Browse entries in the PDBbind-CN Database
HEADER 5TZG_COMPLEX COMPND 5TZG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 75 LYS LEU VAL LEU ASP LEU GLU ARG LEU ALA HIS VAL PRO SEQRES 2 A 75 GLN GLU LYS ALA GLY PRO LEU GLN ARG TYR ALA ALA THR SEQRES 3 A 75 ILE GLN SER GLN ARG GLY ALA TYR ASN GLY LYS VAL LEU SEQRES 4 A 75 SER ILE ARG GLN ASP ASP LEU ARG THR LEU ALA VAL ILE SEQRES 5 A 75 TYR ASP GLN SER PRO SER VAL LEU THR GLU GLN LEU ILE SEQRES 6 A 75 SER TRP GLY VAL LEU ASP ALA ASP ALA ARG SEQRES 1 C 76 PRO LYS LEU VAL LEU ASP LEU GLU ARG LEU ALA HIS VAL SEQRES 2 C 76 PRO GLN GLU LYS ALA GLY PRO LEU GLN ARG TYR ALA ALA SEQRES 3 C 76 THR ILE GLN SER GLN ARG GLY ALA TYR ASN GLY LYS VAL SEQRES 4 C 76 LEU SER ILE ARG GLN ASP ASP LEU ARG THR LEU ALA VAL SEQRES 5 C 76 ILE TYR ASP GLN SER PRO SER VAL LEU THR GLU GLN LEU SEQRES 6 C 76 ILE SER TRP GLY VAL LEU ASP ALA ASP ALA ARG HET ZN A 1 1 HET ZN A 2 1 HET C A 2E 70 ATOM 1 N LYS A 84 14.717 8.787 4.061 1.00 45.85 N ATOM 2 CA LYS A 84 15.848 8.858 4.983 1.00 58.07 C ATOM 3 C LYS A 84 17.026 7.938 4.607 1.00 61.28 C ATOM 4 O LYS A 84 16.918 6.709 4.658 1.00 72.87 O ATOM 5 CB LYS A 84 15.378 8.549 6.410 1.00 63.50 C ATOM 6 CG LYS A 84 15.158 9.801 7.270 1.00 70.55 C ATOM 7 CD LYS A 84 15.973 10.989 6.743 1.00 75.26 C ATOM 8 CE LYS A 84 15.861 12.220 7.632 1.00 83.20 C ATOM 9 NZ LYS A 84 14.504 12.841 7.581 1.00 90.67 N ATOM 10 HZ1 LYS A 84 14.293 13.130 6.605 1.00 0.00 H ATOM 11 HZ2 LYS A 84 13.796 12.150 7.900 1.00 0.00 H ATOM 12 HZ3 LYS A 84 14.482 13.674 8.203 1.00 0.00 H ATOM 13 HN3 LYS A 84 14.351 7.814 4.038 1.00 0.00 H ATOM 14 HN2 LYS A 84 15.030 9.064 3.109 1.00 0.00 H ATOM 15 HN1 LYS A 84 13.968 9.433 4.382 1.00 0.00 H ATOM 16 N LEU A 85 18.144 8.550 4.221 1.00 41.05 N ATOM 17 CA LEU A 85 19.380 7.827 3.999 1.00 38.57 C ATOM 18 C LEU A 85 20.361 8.066 5.156 1.00 49.79 C ATOM 19 O LEU A 85 21.204 8.964 5.104 1.00 54.11 O ATOM 20 CB LEU A 85 20.006 8.229 2.667 1.00 39.12 C ATOM 21 CG LEU A 85 19.241 7.846 1.398 1.00 54.81 C ATOM 22 CD1 LEU A 85 20.030 8.245 0.169 1.00 69.86 C ATOM 23 CD2 LEU A 85 18.956 6.359 1.352 1.00 46.13 C ATOM 24 H LEU A 85 18.130 9.579 4.074 1.00 0.00 H ATOM 25 N VAL A 86 20.235 7.246 6.198 1.00 47.01 N ATOM 26 CA VAL A 86 21.099 7.304 7.376 1.00 40.21 C ATOM 27 C VAL A 86 22.205 6.242 7.357 1.00 42.72 C ATOM 28 O VAL A 86 21.933 5.038 7.321 1.00 44.02 O ATOM 29 CB VAL A 86 20.281 7.135 8.669 1.00 38.43 C ATOM 30 CG1 VAL A 86 21.182 7.247 9.898 1.00 37.64 C ATOM 31 CG2 VAL A 86 19.189 8.173 8.720 1.00 33.53 C ATOM 32 H VAL A 86 19.483 6.528 6.172 1.00 0.00 H ATOM 33 N LEU A 87 23.451 6.702 7.389 1.00 40.21 N ATOM 34 CA LEU A 87 24.602 5.816 7.399 1.00 37.69 C ATOM 35 C LEU A 87 25.035 5.507 8.824 1.00 46.10 C ATOM 36 O LEU A 87 25.195 6.427 9.621 1.00 47.27 O ATOM 37 CB LEU A 87 25.770 6.451 6.655 1.00 31.31 C ATOM 38 CG LEU A 87 25.525 7.014 5.263 1.00 32.10 C ATOM 39 CD1 LEU A 87 26.831 7.549 4.747 1.00 30.89 C ATOM 40 CD2 LEU A 87 24.984 5.949 4.335 1.00 35.58 C ATOM 41 H LEU A 87 23.607 7.730 7.407 1.00 0.00 H ATOM 42 N ASP A 88 25.242 4.226 9.136 1.00 47.08 N ATOM 43 CA ASP A 88 25.884 3.838 10.391 1.00 46.50 C ATOM 44 C ASP A 88 27.405 3.903 10.216 1.00 48.90 C ATOM 45 O ASP A 88 28.025 2.960 9.736 1.00 48.35 O ATOM 46 CB ASP A 88 25.449 2.432 10.823 1.00 49.10 C ATOM 47 CG ASP A 88 25.919 2.074 12.234 1.00 61.82 C ATOM 48 OD1 ASP A 88 26.933 2.632 12.712 1.00 58.65 O ATOM 49 OD2 ASP A 88 25.263 1.220 12.870 1.00 75.07 O ATOM 50 H ASP A 88 24.939 3.486 8.471 1.00 0.00 H ATOM 51 N LEU A 89 28.000 5.021 10.610 1.00 47.41 N ATOM 52 CA LEU A 89 29.420 5.237 10.391 1.00 43.15 C ATOM 53 C LEU A 89 30.281 4.194 11.095 1.00 46.99 C ATOM 54 O LEU A 89 31.326 3.785 10.587 1.00 47.53 O ATOM 55 CB LEU A 89 29.801 6.641 10.851 1.00 49.12 C ATOM 56 CG LEU A 89 29.175 7.734 9.985 1.00 41.88 C ATOM 57 CD1 LEU A 89 29.731 9.096 10.349 1.00 45.07 C ATOM 58 CD2 LEU A 89 29.433 7.417 8.520 1.00 34.91 C ATOM 59 H LEU A 89 27.439 5.757 11.085 1.00 0.00 H ATOM 60 N GLU A 90 29.843 3.740 12.258 1.00 51.25 N ATOM 61 CA GLU A 90 30.670 2.815 13.010 1.00 55.91 C ATOM 62 C GLU A 90 30.732 1.452 12.334 1.00 53.23 C ATOM 63 O GLU A 90 31.799 0.833 12.279 1.00 52.76 O ATOM 64 CB GLU A 90 30.171 2.705 14.443 1.00 57.99 C ATOM 65 CG GLU A 90 30.964 3.614 15.347 1.00 65.28 C ATOM 66 CD GLU A 90 30.393 3.728 16.730 1.00 85.02 C ATOM 67 OE1 GLU A 90 29.289 3.197 16.954 1.00 97.47 O ATOM 68 OE2 GLU A 90 31.057 4.338 17.597 1.00 90.36 O ATOM 69 H GLU A 90 28.919 4.042 12.628 1.00 0.00 H ATOM 70 N ARG A 91 29.605 1.006 11.791 1.00 47.48 N ATOM 71 CA ARG A 91 29.586 -0.212 10.994 1.00 49.77 C ATOM 72 C ARG A 91 30.354 0.022 9.702 1.00 51.27 C ATOM 73 O ARG A 91 31.028 -0.874 9.192 1.00 53.43 O ATOM 74 CB ARG A 91 28.152 -0.665 10.695 1.00 51.35 C ATOM 75 CG ARG A 91 27.369 -0.984 11.949 1.00 62.51 C ATOM 76 CD ARG A 91 26.084 -1.738 11.671 1.00 74.46 C ATOM 77 NE ARG A 91 25.384 -2.033 12.917 1.00 82.95 N ATOM 78 CZ ARG A 91 24.240 -2.700 12.994 1.00 89.96 C ATOM 79 NH1 ARG A 91 23.655 -3.147 11.889 1.00 93.54 N ATOM 80 NH2 ARG A 91 23.683 -2.919 14.179 1.00 87.38 N ATOM 81 HE ARG A 91 25.811 -1.698 13.804 1.00 0.00 H ATOM 82 HH12 ARG A 91 22.758 -3.670 11.950 1.00 0.00 H ATOM 83 HH11 ARG A 91 24.094 -2.974 10.962 1.00 0.00 H ATOM 84 HH22 ARG A 91 22.786 -3.442 14.243 1.00 0.00 H ATOM 85 HH21 ARG A 91 24.144 -2.568 15.043 1.00 0.00 H ATOM 86 H ARG A 91 28.722 1.535 11.938 1.00 0.00 H ATOM 87 N LEU A 92 30.261 1.242 9.184 1.00 48.92 N ATOM 88 CA LEU A 92 30.926 1.597 7.934 1.00 45.97 C ATOM 89 C LEU A 92 32.435 1.488 8.039 1.00 47.84 C ATOM 90 O LEU A 92 33.101 1.100 7.072 1.00 47.26 O ATOM 91 CB LEU A 92 30.555 3.010 7.501 1.00 41.75 C ATOM 92 CG LEU A 92 30.978 3.384 6.075 1.00 44.42 C ATOM 93 CD1 LEU A 92 30.635 2.277 5.086 1.00 42.52 C ATOM 94 CD2 LEU A 92 30.368 4.716 5.622 1.00 43.48 C ATOM 95 H LEU A 92 29.700 1.962 9.682 1.00 0.00 H ATOM 96 N ALA A 93 32.967 1.830 9.211 1.00 47.18 N ATOM 97 CA ALA A 93 34.405 1.816 9.433 1.00 50.58 C ATOM 98 C ALA A 93 34.928 0.387 9.424 1.00 63.37 C ATOM 99 O ALA A 93 36.105 0.163 9.151 1.00 67.01 O ATOM 100 CB ALA A 93 34.757 2.511 10.751 1.00 46.10 C ATOM 101 H ALA A 93 32.338 2.115 9.989 1.00 0.00 H ATOM 102 N HIS A 94 34.048 -0.574 9.720 1.00 64.12 N ATOM 103 CA HIS A 94 34.433 -1.986 9.792 1.00 59.18 C ATOM 104 C HIS A 94 34.143 -2.778 8.543 1.00 55.79 C ATOM 105 O HIS A 94 34.338 -3.996 8.513 1.00 60.25 O ATOM 106 CB HIS A 94 33.740 -2.708 10.942 1.00 61.24 C ATOM 107 CG HIS A 94 34.362 -2.461 12.270 1.00 70.72 C ATOM 108 ND1 HIS A 94 33.926 -3.081 13.423 1.00 86.37 N ATOM 109 CD2 HIS A 94 35.353 -1.624 12.653 1.00 64.86 C ATOM 110 CE1 HIS A 94 34.651 -2.678 14.442 1.00 85.65 C ATOM 111 NE2 HIS A 94 35.520 -1.777 14.003 1.00 72.54 N ATOM 112 H HIS A 94 33.059 -0.312 9.905 1.00 0.00 H ATOM 113 N VAL A 95 33.637 -2.107 7.526 1.00 52.17 N ATOM 114 CA VAL A 95 33.401 -2.773 6.264 1.00 55.68 C ATOM 115 C VAL A 95 34.747 -2.800 5.522 1.00 57.62 C ATOM 116 O VAL A 95 35.523 -1.846 5.609 1.00 54.67 O ATOM 117 CB VAL A 95 32.273 -2.059 5.479 1.00 52.35 C ATOM 118 CG1 VAL A 95 32.093 -2.631 4.079 1.00 48.77 C ATOM 119 CG2 VAL A 95 30.976 -2.174 6.259 1.00 50.55 C ATOM 120 H VAL A 95 33.408 -1.098 7.632 1.00 0.00 H ATOM 121 N PRO A 96 35.060 -3.929 4.861 1.00 60.58 N ATOM 122 CA PRO A 96 36.274 -4.078 4.042 1.00 66.59 C ATOM 123 C PRO A 96 36.470 -2.885 3.090 1.00 72.41 C ATOM 124 O PRO A 96 35.550 -2.570 2.343 1.00 77.07 O ATOM 125 CB PRO A 96 36.007 -5.360 3.259 1.00 70.92 C ATOM 126 CG PRO A 96 35.076 -6.158 4.142 1.00 70.91 C ATOM 127 CD PRO A 96 34.270 -5.174 4.946 1.00 60.81 C ATOM 128 N GLN A 97 37.639 -2.240 3.111 1.00 73.77 N ATOM 129 CA GLN A 97 37.834 -0.987 2.362 1.00 77.12 C ATOM 130 C GLN A 97 37.747 -1.153 0.863 1.00 73.39 C ATOM 131 O GLN A 97 37.522 -0.175 0.137 1.00 78.57 O ATOM 132 CB GLN A 97 39.172 -0.323 2.705 1.00 83.04 C ATOM 133 CG GLN A 97 39.086 0.482 3.973 1.00 86.17 C ATOM 134 CD GLN A 97 40.083 1.607 4.010 1.00 89.59 C ATOM 135 OE1 GLN A 97 40.612 2.008 2.971 1.00 95.05 O ATOM 136 NE2 GLN A 97 40.319 2.159 5.202 1.00 90.43 N ATOM 137 HE22 GLN A 97 39.848 1.785 6.051 1.00 0.00 H ATOM 138 HE21 GLN A 97 40.974 2.963 5.282 1.00 0.00 H ATOM 139 H GLN A 97 38.427 -2.630 3.667 1.00 0.00 H ATOM 140 N GLU A 98 37.959 -2.379 0.411 1.00 72.93 N ATOM 141 CA GLU A 98 37.727 -2.725 -0.972 1.00 77.03 C ATOM 142 C GLU A 98 36.318 -2.312 -1.369 1.00 68.85 C ATOM 143 O GLU A 98 36.059 -1.822 -2.475 1.00 64.12 O ATOM 144 CB GLU A 98 37.910 -4.218 -1.153 1.00 84.70 C ATOM 145 CG GLU A 98 38.477 -4.602 -2.481 1.00 92.60 C ATOM 146 CD GLU A 98 39.944 -4.287 -2.597 1.00101.09 C ATOM 147 OE1 GLU A 98 40.704 -4.679 -1.687 1.00105.67 O ATOM 148 OE2 GLU A 98 40.334 -3.648 -3.595 1.00107.20 O ATOM 149 H GLU A 98 38.301 -3.110 1.067 1.00 0.00 H ATOM 150 N LYS A 99 35.414 -2.531 -0.423 1.00 64.32 N ATOM 151 CA LYS A 99 34.004 -2.251 -0.600 1.00 61.14 C ATOM 152 C LYS A 99 33.661 -0.821 -0.214 1.00 54.79 C ATOM 153 O LYS A 99 32.820 -0.199 -0.840 1.00 59.97 O ATOM 154 CB LYS A 99 33.164 -3.215 0.240 1.00 61.87 C ATOM 155 CG LYS A 99 32.885 -4.560 -0.388 1.00 64.38 C ATOM 156 CD LYS A 99 32.587 -5.584 0.701 1.00 68.02 C ATOM 157 CE LYS A 99 32.114 -6.912 0.127 1.00 70.94 C ATOM 158 NZ LYS A 99 30.646 -6.940 -0.129 1.00 67.47 N ATOM 159 HZ1 LYS A 99 30.137 -6.779 0.763 1.00 0.00 H ATOM 160 HZ2 LYS A 99 30.400 -6.193 -0.810 1.00 0.00 H ATOM 161 HZ3 LYS A 99 30.381 -7.867 -0.519 1.00 0.00 H ATOM 162 H LYS A 99 35.732 -2.921 0.487 1.00 0.00 H ATOM 163 N ALA A 100 34.324 -0.304 0.814 1.00 51.16 N ATOM 164 CA ALA A 100 33.767 0.803 1.583 1.00 48.50 C ATOM 165 C ALA A 100 34.560 2.116 1.579 1.00 50.13 C ATOM 166 O ALA A 100 33.994 3.168 1.886 1.00 58.87 O ATOM 167 CB