 -11.279 -80.696 5.706 1.00 89.00 N ATOM 725 NH2 ARG A 70 -10.206 -80.551 3.683 1.00 86.09 N ATOM 726 HE ARG A 70 -11.100 -78.227 3.635 1.00 0.00 H ATOM 727 HH12 ARG A 70 -10.948 -81.676 5.809 1.00 0.00 H ATOM 728 HH11 ARG A 70 -11.863 -80.263 6.450 1.00 0.00 H ATOM 729 HH22 ARG A 70 -9.876 -81.532 3.789 1.00 0.00 H ATOM 730 HH21 ARG A 70 -9.947 -80.004 2.837 1.00 0.00 H ATOM 731 H ARG A 70 -9.365 -75.688 7.847 1.00 0.00 H ATOM 732 N ALA A 71 -12.406 -73.455 5.816 1.00 88.83 N ATOM 733 CA ALA A 71 -13.052 -72.150 5.883 1.00 90.66 C ATOM 734 C ALA A 71 -14.223 -72.153 6.859 1.00 89.29 C ATOM 735 O ALA A 71 -15.383 -72.184 6.449 1.00 93.22 O ATOM 736 CB ALA A 71 -13.518 -71.729 4.498 1.00 92.18 C ATOM 737 H ALA A 71 -12.367 -73.951 4.903 1.00 0.00 H ATOM 738 N THR A 72 -13.911 -72.126 8.151 1.00 77.48 N ATOM 739 CA THR A 72 -14.927 -72.071 9.199 1.00 79.29 C ATOM 740 C THR A 72 -14.254 -71.967 10.561 1.00 78.09 C ATOM 741 O THR A 72 -14.564 -71.074 11.351 1.00 73.96 O ATOM 742 CB THR A 72 -15.856 -73.314 9.178 1.00 87.46 C ATOM 743 OG1 THR A 72 -16.610 -73.336 7.960 1.00 92.89 O ATOM 744 CG2 THR A 72 -16.828 -73.302 10.361 1.00 88.43 C ATOM 745 HG1 THR A 72 -15.989 -73.377 7.190 1.00 0.00 H ATOM 746 H THR A 72 -12.908 -72.145 8.425 1.00 0.00 H ATOM 747 N GLU A 73 -13.326 -72.879 10.827 1.00 67.29 N ATOM 748 CA GLU A 73 -12.664 -72.937 12.124 1.00 69.23 C ATOM 749 C GLU A 73 -11.809 -71.701 12.376 1.00 67.70 C ATOM 750 O GLU A 73 -10.867 -71.422 11.634 1.00 65.77 O ATOM 751 CB GLU A 73 -11.801 -74.194 12.227 1.00 72.87 C ATOM 752 CG GLU A 73 -12.593 -75.494 12.233 1.00 76.80 C ATOM 753 CD GLU A 73 -11.809 -76.662 12.807 1.00 83.18 C ATOM 754 OE1 GLU A 73 -10.854 -76.429 13.578 1.00 81.51 O ATOM 755 OE2 GLU A 73 -12.153 -77.819 12.488 1.00 84.02 O ATOM 756 H GLU A 73 -13.066 -73.568 10.093 1.00 0.00 H ATOM 757 N ALA A 74 -12.150 -70.967 13.430 1.00 73.96 N ATOM 758 CA ALA A 74 -11.401 -69.783 13.830 1.00 62.19 C ATOM 759 C ALA A 74 -10.498 -70.101 15.014 1.00 66.63 C ATOM 760 O ALA A 74 -10.625 -71.157 15.635 1.00 69.82 O ATOM 761 CB ALA A 74 -12.350 -68.649 14.181 1.00 62.11 C ATOM 762 H ALA A 74 -12.981 -71.248 13.989 1.00 0.00 H ATOM 763 N PHE A 75 -9.588 -69.182 15.318 1.00 38.64 N ATOM 764 CA PHE A 75 -8.712 -69.320 16.472 1.00 33.67 C ATOM 765 C PHE A 75 -8.591 -67.984 17.190 1.00 36.81 C ATOM 766 O PHE A 75 -8.999 -66.948 16.667 1.00 38.15 O ATOM 767 CB PHE A 75 -7.334 -69.838 16.051 1.00 38.21 C ATOM 768 CG PHE A 75 -6.724 -69.084 14.906 1.00 32.98 C ATOM 769 CD1 PHE A 75 -7.004 -69.441 13.598 1.00 41.22 C ATOM 770 CD2 PHE A 75 -5.866 -68.023 15.136 1.00 31.59 C ATOM 771 CE1 PHE A 75 -6.444 -68.751 12.541 1.00 37.08 C ATOM 772 CE2 PHE A 75 -5.302 -67.329 14.084 1.00 34.64 C ATOM 773 CZ PHE A 75 -5.592 -67.693 12.784 1.00 35.48 C ATOM 774 H PHE A 75 -9.499 -68.340 14.714 1.00 0.00 H ATOM 775 N TYR A 76 -8.039 -68.024 18.397 1.00 28.17 N ATOM 776 CA TYR A 76 -7.906 -66.840 19.233 1.00 27.47 C ATOM 777 C TYR A 76 -6.513 -66.243 19.120 1.00 28.23 C ATOM 778 O TYR A 76 -5.516 -66.968 19.128 1.00 31.65 O ATOM 779 CB TYR A 76 -8.199 -67.186 20.691 1.00 32.92 C ATOM 780 CG TYR A 76 -9.500 -67.921 20.889 1.00 31.35 C ATOM 781 CD1 TYR A 76 -10.698 -67.230 20.994 1.00 31.24 C ATOM 782 CD2 TYR A 76 -9.532 -69.308 20.974 1.00 30.43 C ATOM 783 CE1 TYR A 76 -11.891 -67.895 21.175 1.00 31.07 C ATOM 784 CE2 TYR A 76 -10.721 -69.983 21.157 1.00 27.96 C ATOM 785 CZ TYR A 76 -11.898 -69.270 21.258 1.00 37.23 C ATOM 786 OH TYR A 76 -13.090 -69.930 21.442 1.00 43.77 O ATOM 787 HH TYR A 76 -13.827 -69.271 21.493 1.00 0.00 H ATOM 788 H TYR A 76 -7.689 -68.934 18.758 1.00 0.00 H ATOM 789 N LEU A 77 -6.459 -64.917 19.027 1.00 42.78 N ATOM 790 CA LEU A 77 -5.198 -64.192 18.936 1.00 40.03 C ATOM 791 C LEU A 77 -4.935 -63.438 20.239 1.00 39.83 C ATOM 792 O LEU A 77 -5.443 -62.338 20.450 1.00 45.16 O ATOM 793 CB LEU A 77 -5.227 -63.235 17.739 1.00 40.01 C ATOM 794 CG LEU A 77 -3.903 -62.675 17.210 1.00 46.31 C ATOM 795 CD1 LEU A 77 -2.868 -63.768 16.961 1.00 46.73 C ATOM 796 CD2 LEU A 77 -4.158 -61.902 15.926 1.00 47.09 C ATOM 797 H LEU A 77 -7.349 -64.378 19.019 1.00 0.00 H ATOM 798 N LEU A 78 -4.153 -64.059 21.118 1.00 34.69 N ATOM 799 CA LEU A 78 -3.810 -63.480 22.414 1.00 32.24 C ATOM 800 C LEU A 78 -2.640 -62.510 22.324 1.00 30.79 C ATOM 801 O LEU A 78 -1.562 -62.874 21.855 1.00 33.04 O ATOM 802 CB LEU A 78 -3.455 -64.580 23.419 1.00 31.60 C ATOM 803 CG LEU A 78 -4.462 -65.691 23.723 1.00 28.08 C ATOM 804 CD1 LEU A 78 -5.880 -65.185 23.592 1.00 28.68 C ATOM 805 CD2 LEU A 78 -4.225 -66.902 22.834 1.00 31.43 C ATOM 806 H LEU A 78 -3.771 -64.994 20.872 1.00 0.00 H ATOM 807 N VAL A 79 -2.851 -61.284 22.793 1.00 27.85 N ATOM 808 CA VAL A 79 -1.776 -60.305 22.899 1.00 28.19 C ATOM 809 C VAL A 79 -1.024 -60.549 24.201 1.00 30.03 C ATOM 810 O VAL A 79 -1.630 -60.590 25.270 1.00 34.08 O ATOM 811 CB VAL A 79 -2.305 -58.857 22.872 1.00 32.69 C ATOM 812 CG1 VAL A 79 -1.135 -57.855 22.920 1.00 37.36 C ATOM 813 CG2 VAL A 79 -3.206 -58.634 21.648 1.00 32.87 C ATOM 814 H VAL A 79 -3.810 -61.016 23.093 1.00 0.00 H ATOM 815 N ASN A 80 0.293 -60.713 24.098 1.00 29.46 N ATOM 816 CA ASN A 80 1.131 -61.130 25.222 1.00 30.28 C ATOM 817 C ASN A 80 0.680 -62.474 25.793 1.00 30.73 C ATOM 818 O ASN A 80 0.984 -62.805 26.939 1.00 31.31 O ATOM 819 CB ASN A 80 1.136 -60.068 26.328 1.00 31.86 C ATOM 820 CG ASN A 80 1.828 -58.784 25.905 1.00 33.07 C ATOM 821 OD1 ASN A 80 2.771 -58.801 25.112 1.00 30.85 O ATOM 822 ND2 ASN A 80 1.366 -57.662 26.443 1.00 30.69 N ATOM 823 HD22 ASN A 80 0.567 -57.695 27.108 1.00 0.00 H ATOM 824 HD21 ASN A 80 1.803 -56.750 26.199 1.00 0.00 H ATOM 825 H ASN A 80 0.746 -60.537 23.178 1.00 0.00 H ATOM 826 N ASN A 81 -0.040 -63.241 24.977 1.00 48.36 N ATOM 827 CA ASN A 81 -0.549 -64.553 25.366 1.00 50.08 C ATOM 828 C ASN A 81 -1.363 -64.519 26.658 1.00 47.56 C ATOM 829 O ASN A 81 -1.480 -65.529 27.351 1.00 48.94 O ATOM 830 CB ASN A 81 0.607 -65.547 25.514 1.00 53.76 C ATOM 831 CG ASN A 81 0.144 -66.996 25.468 1.00 54.30 C ATOM 832 OD1 ASN A 81 -0.868 -67.317 24.843 1.00 51.95 O ATOM 833 ND2 ASN A 81 0.879 -67.876 26.139 1.00 58.81 N ATOM 834 HD22 ASN A 81 1.726 -67.561 26.653 1.00 0.00 H ATOM 835 HD21 ASN A 81 0.607 -68.880 26.150 1.00 0.00 H ATOM 836 H ASN A 81 -0.249 -62.890 24.021 1.00 0.00 H ATOM 837 N LYS A 82 -1.930 -63.359 26.978 1.00 34.16 N ATOM 838 CA LYS A 82 -2.683 -63.205 28.219 1.00 36.79 C ATOM 839 C LYS A 82 -3.839 -62.218 28.100 1.00 39.73 C ATOM 840 O LYS A 82 -4.638 -62.087 29.028 1.00 39.63 O ATOM 841 CB LYS A 82 -1.749 -62.750 29.344 1.00 41.97 C ATOM 842 CG LYS A 82 -1.925 -63.523 30.639 1.00 50.08 C ATOM 843 CD LYS A 82 -1.300 -62.798 31.825 1.00 54.16 C ATOM 844 CE LYS A 82 -2.162 -61.629 32.292 1.00 57.46 C ATOM 845 NZ LYS A 82 -1.596 -60.305 31.915 1.00 51.02 N ATOM 846 HZ1 LYS A 82 -0.655 -60.197 32.344 1.00 0.00 H ATOM 847 HZ2 LYS A 82 -1.515 -60.246 30.880 1.00 0.00 H ATOM 848 HZ3 LYS A 82 -2.224 -59.550 32.258 1.00 0.00 H ATOM 849 H LYS A 82 -1.835 -62.548 26.333 1.00 0.00 H ATOM 850 N SER A 83 -3.933 -61.532 26.964 1.00 42.73 N ATOM 851 CA SER A 83 -4.915 -60.469 26.802 1.00 43.29 C ATOM 852 C SER A 83 -5.863 -60.737 25.640 1.00 40.62 C ATOM 853 O SER A 83 -5.458 -60.763 24.476 1.00 39.80 O ATOM 854 CB SER A 83 -4.210 -59.124 26.603 1.00 48.70 C ATOM 855 OG SER A 83 -5.117 -58.044 26.746 1.00 46.01 O ATOM 856 HG SER A 83 -4.635 -57.190 26.613 1.00 0.00 H ATOM 857 H SER A 83 -3.293 -61.759 26.177 1.00 0.00 H ATOM 858 N LEU A 84 -7.128 -60.955 25.983 1.00 35.69 N ATOM 859 CA LEU A 84 -8.213 -60.978 25.013 1.00 30.79 C ATOM 860 C LEU A 84 -8.716 -59.553 24.838 1.00 32.92 C ATOM 861 O LEU A 84 -9.378 -59.013 25.723 1.00 34.00 O ATOM 862 CB LEU A 84 -9.340 -61.899 25.482 1.00 35.35 C ATOM 863 CG LEU A 84 -9.768 -63.035 24.552 1.00 38.26 C ATOM 864 CD1 LEU A 84 -8.597 -63.908 24.160 1.00 39.95 C ATOM 865 CD2 LEU A 84 -10.836 -63.874 25.226 1.00 32.51 C ATOM 866 H LEU A 84 -7.352 -61.116 26.986 1.00 0.00 H ATOM 867 N VAL A 85 -8.388 -58.944 23.702 1.00 31.50 N ATOM 868 CA VAL A 85 -8.643 -57.521 23.497 1.00 35.11 C ATOM 869 C VAL A 85 -9.799 -57.291 22.533 1.00 31.87 C ATOM 870 O VAL A 85 -10.276 -58.223 21.888 1.00 33.95 O ATOM 871 CB VAL A 85 -7.384 -56.792 22.968 1.00 30.78 C ATOM 872 CG1 VAL A 85 -6.209 -57.006 23.936 1.00 46.76 C ATOM 873 CG2 VAL A 85 -7.042 -57.232 21.527 1.00 32.77 C ATOM 874 H VAL A 85 -7.939 -59.494 22.942 1.00 0.00 H ATOM 875 N SER A 86 -10.242 -56.042 22.442 1.00 36.25 N ATOM 876 CA SER A 86 -11.354 -55.679 21.573 1.00 36.43 C ATOM 877 C SER A 86 -11.040 -55.970 20.111 1.00 36.68 C ATOM 878 O SER A 86 -10.002 -55.559 19.592 1.00 40.08 O ATOM 879 CB SER A 86 -11.701 -54.199 21.740 1.00 37.17 C ATOM 880 OG SER A 86 -12.802 -53.840 20.922 1.00 49.55 O ATOM 881 HG SER A 86 -13.006 -52.880 21.048 1.00 0.00 H ATOM 882 H SER A 86 -9.781 -55.301 23.008 1.00 0.00 H ATOM 883 N MET A 87 -11.949 -56.681 19.454 1.00 44.36 N ATOM 884 CA MET A 87 -11.808 -56.997 18.040 1.00 44.40 C ATOM 885 C MET A 87 -11.804 -55.728 17.191 1.00 42.10 C ATOM 886 O MET A 87 -11.301 -55.724 16.068 1.00 42.27 O ATOM 887 CB MET A 87 -12.942 -57.922 17.591 1.00 47.84 C ATOM 888 CG MET A 87 -12.856 -59.333 18.154 1.00 48.51 C ATOM 889 SD MET A 87 -11.596 -60.336 17.343 1.00 61.91 S ATOM 890 CE MET A 87 -12.317 -60.560 15.715 1.00 49.95 C ATOM 891 H MET A 87 -12.788 -57.023 19.965 1.00 0.00 H ATOM 892 N SER A 88 -12.363 -54.654 17.742 1.00 35.53 N ATOM 893 CA SER A 88 -12.539 -53.404 17.009 1.00 35.30 C ATOM 894 C SER A 88 -11.342 -52.465 17.146 1.00 32.39 C ATOM 895 O SER A 88 -11.217 -51.498 16.395 1.00 31.40 O ATOM 896 CB SER A 88 -13.802 -52.690 17.497 1.00 40.82 C ATOM 897 OG SER A 88 -14.835 -53.618 17.784 1.00 46.82 O ATOM 898 HG SER A 88 -15.638 -53.130 18.097 1.00 0.00 H ATOM 899 H SER A 88 -12.686 -54.707 18.729 1.00 0.00 H ATOM 900 N ALA A 89 -10.468 -52.750 18.107 1.00 31.44 N ATOM 901 CA ALA A 89 -9.345 -51.866 18.411 1.00 31.30 C ATOM 902 C ALA A 89 -8.327 -51.816 17.278 1.00 30.84 C ATOM 903 O ALA A 89 -8.095 -52.810 16.590 1.00 30.58 O ATOM 904 CB ALA A 89 -8.670 -52.307 19.697 1.00 31.44 C ATOM 905 H ALA A 89 -10.587 -53.625 18.657 1.00 0.00 H ATOM 