ALA A 100 33.568 0.347 3.012 1.00 45.61 C ATOM 168 H ALA A 100 35.253 -0.694 1.074 1.00 0.00 H ATOM 169 N GLY A 101 35.854 2.052 1.267 1.00 47.90 N ATOM 170 CA GLY A 101 36.694 3.239 1.174 1.00 49.75 C ATOM 171 C GLY A 101 36.069 4.460 0.505 1.00 46.35 C ATOM 172 O GLY A 101 36.070 5.555 1.079 1.00 49.06 O ATOM 173 H GLY A 101 36.280 1.121 1.083 1.00 0.00 H ATOM 174 N PRO A 102 35.524 4.289 -0.708 1.00 39.96 N ATOM 175 CA PRO A 102 34.947 5.454 -1.390 1.00 45.75 C ATOM 176 C PRO A 102 33.802 6.099 -0.606 1.00 49.18 C ATOM 177 O PRO A 102 33.788 7.334 -0.418 1.00 46.01 O ATOM 178 CB PRO A 102 34.445 4.873 -2.714 1.00 49.79 C ATOM 179 CG PRO A 102 35.274 3.626 -2.924 1.00 43.22 C ATOM 180 CD PRO A 102 35.516 3.081 -1.555 1.00 41.64 C ATOM 181 N LEU A 103 32.865 5.273 -0.146 1.00 43.17 N ATOM 182 CA LEU A 103 31.757 5.758 0.673 1.00 43.11 C ATOM 183 C LEU A 103 32.258 6.364 1.983 1.00 38.07 C ATOM 184 O LEU A 103 31.745 7.387 2.435 1.00 36.48 O ATOM 185 CB LEU A 103 30.763 4.633 0.964 1.00 45.89 C ATOM 186 CG LEU A 103 29.571 5.035 1.845 1.00 42.90 C ATOM 187 CD1 LEU A 103 28.835 6.251 1.278 1.00 33.88 C ATOM 188 CD2 LEU A 103 28.616 3.862 2.050 1.00 39.47 C ATOM 189 H LEU A 103 32.923 4.260 -0.375 1.00 0.00 H ATOM 190 N GLN A 104 33.264 5.727 2.577 1.00 36.46 N ATOM 191 CA GLN A 104 33.904 6.226 3.791 1.00 43.25 C ATOM 192 C GLN A 104 34.475 7.645 3.608 1.00 44.78 C ATOM 193 O GLN A 104 34.295 8.528 4.464 1.00 46.97 O ATOM 194 CB GLN A 104 35.025 5.275 4.230 1.00 40.37 C ATOM 195 CG GLN A 104 34.597 4.166 5.164 1.00 45.19 C ATOM 196 CD GLN A 104 35.657 3.073 5.296 1.00 48.59 C ATOM 197 OE1 GLN A 104 36.674 3.086 4.599 1.00 48.28 O ATOM 198 NE2 GLN A 104 35.423 2.130 6.195 1.00 52.26 N ATOM 199 HE22 GLN A 104 34.552 2.157 6.762 1.00 0.00 H ATOM 200 HE21 GLN A 104 36.110 1.362 6.334 1.00 0.00 H ATOM 201 H GLN A 104 33.608 4.839 2.160 1.00 0.00 H ATOM 202 N ARG A 105 35.169 7.853 2.493 1.00 36.46 N ATOM 203 CA ARG A 105 35.798 9.141 2.222 1.00 41.94 C ATOM 204 C ARG A 105 34.731 10.177 1.924 1.00 44.34 C ATOM 205 O ARG A 105 34.810 11.306 2.405 1.00 48.48 O ATOM 206 CB ARG A 105 36.794 9.038 1.064 1.00 43.32 C ATOM 207 CG ARG A 105 38.023 8.193 1.381 1.00 48.00 C ATOM 208 CD ARG A 105 38.972 8.084 0.187 1.00 59.74 C ATOM 209 NE ARG A 105 38.508 7.149 -0.841 1.00 70.54 N ATOM 210 CZ ARG A 105 38.764 5.838 -0.834 1.00 75.35 C ATOM 211 NH1 ARG A 105 39.456 5.294 0.164 1.00 61.94 N ATOM 212 NH2 ARG A 105 38.309 5.060 -1.816 1.00 78.29 N ATOM 213 HE ARG A 105 37.943 7.530 -1.627 1.00 0.00 H ATOM 214 HH12 ARG A 105 39.652 4.273 0.164 1.00 0.00 H ATOM 215 HH11 ARG A 105 39.800 5.890 0.944 1.00 0.00 H ATOM 216 HH22 ARG A 105 38.510 4.040 -1.807 1.00 0.00 H ATOM 217 HH21 ARG A 105 37.752 5.473 -2.591 1.00 0.00 H ATOM 218 H ARG A 105 35.265 7.083 1.801 1.00 0.00 H ATOM 219 N TYR A 106 33.735 9.770 1.140 1.00 33.87 N ATOM 220 CA TYR A 106 32.542 10.567 0.898 1.00 31.47 C ATOM 221 C TYR A 106 31.931 11.064 2.205 1.00 36.29 C ATOM 222 O TYR A 106 31.717 12.273 2.387 1.00 37.34 O ATOM 223 CB TYR A 106 31.488 9.762 0.137 1.00 31.68 C ATOM 224 CG TYR A 106 30.503 10.645 -0.584 1.00 31.62 C ATOM 225 CD1 TYR A 106 30.735 11.030 -1.896 1.00 39.83 C ATOM 226 CD2 TYR A 106 29.372 11.145 0.058 1.00 31.60 C ATOM 227 CE1 TYR A 106 29.854 11.849 -2.569 1.00 43.88 C ATOM 228 CE2 TYR A 106 28.482 11.977 -0.614 1.00 31.18 C ATOM 229 CZ TYR A 106 28.736 12.328 -1.929 1.00 36.85 C ATOM 230 OH TYR A 106 27.880 13.154 -2.623 1.00 40.84 O ATOM 231 HH TYR A 106 26.983 12.737 -2.666 1.00 0.00 H ATOM 232 H TYR A 106 33.813 8.841 0.680 1.00 0.00 H ATOM 233 N ALA A 107 31.650 10.126 3.109 1.00 32.88 N ATOM 234 CA ALA A 107 31.017 10.463 4.380 1.00 34.60 C ATOM 235 C ALA A 107 31.908 11.382 5.200 1.00 41.52 C ATOM 236 O ALA A 107 31.426 12.329 5.828 1.00 34.46 O ATOM 237 CB ALA A 107 30.679 9.194 5.181 1.00 24.63 C ATOM 238 H ALA A 107 31.887 9.134 2.905 1.00 0.00 H ATOM 239 N ALA A 108 33.211 11.102 5.183 1.00 39.06 N ATOM 240 CA ALA A 108 34.171 11.903 5.931 1.00 38.57 C ATOM 241 C ALA A 108 34.187 13.352 5.447 1.00 40.97 C ATOM 242 O ALA A 108 34.258 14.283 6.256 1.00 40.03 O ATOM 243 CB ALA A 108 35.557 11.299 5.821 1.00 35.93 C ATOM 244 H ALA A 108 33.550 10.294 4.623 1.00 0.00 H ATOM 245 N THR A 109 34.130 13.535 4.128 1.00 36.46 N ATOM 246 CA THR A 109 34.135 14.863 3.532 1.00 42.01 C ATOM 247 C THR A 109 32.914 15.658 3.979 1.00 49.41 C ATOM 248 O THR A 109 33.034 16.816 4.396 1.00 53.44 O ATOM 249 CB THR A 109 34.144 14.795 1.996 1.00 45.05 C ATOM 250 OG1 THR A 109 35.317 14.104 1.547 1.00 48.76 O ATOM 251 CG2 THR A 109 34.064 16.212 1.386 1.00 37.23 C ATOM 252 HG1 THR A 109 35.319 13.185 1.916 1.00 0.00 H ATOM 253 H THR A 109 34.080 12.703 3.505 1.00 0.00 H ATOM 254 N ILE A 110 31.742 15.031 3.895 1.00 40.77 N ATOM 255 CA ILE A 110 30.514 15.641 4.390 1.00 42.79 C ATOM 256 C ILE A 110 30.642 16.044 5.857 