906 N THR A 90 -7.719 -50.647 17.099 1.00 30.82 N ATOM 907 CA THR A 90 -6.702 -50.450 16.074 1.00 30.48 C ATOM 908 C THR A 90 -5.333 -50.880 16.583 1.00 33.61 C ATOM 909 O THR A 90 -5.112 -50.961 17.791 1.00 30.60 O ATOM 910 CB THR A 90 -6.622 -48.981 15.631 1.00 30.61 C ATOM 911 OG1 THR A 90 -6.429 -48.145 16.778 1.00 30.98 O ATOM 912 CG2 THR A 90 -7.894 -48.565 14.908 1.00 30.75 C ATOM 913 HG1 THR A 90 -6.378 -47.199 16.491 1.00 0.00 H ATOM 914 H THR A 90 -7.978 -49.847 17.711 1.00 0.00 H ATOM 915 N MET A 91 -4.417 -51.144 15.655 1.00 30.11 N ATOM 916 CA MET A 91 -3.059 -51.545 16.003 1.00 30.08 C ATOM 917 C MET A 91 -2.387 -50.522 16.913 1.00 30.37 C ATOM 918 O MET A 91 -1.586 -50.881 17.774 1.00 30.53 O ATOM 919 CB MET A 91 -2.214 -51.736 14.740 1.00 29.86 C ATOM 920 CG MET A 91 -2.611 -52.918 13.855 1.00 34.21 C ATOM 921 SD MET A 91 -2.490 -54.533 14.656 1.00 32.62 S ATOM 922 CE MET A 91 -4.182 -54.751 15.183 1.00 29.85 C ATOM 923 H MET A 91 -4.677 -51.062 14.651 1.00 0.00 H ATOM 924 N ALA A 92 -2.715 -49.248 16.717 1.00 37.74 N ATOM 925 CA ALA A 92 -2.111 -48.167 17.491 1.00 37.64 C ATOM 926 C ALA A 92 -2.470 -48.254 18.973 1.00 41.18 C ATOM 927 O ALA A 92 -1.611 -48.087 19.844 1.00 46.92 O ATOM 928 CB ALA A 92 -2.538 -46.826 16.929 1.00 38.13 C ATOM 929 H ALA A 92 -3.422 -49.015 15.991 1.00 0.00 H ATOM 930 N GLU A 93 -3.747 -48.499 19.252 1.00 36.58 N ATOM 931 CA GLU A 93 -4.214 -48.677 20.621 1.00 36.12 C ATOM 932 C GLU A 93 -3.503 -49.855 21.280 1.00 35.65 C ATOM 933 O GLU A 93 -2.918 -49.727 22.364 1.00 37.07 O ATOM 934 CB GLU A 93 -5.726 -48.896 20.641 1.00 36.29 C ATOM 935 CG GLU A 93 -6.284 -49.244 22.011 1.00 37.44 C ATOM 936 CD GLU A 93 -7.777 -49.500 21.983 1.00 39.42 C ATOM 937 OE1 GLU A 93 -8.394 -49.311 20.913 1.00 38.21 O ATOM 938 OE2 GLU A 93 -8.332 -49.892 23.031 1.00 46.00 O ATOM 939 H GLU A 93 -4.431 -48.565 18.472 1.00 0.00 H ATOM 940 N ILE A 94 -3.566 -51.003 20.613 1.00 31.24 N ATOM 941 CA ILE A 94 -2.926 -52.218 21.098 1.00 31.23 C ATOM 942 C ILE A 94 -1.444 -51.958 21.305 1.00 31.33 C ATOM 943 O ILE A 94 -0.849 -52.433 22.272 1.00 31.61 O ATOM 944 CB ILE A 94 -3.118 -53.395 20.116 1.00 30.86 C ATOM 945 CG1 ILE A 94 -4.605 -53.611 19.815 1.00 30.83 C ATOM 946 CG2 ILE A 94 -2.507 -54.674 20.670 1.00 31.95 C ATOM 947 CD1 ILE A 94 -5.479 -53.791 21.046 1.00 31.23 C ATOM 948 H ILE A 94 -4.090 -51.035 19.715 1.00 0.00 H ATOM 949 N TYR A 95 -0.855 -51.185 20.399 1.00 35.08 N ATOM 950 CA TYR A 95 0.550 -50.836 20.514 1.00 36.39 C ATOM 951 C TYR A 95 0.793 -50.043 21.790 1.00 37.43 C ATOM 952 O TYR A 95 1.610 -50.446 22.614 1.00 38.17 O ATOM 953 CB TYR A 95 1.023 -50.040 19.297 1.00 36.88 C ATOM 954 CG TYR A 95 2.454 -49.567 19.411 1.00 42.66 C ATOM 955 CD1 TYR A 95 3.513 -50.451 19.251 1.00 44.25 C ATOM 956 CD2 TYR A 95 2.747 -48.239 19.681 1.00 47.58 C ATOM 957 CE1 TYR A 95 4.823 -50.023 19.354 1.00 43.27 C ATOM 958 CE2 TYR A 95 4.053 -47.802 19.787 1.00 42.03 C ATOM 959 CZ TYR A 95 5.087 -48.698 19.623 1.00 41.36 C ATOM 960 OH TYR A 95 6.390 -48.267 19.727 1.00 49.98 O ATOM 961 HH TYR A 95 7.002 -49.032 19.583 1.00 0.00 H ATOM 962 H TYR A 95 -1.408 -50.825 19.596 1.00 0.00 H ATOM 963 N ARG A 96 0.079 -48.934 21.968 1.00 51.70 N ATOM 964 CA ARG A 96 0.320 -48.086 23.131 1.00 52.65 C ATOM 965 C ARG A 96 0.043 -48.833 24.436 1.00 53.53 C ATOM 966 O ARG A 96 0.746 -48.631 25.427 1.00 55.17 O ATOM 967 CB ARG A 96 -0.521 -46.806 23.066 1.00 53.37 C ATOM 968 CG ARG A 96 -2.029 -46.993 23.194 1.00 61.73 C ATOM 969 CD ARG A 96 -2.689 -45.756 23.787 1.00 63.39 C ATOM 970 NE ARG A 96 -2.902 -45.893 25.227 1.00 64.81 N ATOM 971 CZ ARG A 96 -2.999 -44.874 26.078 1.00 64.33 C ATOM 972 NH1 ARG A 96 -3.197 -45.108 27.369 1.00 61.56 N ATOM 973 NH2 ARG A 96 -2.892 -43.624 25.647 1.00 62.23 N ATOM 974 HE ARG A 96 -2.984 -46.855 25.614 1.00 0.00 H ATOM 975 HH12 ARG A 96 -3.273 -44.314 28.036 1.00 0.00 H ATOM 976 HH11 ARG A 96 -3.276 -46.086 27.714 1.00 0.00 H ATOM 977 HH22 ARG A 96 -2.969 -42.834 26.319 1.00 0.00 H ATOM 978 HH21 ARG A 96 -2.731 -43.434 24.637 1.00 0.00 H ATOM 979 H ARG A 96 -0.652 -48.671 21.277 1.00 0.00 H ATOM 980 N ASP A 97 -0.965 -49.702 24.435 1.00 48.21 N ATOM 981 CA ASP A 97 -1.349 -50.403 25.657 1.00 42.29 C ATOM 982 C ASP A 97 -0.437 -51.583 25.985 1.00 42.84 C ATOM 983 O ASP A 97 -0.069 -51.774 27.145 1.00 45.27 O ATOM 984 CB ASP A 97 -2.794 -50.896 25.556 1.00 42.23 C ATOM 985 CG ASP A 97 -3.809 -49.779 25.725 1.00 43.24 C ATOM 986 OD1 ASP A 97 -3.463 -48.733 26.313 1.00 49.02 O ATOM 987 OD2 ASP A 97 -4.963 -49.952 25.277 1.00 43.74 O ATOM 988 H ASP A 97 -1.485 -49.884 23.553 1.00 0.00 H ATOM 989 N TYR A 98 -0.072 -52.366 24.973 1.00 41.59 N ATOM 990 CA TYR A 98 0.641 -53.622 25.200 1.00 38.70 C ATOM 991 C TYR A 98 2.018 -53.680 24.538 1.00 41.12 C ATOM 992 O TYR A 98 2.459 -54.748 24.110 1.00 37.95 O ATOM 993 CB TYR A 98 -0.210 -54.789 24.702 1.00 43.01 C ATOM 994 CG TYR A 98 -1.657 -54.701 25.131 1.00 41.07 C ATOM 995 CD1 TYR A 98 -2.046 -55.079 26.408 1.00 47.30 C ATOM 996 CD2 TYR A 98 -2.634 -54.235 24.260 1.00 37.90 C ATOM 997 CE1 TYR A 98 -3.366 -54.998 26.807 1.00 45.05 C ATOM 998 CE2 TYR A 98 -3.957 -54.151 24.649 1.00 37.04 C ATOM 999 CZ TYR A 98 -4.317 -54.534 25.925 1.00 39.57 C ATOM 1000 OH TYR A 98 -5.633 -54.456 26.322 1.00 46.64 O ATOM 1001 HH TYR A 98 -5.713 -54.767 27.258 1.00 0.00 H ATOM 1002 H TYR A 98 -0.299 -52.078 24.000 1.00 0.00 H ATOM 1003 N LYS A 99 2.698 -52.540 24.464 1.00 41.76 N ATOM 1004 CA LYS A 99 4.065 -52.503 23.955 1.00 41.91 C ATOM 1005 C LYS A 99 4.990 -53.267 24.887 1.00 47.73 C ATOM 1006 O LYS A 99 5.038 -52.992 26.085 1.00 43.63 O ATOM 1007 CB LYS A 99 4.564 -51.066 23.818 1.00 45.63 C ATOM 1008 CG LYS A 99 5.729 -50.902 22.859 1.00 45.86 C ATOM 1009 CD LYS A 99 6.504 -49.614 23.125 1.00 51.27 C ATOM 1010 CE LYS A 99 5.606 -48.377 23.133 1.00 56.25 C ATOM 1011 NZ LYS A 99 4.973 -48.088 24.458 1.00 46.38 N ATOM 1012 HZ1 LYS A 99 4.383 -48.896 24.743 1.00 0.00 H ATOM 1013 HZ2 LYS A 99 5.716 -47.932 25.169 1.00 0.00 H ATOM 1014 HZ3 LYS A 99 4.381 -47.236 24.380 1.00 0.00 H ATOM 1015 H LYS A 99 2.246 -51.656 24.775 1.00 0.00 H ATOM 1016 N ASP A 100 5.728 -54.222 24.335 1.00 45.50 N ATOM 1017 CA ASP A 100 6.693 -54.971 25.122 1.00 43.37 C ATOM 1018 C ASP A 100 7.939 -54.118 25.345 1.00 51.73 C ATOM 1019 O ASP A 100 8.123 -53.091 24.691 1.00 51.07 O ATOM 1020 CB ASP A 100 7.045 -56.290 24.428 1.00 44.35 C ATOM 1021 CG ASP A 100 7.872 -57.211 25.304 1.00 47.96 C ATOM 1022 OD1 ASP A 100 7.327 -57.726 26.304 1.00 50.45 O ATOM 1023 OD2 ASP A 100 9.061 -57.427 24.989 1.00 46.94 O ATOM 1024 H ASP A 100 5.614 -54.438 23.324 1.00 0.00 H ATOM 1025 N GLU A 101 8.776 -54.546 26.285 1.00 61.21 N ATOM 1026 CA GLU A 101 10.008 -53.842 26.635 1.00 62.75 C ATOM 1027 C GLU A 101 10.867 -53.467 25.428 1.00 61.41 C ATOM 1028 O GLU A 101 11.508 -52.416 25.421 1.00 63.10 O ATOM 1029 CB GLU A 101 10.836 -54.701 27.597 1.00 75.20 C ATOM 1030 CG GLU A 101 11.016 -56.150 27.140 1.00 73.26 C ATOM 1031 CD GLU A 101 11.878 -56.969 28.084 1.00 69.47 C ATOM 1032 OE1 GLU A 101 12.512 -56.380 28.984 1.00 72.68 O ATOM 1033 OE2 GLU A 101 11.919 -58.208 27.924 1.00 66.88 O ATOM 1034 H GLU A 101 8.543 -55.422 26.795 1.00 0.00 H ATOM 1035 N ASP A 102 10.873 -54.323 24.409 1.00 55.66 N ATOM 1036 CA ASP A 102 11.783 -54.157 23.278 1.00 48.90 C ATOM 1037 C ASP A 102 11.185 -53.342 22.130 1.00 50.47 C ATOM 1038 O ASP A 102 11.881 -53.038 21.162 1.00 51.26 O ATOM 1039 CB ASP A 102 12.223 -55.529 22.759 1.00 47.59 C ATOM 1040 CG ASP A 102 11.057 -56.393 22.328 1.00 47.87 C ATOM 1041 OD1 ASP A 102 9.905 -56.042 22.651 1.00 51.46 O ATOM 1042 OD2 ASP A 102 11.295 -57.429 21.672 1.00 46.09 O ATOM 1043 H ASP A 102 10.215 -55.128 24.418 1.00 0.00 H ATOM 1044 N GLY A 103 9.906 -52.992 22.238 1.00 48.66 N ATOM 1045 CA GLY A 103 9.250 -52.165 21.237 1.00 38.68 C ATOM 1046 C GLY A 103 8.293 -52.925 20.337 1.00 35.44 C ATOM 1047 O GLY A 103 7.501 -52.321 19.613 1.00 37.36 O ATOM 1048 H GLY A 103 9.360 -53.319 23.061 1.00 0.00 H ATOM 1049 N PHE A 104 8.372 -54.251 20.371 1.00 31.95 N ATOM 1050 CA PHE A 104 7.443 -55.095 19.629 1.00 30.38 C ATOM 1051 C PHE A 104 6.103 -55.175 20.341 1.00 32.94 C ATOM 1052 O PHE A 104 6.005 -54.851 21.525 1.00 30.68 O ATOM 1053 CB PHE A 104 8.000 -56.510 19.464 1.00 35.71 C ATOM 1054 CG PHE A 104 9.120 -56.616 18.478 1.00 35.68 C ATOM 1055 CD1 PHE A 104 8.861 -56.678 17.122 1.00 30.09 C ATOM 1056 CD2 PHE A 104 10.433 -56.678 18.907 1.00 38.71 C ATOM 1057 CE1 PHE A 104 9.891 -56.784 16.213 1.00 31.04 C ATOM 1058 CE2 PHE A 104 11.469 -56.785 18.003 1.00 34.90 C ATOM 1059 CZ PHE A 104 11.198 -56.838 16.653 1.00 31.34 C ATOM 1060 H PHE A 104 9.117 -54.699 20.942 1.00 0.00 H ATOM 1061 N VAL A 105 5.076 -55.603 19.611 1.00 28.10 N ATOM 1062 CA VAL A 105 3.858 -56.112 20.234 1.00 27.80 C ATOM 1063 C VAL A 105 3.811 -57.619 19.958 1.00 27.42 C ATOM 1064 O VAL A 105 4.004 -58.058 18.824 1.00 27.17 O ATOM 1065 CB VAL A 105 2.576 -55.392 19.723 1.00 28.26 C ATOM 1066 CG1 VAL A 105 2.608 -53.916 20.136 1.00 30.12 C ATOM 1067 CG2 VAL A 105 2.392 -55.551 18.207 1.00 44.29 C ATOM 1068 H VAL A 105 5.143 -55.574 18.574 1.00 0.00 H ATOM 1069 N TYR A 106 3.591 -58.405 21.010 1.00 34.64 N ATOM 1070 CA TYR A 106 3.647 -59.863 20.917 1.00 33.23 C ATOM 1071 C TYR A 106 2.259 -60.492 20.939 1.00 33.93 C ATOM 1072 O TYR A 106 1.452 -60.213 21.826 1.00 39.35 O ATOM 1073 CB TYR A 106 4.502 -60.435 22.055 1.00 38.67 C ATOM 1074 CG TYR A 106 5.986 -60.253 21.831 1.00 37.12 C ATOM 1075 CD1 TYR A 106 6.628 -59.086 22.220 1.00 38.44 C ATOM 1076 CD2 TYR A 106 6.743 -61.243 21.215 1.00 36.66 C ATOM 1077 CE1 TYR A 106 7.983 -58.910 22.011 1.00 38.42 C ATOM 1078 CE2 TYR A 106 8.100 -61.075 21.000 1.00 44.31 C ATOM 1079 CZ TYR A 106 8.714 -59.907 21.401 1.00 39.52 C ATOM 1080 OH TYR A 106 10.064 -59.737 21.190 1.00 49.48 O ATOM 1081 HH TYR A 106 10.342 -58.851 21.534 1.00 0.00 H ATOM 1082 H TYR A 106 3.372 -57.968 21.928 1.00 0.00 H ATOM 1083 N MET A 107 1.998 -61.342 19.948 1.00 26.90 N ATOM 1084 CA MET A 107 0.729 -62.056 19.837 1.00 26.97 C ATOM 1085 C MET A 107 0.942 -63.564 19.804 1.00 27.43 C ATOM 1086 O MET A 107 2.032 -64.042 19.489 1.00 