1.00 43.93 C ATOM 257 O ILE A 110 30.198 17.121 6.246 1.00 55.74 O ATOM 258 CB ILE A 110 29.306 14.695 4.208 1.00 49.53 C ATOM 259 CG1 ILE A 110 28.999 14.543 2.714 1.00 44.02 C ATOM 260 CG2 ILE A 110 28.063 15.183 5.018 1.00 26.23 C ATOM 261 CD1 ILE A 110 27.866 13.610 2.410 1.00 43.21 C ATOM 262 H ILE A 110 31.702 14.084 3.466 1.00 0.00 H ATOM 263 N GLN A 111 31.264 15.203 6.673 1.00 41.25 N ATOM 264 CA GLN A 111 31.487 15.568 8.073 1.00 43.73 C ATOM 265 C GLN A 111 32.427 16.768 8.201 1.00 45.04 C ATOM 266 O GLN A 111 32.257 17.617 9.074 1.00 54.29 O ATOM 267 CB GLN A 111 32.034 14.377 8.852 1.00 40.16 C ATOM 268 CG GLN A 111 31.010 13.302 9.094 1.00 39.85 C ATOM 269 CD GLN A 111 31.533 12.193 9.978 1.00 53.66 C ATOM 270 OE1 GLN A 111 32.133 11.232 9.494 1.00 63.80 O ATOM 271 NE2 GLN A 111 31.306 12.317 11.285 1.00 61.88 N ATOM 272 HE22 GLN A 111 30.795 13.147 11.648 1.00 0.00 H ATOM 273 HE21 GLN A 111 31.640 11.584 11.943 1.00 0.00 H ATOM 274 H GLN A 111 31.594 14.283 6.317 1.00 0.00 H ATOM 275 N SER A 112 33.414 16.835 7.321 1.00 45.49 N ATOM 276 CA SER A 112 34.332 17.959 7.295 1.00 47.95 C ATOM 277 C SER A 112 33.587 19.238 7.011 1.00 52.56 C ATOM 278 O SER A 112 33.859 20.280 7.606 1.00 60.93 O ATOM 279 CB SER A 112 35.416 17.753 6.238 1.00 49.19 C ATOM 280 OG SER A 112 36.426 16.888 6.717 1.00 69.50 O ATOM 281 HG SER A 112 36.028 16.010 6.942 1.00 0.00 H ATOM 282 H SER A 112 33.534 16.065 6.633 1.00 0.00 H ATOM 283 N GLN A 113 32.643 19.149 6.086 1.00 54.35 N ATOM 284 CA GLN A 113 31.933 20.323 5.595 1.00 48.15 C ATOM 285 C GLN A 113 30.923 20.843 6.608 1.00 45.88 C ATOM 286 O GLN A 113 30.706 22.050 6.719 1.00 49.11 O ATOM 287 CB GLN A 113 31.250 19.990 4.280 1.00 40.63 C ATOM 288 CG GLN A 113 32.201 19.929 3.106 1.00 44.46 C ATOM 289 CD GLN A 113 31.508 19.520 1.826 1.00 62.91 C ATOM 290 OE1 GLN A 113 31.259 20.347 0.945 1.00 70.22 O ATOM 291 NE2 GLN A 113 31.190 18.238 1.714 1.00 78.01 N ATOM 292 HE22 GLN A 113 31.420 17.576 2.483 1.00 0.00 H ATOM 293 HE21 GLN A 113 30.711 17.894 0.857 1.00 0.00 H ATOM 294 H GLN A 113 32.402 18.214 5.699 1.00 0.00 H ATOM 295 N ARG A 114 30.316 19.925 7.354 1.00 38.55 N ATOM 296 CA ARG A 114 29.404 20.296 8.427 1.00 37.86 C ATOM 297 C ARG A 114 30.189 20.753 9.640 1.00 51.01 C ATOM 298 O ARG A 114 29.629 21.345 10.561 1.00 54.49 O ATOM 299 CB ARG A 114 28.496 19.121 8.821 1.00 36.82 C ATOM 300 CG ARG A 114 27.613 18.602 7.697 1.00 32.91 C ATOM 301 CD ARG A 114 26.671 17.503 8.140 1.00 31.16 C ATOM 302 NE ARG A 114 25.838 17.095 7.007 1.00 31.29 N ATOM 303 CZ ARG A 114 24.949 16.109 7.039 1.00 27.72 C ATOM 304 NH1 ARG A 114 24.763 15.428 8.163 1.00 27.27 N ATOM 305 NH2 ARG A 114 24.247 15.803 5.952 1.00 24.75 N ATOM 306 HE ARG A 114 25.951 17.615 6.113 1.00 0.00 H ATOM 307 HH12 ARG A 114 24.068 14.655 8.194 1.00 0.00 H ATOM 308 HH11 ARG A 114 25.312 15.668 9.013 1.00 0.00 H ATOM 309 HH22 ARG A 114 23.552 15.030 5.982 1.00 0.00 H ATOM 310 HH21 ARG A 114 24.393 16.337 5.071 1.00 0.00 H ATOM 311 H ARG A 114 30.497 18.918 7.167 1.00 0.00 H ATOM 312 N GLY A 115 31.489 20.468 9.637 1.00 54.61 N ATOM 313 CA GLY A 115 32.299 20.624 10.829 1.00 53.50 C ATOM 314 C GLY A 115 31.735 19.779 11.960 1.00 58.97 C ATOM 315 O GLY A 115 31.798 20.164 13.128 1.00 67.32 O ATOM 316 H GLY A 115 31.933 20.126 8.761 1.00 0.00 H ATOM 317 N ALA A 116 31.176 18.622 11.614 1.00 55.70 N ATOM 318 CA ALA A 116 30.546 17.746 12.601 1.00 54.33 C ATOM 319 C ALA A 116 31.245 16.389 12.646 1.00 57.74 C ATOM 320 O ALA A 116 30.751 15.397 12.101 1.00 57.79 O ATOM 321 CB ALA A 116 29.068 17.577 12.291 1.00 46.09 C ATOM 322 H ALA A 116 31.187 18.333 10.615 1.00 0.00 H ATOM 323 N TYR A 117 32.391 16.345 13.310 1.00 53.29 N ATOM 324 CA TYR A 117 33.249 15.175 13.226 1.00 62.10 C ATOM 325 C TYR A 117 32.972 14.109 14.291 1.00 68.95 C ATOM 326 O TYR A 117 33.747 13.164 14.424 1.00 86.66 O ATOM 327 CB TYR A 117 34.727 15.594 13.314 1.00 68.52 C ATOM 328 CG TYR A 117 35.126 16.746 12.423 1.00 70.82 C ATOM 329 CD1 TYR A 117 35.674 16.523 11.161 1.00 72.47 C ATOM 330 CD2 TYR A 117 34.978 18.060 12.853 1.00 67.48 C ATOM 331 CE1 TYR A 117 36.045 17.583 10.354 1.00 69.91 C ATOM 332 CE2 TYR A 117 35.342 19.111 12.059 1.00 61.82 C ATOM 333 CZ TYR A 117 35.870 18.874 10.819 1.00 64.37 C ATOM 334 OH TYR A 117 36.205 19.963 10.066 1.00 69.41 O ATOM 335 HH TYR A 117 36.573 19.662 9.198 1.00 0.00 H ATOM 336 H TYR A 117 32.679 17.154 13.896 1.00 0.00 H ATOM 337 N ASN A 118 31.885 14.230 15.045 1.00 57.93 N ATOM 338 CA ASN A 118 31.709 13.330 16.184 1.00 58.72 C ATOM 339 C ASN A 118 30.459 12.463 16.170 1.00 61.29 C ATOM 340 O ASN A 118 30.201 11.719 17.120 1.00 66.77 O ATOM 341 CB ASN A 118 31.741 14.134 17.484 1.00 65.74 C ATOM 342 CG ASN A 118 33.159 14.443 17.940 1.00 73.65 C ATOM 343 OD1 ASN A 118 34.131 14.070 17.278 1.00 72.68 O ATOM 344 ND2 ASN A 118 33.284 15.123 19.074 1.00 74.00 N ATOM 345 HD22 ASN A 118 32.436 15.418 19.600 1.00 0.00 H ATOM 346 HD21 ASN A 118 34.229 15.361 19.436 1.00 0.00 H ATOM 347 H ASN A 118 31.170 14.954 14.829 1.00 0.00 H ATOM 348 N GLY A 119 29.689 12.549 15.095 1.00 56.98 N ATOM 349 CA GLY A 119 28.505 11.728 14.973 1.00 58.08 C ATOM 350 C GLY A 119 28.875 10.264 14.854 1.00 65.42 C ATOM 351 O GLY A 119 30.000 9.911 14.498 1.00 65.55 O ATOM 352 H GLY A 119 29.938 13.212 14.333 1.00 0.00 H ATOM 353 N LYS A 120 27.912 9.407 15.161 1.00 67.05 N ATOM 354 CA LYS A 120 28.071 7.973 14.990 1.00 56.09 C ATOM 355 C LYS A 120 27.128 7.490 13.881 1.00 56.47 C ATOM 356 O LYS A 120 27.239 6.361 13.381 1.00 51.96 O ATOM 357 CB LYS A 120 27.815 7.266 16.317 1.00 53.26 C ATOM 358 CG LYS A 120 29.038 7.293 17.229 1.00 70.33 C ATOM 359 CD LYS A 120 28.680 7.311 18.711 1.00 79.95 C ATOM 360 CE LYS A 120 28.003 8.613 19.129 1.00 77.26 C ATOM 361 NZ LYS A 120 27.333 8.462 20.456 1.00 74.47 N ATOM 362 HZ1 LYS A 120 26.613 7.714 20.396 1.00 0.00 H ATOM 363 HZ2 LYS A 120 28.041 8.207 21.174 1.00 0.00 H ATOM 364 HZ3 LYS A 120 26.880 9.361 20.718 1.00 0.00 H ATOM 365 H LYS A 120 27.014 9.773 15.536 1.00 0.00 H ATOM 366 N VAL A 121 26.205 8.374 13.500 1.00 52.97 N ATOM 367 CA VAL A 121 25.373 8.194 12.317 1.00 49.73 C ATOM 368 C VAL A 121 25.355 9.466 11.483 1.00 47.56 C ATOM 369 O VAL A 121 25.493 10.567 12.011 1.00 50.05 O ATOM 370 CB VAL A 121 23.937 7.819 12.674 1.00 50.45 C ATOM 371 CG1 VAL A 121 23.918 6.460 13.327 1.00 53.22 C ATOM 372 CG2 VAL A 121 23.309 8.900 13.580 1.00 38.49 C ATOM 373 H VAL A 121 26.073 9.231 14.074 1.00 0.00 H ATOM 374 N LEU A 122 25.200 9.298 10.174 1.00 44.04 N ATOM 375 CA LEU A 122 25.170 10.417 9.240 1.00 39.62 C ATOM 376 C LEU A 122 24.034 10.214 8.257 1.00 37.35 C ATOM 377 O LEU A 122 23.991 9.210 7.540 1.00 42.38 O ATOM 378 CB LEU A 122 26.496 10.544 8.476 1.00 36.42 C ATOM 379 CG LEU A 122 26.759 11.845 7.691 1.00 33.41 C ATOM 380 CD1 LEU A 122 26.963 13.018 8.635 1.00 32.31 C ATOM 381 CD2 LEU A 122 27.961 11.710 6.747 1.00 27.44 C ATOM 382 H LEU A 122 25.096 8.332 9.802 1.00 0.00 H ATOM 383 N SER A 123 23.101 11.148 8.211 1.00 33.47 N ATOM 384 CA SER A 123 22.146 11.095 7.120 1.00 41.53 C ATOM 385 C SER A 123 22.567 12.099 6.071 1.00 40.04 C ATOM 386 O SER A 123 23.117 13.165 6.381 1.00 33.90 O ATOM 387 CB SER A 123 20.715 11.353 7.583 1.00 38.13 C ATOM 388 OG SER A 123 20.677 12.465 8.419 1.00 39.43 O ATOM 389 HG SER A 123 19.745 12.623 8.713 1.00 0.00 H ATOM 390 H SER A 123 23.053 11.896 8.932 1.00 0.00 H ATOM 391 N ILE A 124 22.316 11.736 4.821 1.00 43.24 N ATOM 392 CA ILE A 124 22.867 12.472 3.701 1.00 46.95 C ATOM 393 C ILE A 124 21.765 12.756 2.690 1.00 43.06 C ATOM 394 O ILE A 124 20.652 12.211 2.792 1.00 36.19 O ATOM 395 CB ILE A 124 24.072 11.698 3.071 1.00 42.03 C ATOM 396 CG1 ILE A 124 23.781 10.203 2.893 1.00 45.86 C ATOM 397 CG2 ILE A 124 25.265 11.777 3.999 1.00 37.36 C ATOM 398 CD1 ILE A 124 22.911 9.850 1.718 1.00 58.37 C ATOM 399 H ILE A 124 21.713 10.908 4.641 1.00 0.00 H ATOM 400 N ARG A 125 22.063 13.633 1.738 1.00 39.98 N ATOM 401 CA ARG A 125 21.060 14.035 0.770 1.00 35.19 C ATOM 402 C ARG A 125 20.713 12.896 -0.154 1.00 40.90 C ATOM 403 O ARG A 125 21.584 12.116 -0.552 1.00 39.29 O ATOM 404 CB ARG A 125 21.535 15.241 -0.035 1.00 42.17 C ATOM 405 CG ARG A 125 21.873 16.418 0.831 1.00 43.29 C ATOM 406 CD ARG A 125 22.467 17.575 0.058 1.00 38.21 C ATOM 407 NE ARG A 125 22.742 18.693 0.962 1.00 37.21 N ATOM 408 CZ ARG A 125 23.137 19.897 0.575 1.00 30.36 C ATOM 409 NH1 ARG A 125 23.313 20.156 -0.713 1.00 26.56 N ATOM 410 NH2 ARG A 125 23.362 20.840 1.486 1.00 25.81 N ATOM 411 HE ARG A 125 22.618 18.530 1.982 1.00 0.00 H ATOM 412 HH12 ARG A 125 23.623 21.101 -1.016 1.00 0.00 H ATOM 413 HH11 ARG A 125 23.141 19.414 -1.421 1.00 0.00 H ATOM 414 HH22 ARG A 125 23.672 21.787 1.188 1.00 0.00 H ATOM 415 HH21 ARG A 125 23.228 20.630 2.496 1.00 0.00 H ATOM 416 H ARG A 125 23.021 14.034 1.686 1.00 0.00 H ATOM 417 N GLN A 126 19.420 12.794 -0.449 1.00 45.57 N ATOM 418 CA GLN A 126 18.905 11.961 -1.521 1.00 48.09 C ATOM 419 C GLN A 126 19.851 12.031 -2.723 1.00 44.51 C ATOM 420 O GLN A 126 20.312 11.006 -3.224 1.00 47.44 O ATOM 421 CB GLN A 126 17.494 12.425 -1.896 1.00 55.63 C ATOM 422 CG GLN A 126 16.554 11.346 -2.385 1.00 58.79 C ATOM 423 CD GLN A 126 16.594 10.114 -1.516 1.00 70.59 C ATOM 424 OE1 GLN A 126 17.004 9.040 -1.960 1.00 81.67 O ATOM 425 NE2 GLN A 126 16.177 10.261 -0.264 1.00 70.78 N ATOM 426 HE22 GLN A 126 15.839 11.188 0.066 1.00 0.00 H ATOM 427 HE21 GLN A 126 16.188 9.450 0.386 1.00 0.00 H ATOM 428 H GLN A 126 18.741 13.340 0.119 1.00 0.00 H ATOM 429 N ASP A 127 20.171 13.255 -3.137 1.00 42.41 N ATOM 430 CA ASP A 127 21.095 13.515 -4.244 1.00 51.59 C ATOM 431 C ASP A 127 22.422 12.760 -4.144 1.00 54.35 C ATOM 432 O ASP A 127 22.988 12.373 -5.164 1.00 63.80 O ATOM 433 CB ASP A 127 