27.63 O ATOM 1087 CB MET A 107 -0.027 -61.620 18.583 1.00 26.88 C ATOM 1088 CG MET A 107 -0.600 -60.221 18.672 1.00 26.80 C ATOM 1089 SD MET A 107 -1.638 -59.802 17.263 1.00 58.88 S ATOM 1090 CE MET A 107 -1.903 -58.059 17.558 1.00 27.80 C ATOM 1091 H MET A 107 2.727 -61.504 19.224 1.00 0.00 H ATOM 1092 N THR A 108 -0.114 -64.301 20.131 1.00 30.88 N ATOM 1093 CA THR A 108 -0.072 -65.758 20.149 1.00 31.66 C ATOM 1094 C THR A 108 -1.388 -66.318 19.630 1.00 32.06 C ATOM 1095 O THR A 108 -2.448 -65.962 20.138 1.00 37.25 O ATOM 1096 CB THR A 108 0.188 -66.295 21.571 1.00 33.22 C ATOM 1097 OG1 THR A 108 1.406 -65.737 22.082 1.00 36.96 O ATOM 1098 CG2 THR A 108 0.285 -67.815 21.572 1.00 33.28 C ATOM 1099 HG1 THR A 108 1.569 -66.084 22.995 1.00 0.00 H ATOM 1100 H THR A 108 -1.002 -63.822 20.383 1.00 0.00 H ATOM 1101 N TYR A 109 -1.331 -67.189 18.625 1.00 36.48 N ATOM 1102 CA TYR A 109 -2.554 -67.778 18.086 1.00 37.28 C ATOM 1103 C TYR A 109 -2.801 -69.171 18.666 1.00 35.35 C ATOM 1104 O TYR A 109 -1.911 -70.023 18.673 1.00 35.04 O ATOM 1105 CB TYR A 109 -2.518 -67.819 16.551 1.00 42.07 C ATOM 1106 CG TYR A 109 -1.408 -68.627 15.921 1.00 36.88 C ATOM 1107 CD1 TYR A 109 -0.185 -68.045 15.623 1.00 45.49 C ATOM 1108 CD2 TYR A 109 -1.602 -69.957 15.577 1.00 36.58 C ATOM 1109 CE1 TYR A 109 0.826 -68.771 15.029 1.00 47.28 C ATOM 1110 CE2 TYR A 109 -0.598 -70.692 14.981 1.00 38.22 C ATOM 1111 CZ TYR A 109 0.614 -70.093 14.709 1.00 43.46 C ATOM 1112 OH TYR A 109 1.624 -70.813 14.116 1.00 47.45 O ATOM 1113 HH TYR A 109 2.416 -70.231 13.996 1.00 0.00 H ATOM 1114 H TYR A 109 -0.409 -67.452 18.221 1.00 0.00 H ATOM 1115 N ALA A 110 -4.019 -69.376 19.169 1.00 28.48 N ATOM 1116 CA ALA A 110 -4.402 -70.637 19.806 1.00 27.76 C ATOM 1117 C ALA A 110 -5.828 -71.056 19.449 1.00 27.63 C ATOM 1118 O ALA A 110 -6.749 -70.249 19.516 1.00 27.80 O ATOM 1119 CB ALA A 110 -4.264 -70.516 21.317 1.00 27.89 C ATOM 1120 H ALA A 110 -4.722 -68.612 19.106 1.00 0.00 H ATOM 1121 N SER A 111 -6.006 -72.323 19.083 1.00 27.78 N ATOM 1122 CA SER A 111 -7.340 -72.863 18.835 1.00 27.87 C ATOM 1123 C SER A 111 -8.099 -72.983 20.151 1.00 27.95 C ATOM 1124 O SER A 111 -9.324 -72.845 20.192 1.00 28.36 O ATOM 1125 CB SER A 111 -7.261 -74.223 18.140 1.00 28.23 C ATOM 1126 OG SER A 111 -6.560 -75.166 18.927 1.00 31.13 O ATOM 1127 HG SER A 111 -5.639 -74.841 19.087 1.00 0.00 H ATOM 1128 H SER A 111 -5.178 -72.942 18.971 1.00 0.00 H ATOM 1129 N GLN A 112 -7.361 -73.243 21.225 1.00 30.78 N ATOM 1130 CA GLN A 112 -7.933 -73.244 22.563 1.00 29.44 C ATOM 1131 C GLN A 112 -6.845 -73.098 23.619 1.00 30.12 C ATOM 1132 O GLN A 112 -5.728 -73.590 23.452 1.00 33.44 O ATOM 1133 CB GLN A 112 -8.737 -74.521 22.809 1.00 30.93 C ATOM 1134 CG GLN A 112 -7.926 -75.801 22.820 1.00 34.00 C ATOM 1135 CD GLN A 112 -8.708 -76.952 23.408 1.00 37.42 C ATOM 1136 OE1 GLN A 112 -9.451 -77.636 22.706 1.00 39.14 O ATOM 1137 NE2 GLN A 112 -8.556 -77.162 24.710 1.00 38.86 N ATOM 1138 HE22 GLN A 112 -7.916 -76.557 25.263 1.00 0.00 H ATOM 1139 HE21 GLN A 112 -9.077 -77.931 25.177 1.00 0.00 H ATOM 1140 H GLN A 112 -6.349 -73.451 21.106 1.00 0.00 H ATOM 1141 N GLU A 113 -7.182 -72.409 24.702 1.00 28.36 N ATOM 1142 CA GLU A 113 -6.277 -72.253 25.831 1.00 28.71 C ATOM 1143 C GLU A 113 -7.074 -72.050 27.111 1.00 29.33 C ATOM 1144 O GLU A 113 -8.137 -71.433 27.097 1.00 29.54 O ATOM 1145 CB GLU A 113 -5.327 -71.077 25.607 1.00 30.95 C ATOM 1146 CG GLU A 113 -4.528 -70.699 26.842 1.00 38.61 C ATOM 1147 CD GLU A 113 -3.381 -69.755 26.535 1.00 32.24 C ATOM 1148 OE1 GLU A 113 -3.296 -69.270 25.387 1.00 33.99 O ATOM 1149 OE2 GLU A 113 -2.561 -69.504 27.444 1.00 31.70 O ATOM 1150 H GLU A 113 -8.122 -71.967 24.745 1.00 0.00 H ATOM 1151 N THR A 114 -6.552 -72.580 28.212 1.00 31.61 N ATOM 1152 CA THR A 114 -7.182 -72.440 29.519 1.00 37.94 C ATOM 1153 C THR A 114 -6.221 -71.708 30.448 1.00 38.14 C ATOM 1154 O THR A 114 -5.020 -71.980 30.456 1.00 34.69 O ATOM 1155 CB THR A 114 -7.578 -73.822 30.106 1.00 41.75 C ATOM 1156 OG1 THR A 114 -8.725 -74.323 29.408 1.00 47.71 O ATOM 1157 CG2 THR A 114 -7.905 -73.737 31.597 1.00 36.36 C ATOM 1158 HG1 THR A 114 -8.508 -74.421 28.447 1.00 0.00 H ATOM 1159 H THR A 114 -5.662 -73.114 28.139 1.00 0.00 H ATOM 1160 N PHE A 115 -6.764 -70.765 31.213 1.00 55.02 N ATOM 1161 CA PHE A 115 -5.976 -69.948 32.129 1.00 59.14 C ATOM 1162 C PHE A 115 -6.335 -70.257 33.579 1.00 60.34 C ATOM 1163 O PHE A 115 -6.877 -69.412 34.290 1.00 62.86 O ATOM 1164 CB PHE A 115 -6.197 -68.465 31.830 1.00 57.99 C ATOM 1165 CG PHE A 115 -5.938 -68.095 30.398 1.00 56.12 C ATOM 1166 CD1 PHE A 115 -6.924 -68.257 29.438 1.00 54.70 C ATOM 1167 CD2 PHE A 115 -4.708 -67.593 30.010 1.00 58.90 C ATOM 1168 CE1 PHE A 115 -6.688 -67.923 28.119 1.00 55.82 C ATOM 1169 CE2 PHE A 115 -4.466 -67.256 28.693 1.00 61.80 C ATOM 1170 CZ PHE A 115 -5.457 -67.422 27.746 1.00 57.92 C ATOM 1171 H PHE A 115 -7.790 -70.604 31.156 1.00 0.00 H TER 1172 PHE A 115 HETATM 1173 O HOH 1 12.115 -59.410 26.362 1.00 46.49 O HETATM 1174 O HOH 2 -2.365 -70.183 29.663 1.00 35.38 O HETATM 1175 O HOH 3 3.657 -56.920 23.893 