21.394 15.020 -4.350 1.00 54.38 C ATOM 434 CG ASP A 127 20.150 15.850 -4.663 1.00 79.89 C ATOM 435 OD1 ASP A 127 19.539 15.626 -5.735 1.00 86.88 O ATOM 436 OD2 ASP A 127 19.785 16.732 -3.842 1.00 90.19 O ATOM 437 H ASP A 127 19.743 14.068 -2.650 1.00 0.00 H ATOM 438 N ASP A 128 22.929 12.568 -2.928 1.00 44.90 N ATOM 439 CA ASP A 128 24.232 11.932 -2.757 1.00 42.58 C ATOM 440 C ASP A 128 24.208 10.473 -3.194 1.00 44.58 C ATOM 441 O ASP A 128 25.240 9.894 -3.515 1.00 46.79 O ATOM 442 CB ASP A 128 24.703 12.039 -1.305 1.00 47.69 C ATOM 443 CG ASP A 128 25.079 13.464 -0.918 1.00 49.31 C ATOM 444 OD1 ASP A 128 25.703 14.151 -1.753 1.00 56.23 O ATOM 445 OD2 ASP A 128 24.746 13.899 0.208 1.00 39.23 O ATOM 446 H ASP A 128 22.392 12.874 -2.092 1.00 0.00 H ATOM 447 N LEU A 129 23.023 9.881 -3.226 1.00 45.56 N ATOM 448 CA LEU A 129 22.899 8.500 -3.642 1.00 48.68 C ATOM 449 C LEU A 129 23.223 8.360 -5.125 1.00 50.41 C ATOM 450 O LEU A 129 23.959 7.449 -5.520 1.00 56.25 O ATOM 451 CB LEU A 129 21.501 7.977 -3.350 1.00 58.41 C ATOM 452 CG LEU A 129 21.312 6.527 -3.768 1.00 60.78 C ATOM 453 CD1 LEU A 129 22.414 5.689 -3.131 1.00 62.11 C ATOM 454 CD2 LEU A 129 19.935 6.054 -3.355 1.00 55.05 C ATOM 455 H LEU A 129 22.174 10.414 -2.950 1.00 0.00 H ATOM 456 N ARG A 130 22.690 9.265 -5.943 1.00 47.36 N ATOM 457 CA ARG A 130 23.036 9.295 -7.360 1.00 45.06 C ATOM 458 C ARG A 130 24.541 9.446 -7.563 1.00 47.28 C ATOM 459 O ARG A 130 25.142 8.783 -8.417 1.00 47.24 O ATOM 460 CB ARG A 130 22.298 10.426 -8.087 1.00 51.31 C ATOM 461 CG ARG A 130 20.785 10.375 -7.982 1.00 62.27 C ATOM 462 CD ARG A 130 20.196 10.058 -9.352 1.00 78.26 C ATOM 463 NE ARG A 130 18.905 9.371 -9.270 1.00 90.55 N ATOM 464 CZ ARG A 130 18.490 8.442 -10.129 1.00 92.23 C ATOM 465 NH1 ARG A 130 19.269 8.067 -11.139 1.00 94.11 N ATOM 466 NH2 ARG A 130 17.299 7.878 -9.970 1.00 91.37 N ATOM 467 HE ARG A 130 18.269 9.626 -8.488 1.00 0.00 H ATOM 468 HH12 ARG A 130 18.940 7.341 -11.807 1.00 0.00 H ATOM 469 HH11 ARG A 130 20.207 8.500 -11.261 1.00 0.00 H ATOM 470 HH22 ARG A 130 16.974 7.152 -10.640 1.00 0.00 H ATOM 471 HH21 ARG A 130 16.691 8.162 -9.175 1.00 0.00 H ATOM 472 H ARG A 130 22.016 9.962 -5.566 1.00 0.00 H ATOM 473 N THR A 131 25.156 10.318 -6.776 1.00 38.13 N ATOM 474 CA THR A 131 26.582 10.564 -6.928 1.00 40.39 C ATOM 475 C THR A 131 27.382 9.330 -6.522 1.00 42.25 C ATOM 476 O THR A 131 28.339 8.944 -7.195 1.00 45.42 O ATOM 477 CB THR A 131 27.021 11.783 -6.099 1.00 39.21 C ATOM 478 OG1 THR A 131 26.402 12.946 -6.646 1.00 46.52 O ATOM 479 CG2 THR A 131 28.522 11.967 -6.130 1.00 35.73 C ATOM 480 HG1 THR A 131 26.675 13.741 -6.123 1.00 0.00 H ATOM 481 H THR A 131 24.617 10.828 -6.047 1.00 0.00 H ATOM 482 N LEU A 132 26.984 8.704 -5.420 1.00 36.98 N ATOM 483 CA LEU A 132 27.667 7.513 -4.944 1.00 35.95 C ATOM 484 C LEU A 132 27.523 6.346 -5.924 1.00 40.84 C ATOM 485 O LEU A 132 28.462 5.564 -6.112 1.00 44.05 O ATOM 486 CB LEU A 132 27.135 7.120 -3.576 1.00 34.23 C ATOM 487 CG LEU A 132 27.631 8.026 -2.455 1.00 42.96 C ATOM 488 CD1 LEU A 132 26.713 7.958 -1.238 1.00 38.17 C ATOM 489 CD2 LEU A 132 29.055 7.633 -2.106 1.00 52.63 C ATOM 490 H LEU A 132 26.169 9.073 -4.889 1.00 0.00 H ATOM 491 N ALA A 133 26.347 6.231 -6.537 1.00 40.13 N ATOM 492 CA ALA A 133 26.115 5.221 -7.567 1.00 47.23 C ATOM 493 C ALA A 133 27.201 5.309 -8.637 1.00 51.14 C ATOM 494 O ALA A 133 27.856 4.315 -8.947 1.00 52.89 O ATOM 495 CB ALA A 133 24.727 5.382 -8.185 1.00 48.79 C ATOM 496 H ALA A 133 25.574 6.876 -6.276 1.00 0.00 H ATOM 497 N VAL A 134 27.406 6.506 -9.175 1.00 42.52 N ATOM 498 CA VAL A 134 28.489 6.735 -10.116 1.00 41.34 C ATOM 499 C VAL A 134 29.841 6.357 -9.524 1.00 43.68 C ATOM 500 O VAL A 134 30.651 5.700 -10.184 1.00 58.65 O ATOM 501 CB VAL A 134 28.536 8.218 -10.581 1.00 51.01 C ATOM 502 CG1 VAL A 134 29.793 8.489 -11.410 1.00 41.33 C ATOM 503 CG2 VAL A 134 27.271 8.581 -11.375 1.00 54.29 C ATOM 504 H VAL A 134 26.779 7.295 -8.918 1.00 0.00 H ATOM 505 N ILE A 135 30.095 6.769 -8.289 1.00 43.62 N ATOM 506 CA ILE A 135 31.379 6.477 -7.659 1.00 50.72 C ATOM 507 C ILE A 135 31.601 4.966 -7.617 1.00 54.00 C ATOM 508 O ILE A 135 32.703 4.486 -7.880 1.00 54.10 O ATOM 509 CB ILE A 135 31.476 7.072 -6.228 1.00 45.59 C ATOM 510 CG1 ILE A 135 31.505 8.606 -6.272 1.00 42.51 C ATOM 511 CG2 ILE A 135 32.708 6.550 -5.507 1.00 40.31 C ATOM 512 CD1 ILE A 135 31.570 9.261 -4.887 1.00 37.57 C ATOM 513 H ILE A 135 29.373 7.304 -7.765 1.00 0.00 H ATOM 514 N TYR A 136 30.529 4.227 -7.336 1.00 56.35 N ATOM 515 CA TYR A 136 30.597 2.778 -7.158 1.00 53.41 C ATOM 516 C TYR A 136 30.351 1.999 -8.445 1.00 57.48 C ATOM 517 O TYR A 136 30.530 0.779 -8.475 1.00 61.02 O ATOM 518 CB TYR A 136 29.597 2.332 -6.073 1.00 43.82 C ATOM 519 CG TYR A 136 30.218 2.357 -4.699 1.00 45.46 C ATOM 520 CD1 TYR A 136 30.127 3.486 -3.884 1.00 37.97 C ATOM 521 CD2 TYR A 136 30.949 1.273 -4.241 1.00 45.37 C ATOM 522 CE1 TYR A 136 30.717 3.512 -2.652 1.00 38.85 C ATOM 523 CE2 TYR A 136 31.541 1.293 -3.008 1.00 47.03 C ATOM 524 CZ TYR A 136 31.427 2.413 -2.216 1.00 46.86 C ATOM 525 OH TYR A 136 32.030 2.428 -0.979 1.00 56.73 O ATOM 526 HH TYR A 136 31.661 1.696 -0.424 1.00 0.00 H ATOM 527 H TYR A 136 29.608 4.700 -7.239 1.00 0.00 H ATOM 528 N ASP A 137 29.950 2.708 -9.498 1.00 62.02 N ATOM 529 CA ASP A 137 29.574 2.093 -10.776 1.00 66.34 C ATOM 530 C ASP A 137 28.428 1.085 -10.635 1.00 60.88 C ATOM 531 O ASP A 137 28.567 -0.077 -10.998 1.00 61.72 O ATOM 532 CB ASP A 137 30.783 1.409 -11.424 1.00 65.92 C ATOM 533 CG ASP A 137 30.489 0.913 -12.826 1.00 73.02 C ATOM 534 OD1 ASP A 137 29.420 1.272 -13.372 1.00 76.26 O ATOM 535 OD2 ASP A 137 31.326 0.166 -13.378 1.00 77.67 O ATOM 536 H ASP A 137 29.901 3.743 -9.411 1.00 0.00 H ATOM 537 N GLN A 138 27.300 1.524 -10.090 1.00 58.61 N ATOM 538 CA GLN A 138 26.125 0.667 -9.969 1.00 60.40 C ATOM 539 C GLN A 138 24.875 1.511 -10.069 1.00 57.44 C ATOM 540 O GLN A 138 24.947 2.736 -10.079 1.00 62.22 O ATOM 541 CB GLN A 138 26.110 -0.095 -8.641 1.00 67.98 C ATOM 542 CG GLN A 138 27.467 -0.501 -8.097 1.00 77.30 C ATOM 543 CD GLN A 138 27.363 -1.191 -6.759 1.00 87.93 C ATOM 544 OE1 GLN A 138 26.288 -1.233 -6.156 1.00 84.97 O ATOM 545 NE2 GLN A 138 28.486 -1.723 -6.273 1.00 91.41 N ATOM 546 HE22 GLN A 138 29.369 -1.662 -6.819 1.00 0.00 H ATOM 547 HE21 GLN A 138 28.478 -2.198 -5.348 1.00 0.00 H ATOM 548 H GLN A 138 27.252 2.502 -9.741 1.00 0.00 H ATOM 549 N SER A 139 23.725 0.855 -10.133 1.00 57.95 N ATOM 550 CA SER A 139 22.455 1.556 -10.060 1.00 61.90 C ATOM 551 C SER A 139 22.296 2.179 -8.685 1.00 64.07 C ATOM 552 O SER A 139 22.874 1.686 -7.709 1.00 65.53 O ATOM 553 CB SER A 139 21.294 0.607 -10.332 1.00 71.28 C ATOM 554 OG SER A 139 20.063 1.202 -9.949 1.00 75.63 O ATOM 555 HG SER A 139 19.322 0.572 -10.133 1.00 0.00 H ATOM 556 H SER A 139 23.732 -0.180 -10.237 1.00 0.00 H ATOM 557 N PRO A 140 21.522 3.270 -8.595 1.00 61.48 N ATOM 558 CA PRO A 140 21.186 3.784 -7.262 1.00 62.58 C ATOM 559 C PRO A 140 20.493 2.716 -6.424 1.00 61.72 C ATOM 560 O PRO A 140 20.798 2.549 -5.239 1.00 65.32 O ATOM 561 CB PRO A 140 20.241 4.951 -7.560 1.00 59.27 C ATOM 562 CG PRO A 140 20.644 5.404 -8.919 1.00 59.91 C ATOM 563 CD PRO A 140 21.070 4.167 -9.670 1.00 53.48 C ATOM 564 N SER A 141 19.592 1.978 -7.061 1.00 57.93 N ATOM 565 CA SER A 141 18.797 0.965 -6.381 1.00 60.10 C ATOM 566 C SER A 141 19.619 -0.273 -6.003 1.00 57.73 C ATOM 567 O SER A 141 19.385 -0.883 -4.956 1.00 55.75 O ATOM 568 CB SER A 141 17.612 0.569 -7.256 1.00 71.00 C ATOM 569 OG SER A 141 16.529 0.129 -6.459 1.00 77.85 O ATOM 570 HG SER A 141 15.771 -0.123 -7.044 1.00 0.00 H ATOM 571 H SER A 141 19.449 2.128 -8.080 1.00 0.00 H ATOM 572 N VAL A 142 20.582 -0.648 -6.842 1.00 56.04 N ATOM 573 CA VAL A 142 21.491 -1.729 -6.470 1.00 57.48 C ATOM 574 C VAL A 142 22.367 -1.292 -5.307 1.00 58.67 C ATOM 575 O VAL A 142 22.424 -1.966 -4.273 1.00 61.84 O ATOM 576 CB VAL A 142 22.388 -2.177 -7.641 1.00 56.44 C ATOM 577 CG1 VAL A 142 23.500 -3.073 -7.140 1.00 52.47 C ATOM 578 CG2 VAL A 142 21.564 -2.913 -8.686 1.00 67.47 C ATOM 579 H VAL A 142 20.687 -0.172 -7.761 1.00 0.00 H ATOM 580 N LEU A 143 23.046 -0.163 -5.488 1.00 53.40 N ATOM 581 CA LEU A 143 23.859 0.442 -4.436 1.00 54.29 C ATOM 582 C LEU A 143 23.140 0.467 -3.095 1.00 48.27 C ATOM 583 O LEU A 143 23.723 0.145 -2.058 1.00 49.41 O ATOM 584 CB LEU A 143 24.246 1.871 -4.816 1.00 53.06 C ATOM 585 CG LEU A 143 25.183 2.550 -3.825 1.00 45.30 C ATOM 586 CD1 LEU A 143 26.485 1.777 -3.700 1.00 42.89 C ATOM 587 CD2 LEU A 143 25.429 3.983 -4.223 1.00 40.62 C ATOM 588 H LEU A 143 22.996 0.307 -6.414 1.00 0.00 H ATOM 589 N THR A 144 21.867 0.851 -3.130 1.00 41.07 N ATOM 590 CA THR A 144 21.068 0.925 -1.919 1.00 47.71 C ATOM 591 C THR A 144 20.901 -0.462 -1.307 1.00 51.04 C ATOM 592 O THR A 144 21.060 -0.641 -0.102 1.00 47.67 O ATOM 593 CB THR A 144 19.700 1.539 -2.197 1.00 48.33 C ATOM 594 OG1 THR A 144 19.880 2.858 -2.722 1.00 56.91 O ATOM 595 CG2 THR A 144 18.894 1.630 -0.927 1.00 45.24 C ATOM 596 HG1 THR A 144 20.402 2.809 -3.562 1.00 0.00 H ATOM 597 H THR A 144 21.435 1.103 -4.042 1.00 0.00 H ATOM 598 N GLU A 145 20.595 -1.440 -2.152 1.00 54.94 N ATOM 599 CA GLU A 145 20.469 -2.818 -1.705 1.00 51.82 C ATOM 600 C GLU A 145 21.784 -3.308 -1.110 1.00 47.15 C ATOM 601 O GLU A 145 21.802 -3.964 -0.064 1.00 47.33 O ATOM 602 CB GLU A 145 20.026 -3.709 -2.860 1.00 53.21 C ATOM 603 CG GLU A 145 18.974 -4.688 -2.436 1.00 60.66 C ATOM 604 CD GLU A 145 17.795 -3.992 -1.796 1.00 69.42 C ATOM 605 OE1 GLU A 145 17.141 -3.187 -2.490 1.00 76.88 O ATOM 606 OE2 GLU A 145 17.529 -4.239 -0.598 1.00 70.41 O ATOM 607 H GLU A 145 20.442 -1.215 -3.156 1.00 0.00 H ATOM 608 N GLN A 146 22.882 -2.954 -1.770 1.00 46.33 N ATOM 609 CA GLN A 146 24.220 -3.271 -1.280 