1.00 32.38 O HETATM 1176 O HOH 4 11.547 -47.030 4.301 1.00 55.39 O HETATM 1177 O HOH 5 -10.903 -72.649 17.544 1.00 36.51 O HETATM 1178 O HOH 6 -8.604 -49.728 8.254 1.00 44.50 O HETATM 1179 O HOH 7 -10.948 -61.594 11.611 1.00 37.24 O HETATM 1180 O HOH 8 -7.751 -75.903 26.854 1.00 37.47 O HETATM 1181 O HOH 9 -12.884 -79.421 14.422 1.00 31.36 O HETATM 1182 O HOH 10 -5.673 -77.695 12.225 1.00 32.01 O HETATM 1183 O HOH 11 -6.399 -45.392 16.903 1.00 39.80 O HETATM 1184 O HOH 12 -8.896 -47.565 11.791 1.00 31.36 O HETATM 1185 O HOH 13 18.714 -57.022 15.223 1.00 41.69 O HETATM 1186 O HOH 14 -11.123 -64.916 17.392 1.00 31.39 O HETATM 1187 O HOH 15 1.489 -69.562 28.798 1.00 50.68 O HETATM 1188 O HOH 16 20.520 -57.894 25.788 1.00 37.54 O HETATM 1189 O HOH 17 -9.396 -63.506 19.236 1.00 35.28 O HETATM 1190 O HOH 18 4.867 -69.785 15.064 1.00 37.24 O HETATM 1191 O HOH 19 -11.468 -69.011 18.078 1.00 44.63 O HETATM 1192 O HOH 20 -8.414 -67.298 4.533 1.00 40.36 O HETATM 1193 O HOH 21 -8.786 -57.771 6.552 1.00 55.49 O HETATM 1194 O HOH 22 13.471 -62.969 27.589 1.00 51.19 O HETATM 1195 O HOH 23 9.422 -69.919 5.676 1.00 43.11 O HETATM 1196 O HOH 24 -10.919 -58.026 7.536 1.00 38.84 O HETATM 1197 O HOH 25 -11.124 -47.541 13.635 1.00 37.85 O HETATM 1198 O HOH 26 -9.063 -46.286 2.094 1.00 44.57 O HETATM 1199 O HOH 27 9.654 -63.796 10.205 1.00 31.36 O HETATM 1200 O HOH 28 14.839 -71.963 4.979 1.00 48.02 O HETATM 1201 N GLU A 29 11.759 -67.879 8.762 1.00 0.24 N HETATM 1202 CA GLU A 29 13.055 -67.464 8.239 1.00 0.07 C HETATM 1203 C GLU A 29 13.498 -66.126 8.833 1.00 0.23 C HETATM 1204 O GLU A 29 14.489 -65.542 8.392 1.00 -0.39 O HETATM 1205 N GLU A 29 12.760 -65.654 9.837 1.00 -0.26 N HETATM 1206 CA GLU A 29 13.058 -64.389 10.507 1.00 0.14 C HETATM 1207 C GLU A 29 13.120 -63.228 9.516 1.00 0.21 C HETATM 1208 O GLU A 29 14.196 -62.713 9.211 1.00 -0.39 O HETATM 1209 N GLU A 29 11.958 -62.827 9.013 1.00 -0.26 N HETATM 1210 CA GLU A 29 11.867 -61.681 8.115 1.00 0.13 C HETATM 1211 C GLU A 29 10.440 -61.144 8.088 1.00 0.20 C HETATM 1212 O GLU A 29 9.485 -61.861 8.389 1.00 -0.39 O HETATM 1213 N GLU A 29 10.309 -59.876 7.717 1.00 -0.26 N HETATM 1214 CA GLU A 29 9.059 -59.144 7.872 1.00 0.14 C HETATM 1215 C GLU A 29 8.007 -59.445 6.816 1.00 0.21 C HETATM 1216 O GLU A 29 8.322 -59.722 5.660 1.00 -0.39 O HETATM 1217 N GLU A 29 6.750 -59.386 7.245 1.00 -0.26 N HETATM 1218 CA GLU A 29 5.611 -59.352 6.341 1.00 0.13 C HETATM 1219 C GLU A 29 5.073 -57.931 6.341 1.00 0.20 C HETATM 1220 O GLU A 29 4.505 -57.476 7.333 1.00 -0.39 O HETATM 1221 N GLU A 29 5.269 -57.228 5.231 1.00 -0.26 N HETATM 1222 CA GLU A 29 4.846 -55.838 5.121 1.00 0.15 C HETATM 1223 C GLU A 29 3.448 -55.701 4.532 1.00 0.21 C HETATM 1224 O GLU A 29 3.237 -55.972 3.350 1.00 -0.39 O HETATM 1225 N GLU A 29 2.500 -55.277 5.363 1.00 -0.26 N HETATM 1226 CA GLU A 29 1.123 -55.080 4.921 1.00 0.13 C HETATM 1227 C GLU A 29 0.874 -53.574 4.841 1.00 0.20 C HETATM 1228 O GLU A 29 1.528 -52.804 5.540 1.00 -0.39 O HETATM 1229 N GLU A 29 -0.063 -53.154 3.994 1.00 -0.26 N HETATM 1230 CA GLU A 29 -0.329 -51.730 3.795 1.00 0.13 C HETATM 1231 C GLU A 29 -1.787 -51.463 3.441 1.00 0.20 C HETATM 1232 O GLU A 29 -2.422 -52.261 2.751 1.00 -0.39 O HETATM 1233 N GLU A 29 -2.302 -50.331 3.916 1.00 -0.27 N HETATM 1234 CA GLU A 29 -3.635 -49.858 3.548 1.00 0.10 C HETATM 1235 C GLU A 29 -4.715 -50.894 3.844 1.00 0.06 C HETATM 1236 O GLU A 29 -5.578 -50.678 4.696 1.00 -0.57 O HETATM 1237 OXT GLU A 29 -4.743 -51.965 3.236 1.00 -0.57 O HETATM 1238 CB GLU A 29 -3.655 -49.472 2.065 1.00 0.01 C HETATM 1239 CG GLU A 29 -4.906 -49.882 1.325 1.00 -0.05 C HETATM 1240 CD1 GLU A 29 -4.996 -51.126 0.713 1.00 -0.07 C HETATM 1241 CE1 GLU A 29 -6.135 -51.505 0.032 1.00 -0.04 C HETATM 1242 CZ GLU A 29 -7.200 -50.636 -0.050 1.00 0.08 C HETATM 1243 CE2 GLU A 29 -7.133 -49.393 0.544 1.00 -0.04 C HETATM 1244 CD2 GLU A 29 -5.990 -49.022 1.225 1.00 -0.07 C HETATM 1245 H66 GLU A 29 -5.939 -48.044 1.689 1.00 0.05 H HETATM 1246 H68 GLU A 29 -7.973 -48.711 0.477 1.00 0.05 H HETATM 1247 OH GLU A 29 -8.334 -51.013 -0.730 1.00 -0.34 O HETATM 1248 H69 GLU A 29 -8.218 -51.890 -1.076 1.00 0.25 H HETATM 1249 H67 GLU A 29 -6.191 -52.481 -0.436 1.00 0.05 H HETATM 1250 H65 GLU A 29 -4.157 -51.810 0.771 1.00 0.05 H HETATM 1251 H63 GLU A 29 -2.794 -49.950 1.575 1.00 0.04 H HETATM 1252 H64 GLU A 29 -3.557 -48.379 1.994 1.00 0.04 H HETATM 1253 H62 GLU A 29 -3.855 -48.960 4.144 1.00 0.07 H HETATM 1254 H61 GLU A 29 -1.756 -49.783 4.549 1.00 0.19 H HETATM 1255 CB GLU A 29 0.573 -51.169 2.692 1.00 0.00 C HETATM 1256 CG GLU A 29 1.272 -49.858 3.045 1.00 0.04 C HETATM 1257 CD GLU A 29 0.313 -48.773 3.500 1.00 0.17 C HETATM 1258 OE1 GLU A 29 -0.808 -48.668 3.002 1.00 -0.40 O HETATM 1259 NE2 GLU A 29 0.751 -47.962 4.457 1.00 -0.30 N HETATM 1260 H59 GLU A 29 0.164 -47.228 4.798 1.00 0.18 H HETATM 1261 H60 GLU A 29 1.668 -48.086 4.837 1.00 0.18 H HETATM 1262 H57 GLU A 29 1.810 -49.498 2.156 1.00 0.05 H HETATM 1263 H58 GLU A 29 1.990 -50.052 3.855 1.00 0.05 H HETATM 1264 H55 GLU A 29 -0.045 -50.998 1.798 1.00 0.03 H HETATM 1265 H56 GLU A 29 1.345 -51.919 2.466 1.00 0.03 H HETATM 1266 H54 GLU A 29 -0.101 -51.206 4.735 1.00 0.08 H HETATM 1267 H53 GLU A 29 -0.597 -53.827 3.482 1.00 0.19 H HETATM 1268 CB GLU A 29 0.076 -55.758 5.868 1.00 -0.01 C HETATM 1269 CG1 GLU A 29 0.615 -57.050 6.512 1.00 -0.06 C HETATM 1270 H47 GLU A 29 -0.157 -57.484 7.165 1.00 0.02 H HETATM 1271 H48 GLU A 29 1.510 -56.817 7.107 1.00 0.02 H HETATM 1272 H49 GLU A 29 0.876 -57.771 5.724 1.00 0.02 H HETATM 1273 CG2 GLU A 29 -0.392 -54.807 6.952 1.00 -0.06 C HETATM 1274 H50 GLU A 29 -0.776 -53.886 6.490 1.00 0.02 H HETATM 1275 H51 GLU A 29 0.452 -54.561 7.614 1.00 0.02 H HETATM 1276 H52 GLU A 29 -1.191 -55.284 7.538 1.00 0.02 H HETATM 1277 H46 GLU A 29 -0.796 -56.028 5.254 1.00 0.03 H HETATM 1278 H45 GLU A 29 1.010 -55.518 3.918 1.00 0.08 H HETATM 1279 H44 GLU A 29 2.737 -55.088 6.316 1.00 0.19 H HETATM 1280 CB GLU A 29 5.840 -55.052 4.268 1.00 0.08 C HETATM 1281 CG GLU A 29 5.410 -53.615 4.055 1.00 0.18 C HETATM 1282 OD1 GLU A 29 5.703 -52.740 4.869 1.00 -0.40 O HETATM 1283 ND2 GLU A 29 4.706 -53.366 2.957 1.00 -0.30 N HETATM 1284 H42 GLU A 29 4.394 -52.436 2.763 1.00 0.18 H HETATM 1285 H43 GLU A 29 4.487 -54.109 2.324 1.00 0.18 H HETATM 1286 H40 GLU A 29 5.929 -55.543 3.288 1.00 0.06 H HETATM 1287 H41 GLU A 29 6.818 -55.057 4.771 1.00 0.06 H HETATM 1288 H39 GLU A 29 4.834 -55.406 6.132 1.00 0.08 H HETATM 1289 H38 GLU A 29 5.718 -57.664 4.451 1.00 0.19 H HETATM 1290 CB GLU A 29 4.504 -60.339 6.762 1.00 -0.01 C HETATM 1291 CG1 GLU A 29 3.251 -60.167 5.903 1.00 -0.06 C HETATM 1292 H32 GLU A 29 2.482 -60.884 6.228 1.00 0.02 H HETATM 1293 H33 GLU A 29 3.502 -60.351 4.848 1.00 0.02 H HETATM 1294 H34 GLU A 29 2.867 -59.142 6.015 1.00 0.02 H HETATM 1295 CG2 GLU A 29 5.013 -61.762 6.675 1.00 -0.06 C HETATM 1296 H35 GLU A 29 5.913 -61.868 7.298 1.00 0.02 H HETATM 1297 H36 GLU A 29 5.260 -62.000 5.630 1.00 0.02 H HETATM 1298 H37 GLU A 29 4.235 -62.452 7.034 1.00 0.02 H HETATM 1299 H31 GLU A 29 4.235 -60.129 7.808 1.00 0.03 H HETATM 1300 H30 GLU A 29 5.948 -59.617 5.328 1.00 0.08 H HETATM 1301 H29 GLU A 29 6.580 -59.364 8.230 1.00 0.19 H HETATM 1302 CB GLU A 29 9.348 -57.646 7.860 1.00 0.00 C HETATM 1303 CG GLU A 29 10.341 -57.249 8.883 1.00 -0.04 C HETATM 1304 CD1 GLU A 29 11.690 -57.139 8.718 1.00 0.02 C HETATM 1305 NE1 GLU A 29 12.279 -56.754 9.897 1.00 -0.29 N HETATM 1306 CE2 GLU A 29 11.305 -56.613 10.851 1.00 0.06 C HETATM 1307 CD2 GLU A 29 10.072 -56.916 10.246 1.00 -0.02 C HETATM 1308 CE3 GLU A 29 8.907 -56.845 11.014 1.00 -0.07 C HETATM 1309 CZ3 GLU A 29 9.010 -56.475 12.340 1.00 -0.08 C HETATM 1310 CH2 GLU A 29 10.251 -56.176 12.912 1.00 -0.08 C HETATM 1311 CZ2 GLU A 29 11.407 -56.240 12.187 1.00 -0.04 C HETATM 1312 H26 GLU A 29 12.367 -56.009 12.636 1.00 0.05 H HETATM 1313 H28 GLU A 29 10.296 -55.887 13.956 1.00 0.05 H HETATM 1314 H27 GLU A 29 8.114 -56.415 12.948 1.00 0.05 H HETATM 1315 H25 GLU A 29 7.942 -57.076 10.578 1.00 0.05 H HETATM 1316 H24 GLU A 29 13.287 -56.597 10.041 1.00 0.22 H HETATM 1317 H23 GLU A 29 12.222 -57.329 7.787 1.00 0.08 H HETATM 1318 H21 GLU A 29 8.410 -57.105 8.051 1.00 0.04 H HETATM 1319 H22 GLU A 29 9.735 -57.370 6.868 1.00 0.04 H HETATM 1320 H20 GLU A 29 8.636 -59.415 8.851 1.00 0.08 H HETATM 1321 H19 GLU A 29 11.096 -59.407 7.317 1.00 0.19 H HETATM 1322 CB GLU A 29 12.332 -62.058 6.705 1.00 -0.00 C HETATM 1323 CG GLU A 29 12.368 -60.896 5.715 1.00 0.00 C HETATM 1324 CD GLU A 29 13.227 -59.736 6.190 1.00 0.04 C HETATM 1325 OE1 GLU A 29 14.172 -59.970 6.974 1.00 -0.57 O HETATM 1326 OE2 GLU A 29 12.954 -58.588 5.780 1.00 -0.57 O HETATM 1327 H17 GLU A 29 11.341 -60.532 5.564 1.00 0.04 H HETATM 1328 H18 GLU A 29 12.771 -61.262 4.760 1.00 0.04 H HETATM 1329 H15 GLU A 29 11.647 -62.823 6.311 1.00 0.03 H HETATM 1330 H16 GLU A 29 13.346 -62.477 6.779 1.00 0.03 H HETATM 1331 H14 GLU A 29 12.528 -60.889 8.496 1.00 0.08 H HETATM 1332 H13 GLU A 29 11.124 -63.323 9.256 1.00 0.19 H HETATM 1333 CB GLU A 29 14.376 -64.490 11.283 1.00 0.04 C HETATM 1334 CG GLU A 29 14.687 -63.229 12.073 1.00 0.04 C HETATM 1335 OD1 GLU A 29 14.231 -63.121 13.230 1.00 -0.57 O HETATM 1336 OD2 GLU A 29 15.390 -62.347 11.536 1.00 -0.57 O HETATM 1337 H11 GLU A 29 15.193 -64.668 10.568 1.00 0.05 H HETATM 1338 H12 GLU A 29 14.309 -65.336 11.982 1.00 0.05 H HETATM 1339 H10 GLU A 29 12.249 -64.184 11.224 1.00 0.08 H HETATM 1340 H9 GLU A 29 11.971 -66.186 10.145 1.00 0.19 H HETATM 1341 CB GLU A 29 13.004 -67.370 6.712 1.00 0.02 C HETATM 1342 CG GLU A 29 12.843 -68.713 6.016 1.00 0.01 C HETATM 1343 CD GLU A 29 12.651 -68.576 4.518 1.00 0.04 C HETATM 1344 OE1 GLU A 29 12.907 -69.560 3.792 1.00 -0.57 O HETATM 1345 OE2 GLU A 29 12.240 -67.486 4.066 1.00 -0.57 O HETATM 1346 H7 GLU A 29 11.966 -69.225 6.438 1.00 0.04 H HETATM 1347 H8 GLU A 29 13.744 -69.316 6.202 1.00 0.04 H HETATM 1348 H5 GLU A 29 13.939 -66.909 6.362 1.00 0.04 H HETATM 1349 H6 GLU A 29 12.153 -66.731 6.433 1.00 0.04 H HETATM 1350 H4 GLU A 29 13.798 -68.226 8.517 1.00 0.11 H HETATM 1351 H1 GLU A 29 11.498 -68.762 8.351 1.00 0.20 H HETATM 1352 H2 GLU A 29 11.066 -67.184 8.533 1.00 0.20 H HETATM 1353 H3 GLU A 29 11.817 -67.979 9.763 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1201 1202 1351 1352 1353 CONECT 1202 1201 1203 1341 1350 CONECT 1203 1202 1204 1205 CONECT 1204 1203 CONECT 1205 1203 1206 1340 CONECT 1206 1205 1207 1333 1339 CONECT 1207 1206 1208 1209 CONECT 1208 1207 CONECT 1209 1207 1210 1332 CONECT 1210 1209 1211 1322 1331 CONECT 1211 1210 1212 1213 CONECT 1212 1211 CONECT 1213 1211 1214 1321 CONECT 1214 1213 1215 1302 1320 CONECT 1215 1214 1216 1217 CONECT 1216 1215 CONECT 1217 1215 1218 1301 CONECT 1218 1217 1219 1290 1300 CONECT 1219 1218 1220 1221 CONECT 1220 1219 CONECT 1221 1219 1222 1289 CONECT 1222 1221 1223 1280 1288 CONECT 1223 1222 1224 1225 CONECT 1224 1223 CONECT 1225 1223 1226 1279 CONECT 1226 1225 1227 1268 1278 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 1267 CONECT 1230 1229 1231 1255 1266 CONECT 1231 1230 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1254 CONECT 1234 1233 1235 1238 1253 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 CONECT 1238 1234 1239 1251 1252 CONECT 1239 1238 1240 1244 CONECT 1240 1239 1241 1250 CONECT 1241 1240 1242 1249 CONECT 1242 1241 1243 1247 CONECT 1243 1242 1244 1246 CONECT 1244 1239 1243 1245 CONECT 1245 1244 CONECT 1246 1243 CONECT 1247 1242 1248 CONECT 1248 1247 CONECT 1249 1241 CONECT 1250 1240 CONECT 1251 1238 CONECT 1252 1238 CONECT 1253 1234 CONECT 1254 1233 CONECT 1255 1230 1256 1264 1265 CONECT 1256 1255 1257 1262 1263 CONECT 1257 1256 1258 1259 CONECT 1258 1257 CONECT 1259 1257 1260 1261 CONECT 1260 1259 CONECT 1261 1259 CONECT 1262 1256 CONECT 1263 1256 CONECT 1264 1255 CONECT 1265 1255 CONECT 1266 1230 CONECT 1267 1229 CONECT 1268 1226 1269 1273 1277 CONECT 1269 1268 1270 1271 1272 CONECT 1270 1269 CONECT 1271 1269 CONECT 1272 1269 CONECT 1273 1268 1274 1275 1276 CONECT 1274 1273 CONECT 1275 1273 CONECT 1276 1273 CONECT 1277 1268 CONECT 1278 1226 CONECT 1279 1225 CONECT 1280 1222 1281 1286 1287 CONECT 1281 1280 1282 1283 CONECT 1282 1281 CONECT 1283 1281 1284 1285 CONECT 1284 1283 CONECT 1285 1283 CONECT 1286 1280 CONECT 1287 1280 CONECT 1288 1222 CONECT 1289 1221 CONECT 1290 1218 1291 1295 1299 CONECT 1291 1290 1292 1293 1294 CONECT 1292 1291 CONECT 1293 1291 CONECT 1294 1291 CONECT 1295 1290 1296 1297 1298 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1295 CONECT 1299 1290 CONECT 1300 1218 CONECT 1301 1217 CONECT 1302 1214 1303 1318 1319 CONECT 1303 1302 1304 1307 CONECT 1304 1303 1305 1317 CONECT 1305 1304 1306 1316 CONECT 1306 1305 1307 1311 CONECT 1307 1303 1306 1308 CONECT 1308 1307 1309 1315 CONECT 1309 1308 1310 1314 CONECT 1310 1309 1311 1313 CONECT 1311 1306 1310 1312 CONECT 1312 1311 CONECT 1313 1310 CONECT 1314 1309 CONECT 1315 1308 CONECT 1316 1305 CONECT 1317 1304 CONECT 1318 1302 CONECT 1319 1302 CONECT 1320 1214 CONECT 1321 1213 CONECT 1322 1210 1323 1329 1330 CONECT 1323 1322 1324 1327 1328 CONECT 1324 1323 1325 1326 CONECT 1325 1324 CONECT 1326 1324 CONECT 1327 1323 CONECT 1328 1323 CONECT 1329 1322 CONECT 1330 1322 CONECT 1331 1210 CONECT 1332 1209 CONECT 1333 1206 1334 1337 1338 CONECT 1334 1333 1335 1336 CONECT 1335 1334 CONECT 1336 1334 CONECT 1337 1333 CONECT 1338 1333 CONECT 1339 1206 CONECT 1340 1205 CONECT 1341 1202 1342 1348 1349 CONECT 1342 1341 1343 1346 1347 CONECT 1343 1342 1344 1345 CONECT 1344 1343 CONECT 1345 1343 CONECT 1346 1342 CONECT 1347 1342 CONECT 1348 1341 CONECT 1349 1341 CONECT 1350 1202 CONECT 1351 1201 CONECT 1352 1201 CONECT 1353 1201 MASTER 0 0 0 0 0 0 0 0 1352 1 157 9 END
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Entry Information
PDB ID
5dpw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Microtubule-associated proteins 1A/1B light chain 3C
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.19(Å)
Affinity (Kd/Ki/IC50)
Kd=4.22uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) EMBO Rep. Vol. 18: pp. 1382-1396
Ligand Properties
Formula
C
5
3
H
7
3
N
1
2
O
1
9
Molecular Weight
1182.220
Exact Mass
1181.510
No. of atoms
157
No. of bonds
159
Polar Surface Area
531.84
LOGP Value
0.49 (
Computed with XLOGP3
)
0.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 41
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 3
Canonical SMILES
NC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCC(=O)N)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[NH3+])CC(=O)O)CCC(=O)O
InChI String
InChI=1S/C53H72N12O19/c1-24(2)43(51(81)59-32(14-16-38(55)67)47(77)63-37(53(83)84)19-26-9-11-28(66)12-10-26)65-50(80)35(21-39(56)68)62-52(82)44(25(3)4)64-49(79)34(20-27-23-57-31-8-6-5-7-29(27)31)61-46(76)33(15-18-41(71)72)58-48(78)36(22-42(73)74)60-45(75)30(54)13-17-40(69)70/h5-12,23-25,30,32-37,43-44,57,66H,13-22,54H2,1-4H3,(H2,55,67)(H2,56,68)(H,58,78)(H,59,81)(H,60,75)(H,61,76)(H,62,82)(H,63,77)(H,64,79)(H,65,80)(H,69,70)(H,71,72)(H,73,74)(H,83,84)/p+1/t30-,32-,33-,34-,35-,36-,37-,43-,44-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q9BXW4
Q9Y4G2
Entrez Gene ID
NCBI Entrez Gene ID:
440738
9842
ASD
Information of known allosteric effects of PDB entries
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