1.00 48.27 C ATOM 610 C GLN A 146 24.538 -2.678 0.085 1.00 49.14 C ATOM 611 O GLN A 146 25.094 -3.358 0.941 1.00 50.07 O ATOM 612 CB GLN A 146 25.269 -2.788 -2.270 1.00 46.57 C ATOM 613 CG GLN A 146 25.772 -3.858 -3.181 1.00 51.39 C ATOM 614 CD GLN A 146 26.769 -3.329 -4.163 1.00 64.66 C ATOM 615 OE1 GLN A 146 27.529 -2.410 -3.860 1.00 74.72 O ATOM 616 NE2 GLN A 146 26.768 -3.892 -5.361 1.00 71.50 N ATOM 617 HE22 GLN A 146 26.107 -4.667 -5.571 1.00 0.00 H ATOM 618 HE21 GLN A 146 27.429 -3.560 -6.092 1.00 0.00 H ATOM 619 H GLN A 146 22.785 -2.434 -2.665 1.00 0.00 H ATOM 620 N LEU A 147 24.210 -1.404 0.276 1.00 47.55 N ATOM 621 CA LEU A 147 24.558 -0.711 1.510 1.00 44.28 C ATOM 622 C LEU A 147 23.762 -1.261 2.694 1.00 45.34 C ATOM 623 O LEU A 147 24.255 -1.317 3.825 1.00 45.86 O ATOM 624 CB LEU A 147 24.330 0.796 1.352 1.00 44.57 C ATOM 625 CG LEU A 147 25.347 1.527 0.465 1.00 43.00 C ATOM 626 CD1 LEU A 147 25.272 3.039 0.660 1.00 43.20 C ATOM 627 CD2 LEU A 147 26.759 1.019 0.752 1.00 41.65 C ATOM 628 H LEU A 147 23.695 -0.892 -0.469 1.00 0.00 H ATOM 629 N ILE A 148 22.528 -1.672 2.422 1.00 49.03 N ATOM 630 CA ILE A 148 21.696 -2.296 3.437 1.00 50.09 C ATOM 631 C ILE A 148 22.295 -3.623 3.914 1.00 51.10 C ATOM 632 O ILE A 148 22.321 -3.903 5.112 1.00 52.78 O ATOM 633 CB ILE A 148 20.278 -2.544 2.919 1.00 48.77 C ATOM 634 CG1 ILE A 148 19.615 -1.228 2.505 1.00 46.39 C ATOM 635 CG2 ILE A 148 19.452 -3.246 3.981 1.00 45.10 C ATOM 636 CD1 ILE A 148 18.205 -1.401 1.957 1.00 41.66 C ATOM 637 H ILE A 148 22.149 -1.544 1.462 1.00 0.00 H ATOM 638 N SER A 149 22.792 -4.423 2.977 1.00 51.22 N ATOM 639 CA SER A 149 23.324 -5.739 3.309 1.00 56.08 C ATOM 640 C SER A 149 24.640 -5.646 4.088 1.00 56.43 C ATOM 641 O SER A 149 24.973 -6.547 4.856 1.00 55.72 O ATOM 642 CB SER A 149 23.517 -6.583 2.038 1.00 66.15 C ATOM 643 OG SER A 149 24.826 -6.444 1.508 1.00 73.27 O ATOM 644 HG SER A 149 24.989 -5.495 1.280 1.00 0.00 H ATOM 645 H SER A 149 22.802 -4.104 1.987 1.00 0.00 H ATOM 646 N TRP A 150 25.393 -4.566 3.890 1.00 56.67 N ATOM 647 CA TRP A 150 26.576 -4.328 4.714 1.00 54.98 C ATOM 648 C TRP A 150 26.149 -3.892 6.113 1.00 51.86 C ATOM 649 O TRP A 150 26.947 -3.922 7.054 1.00 52.88 O ATOM 650 CB TRP A 150 27.483 -3.252 4.115 1.00 53.12 C ATOM 651 CG TRP A 150 27.975 -3.508 2.726 1.00 57.76 C ATOM 652 CD1 TRP A 150 27.822 -4.646 1.981 1.00 59.22 C ATOM 653 CD2 TRP A 150 28.695 -2.585 1.904 1.00 54.48 C ATOM 654 NE1 TRP A 150 28.410 -4.484 0.744 1.00 55.23 N ATOM 655 CE2 TRP A 150 28.954 -3.225 0.676 1.00 53.18 C ATOM 656 CE3 TRP A 150 29.153 -1.277 2.092 1.00 52.15 C ATOM 657 CZ2 TRP A 150 29.644 -2.603 -0.357 1.00 52.87 C ATOM 658 CZ3 TRP A 150 29.842 -0.661 1.067 1.00 53.29 C ATOM 659 CH2 TRP A 150 30.080 -1.322 -0.141 1.00 53.10 C ATOM 660 HE1 TRP A 150 28.437 -5.197 -0.012 1.00 0.00 H ATOM 661 H TRP A 150 25.138 -3.888 3.144 1.00 0.00 H ATOM 662 N GLY A 151 24.890 -3.474 6.239 1.00 42.65 N ATOM 663 CA GLY A 151 24.380 -2.942 7.489 1.00 41.02 C ATOM 664 C GLY A 151 24.752 -1.483 7.698 1.00 41.51 C ATOM 665 O GLY A 151 24.692 -0.978 8.819 1.00 50.70 O ATOM 666 H GLY A 151 24.255 -3.531 5.418 1.00 0.00 H ATOM 667 N VAL A 152 25.124 -0.806 6.615 1.00 37.97 N ATOM 668 CA VAL A 152 25.501 0.602 6.666 1.00 37.23 C ATOM 669 C VAL A 152 24.272 1.509 6.561 1.00 43.74 C ATOM 670 O VAL A 152 24.142 2.506 7.275 1.00 44.62 O ATOM 671 CB VAL A 152 26.469 0.951 5.540 1.00 36.10 C ATOM 672 CG1 VAL A 152 26.834 2.421 5.608 1.00 49.96 C ATOM 673 CG2 VAL A 152 27.714 0.072 5.615 1.00 33.95 C ATOM 674 H VAL A 152 25.147 -1.298 5.699 1.00 0.00 H ATOM 675 N LEU A 153 23.380 1.155 5.646 1.00 45.81 N ATOM 676 CA LEU A 153 22.068 1.772 5.551 1.00 45.73 C ATOM 677 C LEU A 153 21.068 0.900 6.290 1.00 61.29 C ATOM 678 O LEU A 153 21.231 -0.321 6.321 1.00 74.75 O ATOM 679 CB LEU A 153 21.656 1.918 4.093 1.00 44.07 C ATOM 680 CG LEU A 153 22.098 3.186 3.378 1.00 47.80 C ATOM 681 CD1 LEU A 153 21.414 3.266 2.017 1.00 55.24 C ATOM 682 CD2 LEU A 153 21.795 4.416 4.230 1.00 34.43 C ATOM 683 H LEU A 153 23.629 0.406 4.969 1.00 0.00 H ATOM 684 N ASP A 154 20.044 1.497 6.893 1.00 71.59 N ATOM 685 CA ASP A 154 18.951 0.689 7.438 1.00 75.20 C ATOM 686 C ASP A 154 17.878 0.521 6.363 1.00 68.58 C ATOM 687 O ASP A 154 17.819 1.300 5.415 1.00 69.68 O ATOM 688 CB ASP A 154 18.373 1.304 8.720 1.00 82.43 C ATOM 689 CG ASP A 154 18.791 0.537 9.983 1.00 89.25 C ATOM 690 OD1 ASP A 154 19.430 -0.532 9.858 1.00 88.40 O ATOM 691 OD2 ASP A 154 18.479 0.999 11.103 1.00 91.04 O ATOM 692 H ASP A 154 20.020 2.533 6.977 1.00 0.00 H ATOM 693 N ALA A 155 17.037 -0.497 6.510 1.00 68.04 N ATOM 694 CA ALA A 155 16.187 -0.962 5.411 1.00 68.47 C ATOM 695 C ALA A 155 15.043 -0.013 5.028 1.00 69.09 C ATOM 696 O ALA A 155 14.443 -0.164 3.962 1.00 71.56 O ATOM 697 CB ALA A 155 15.628 -2.334 5.748 1.00 73.19 C ATOM 698 H ALA A 155 16.980 -0.977 7.431 1.00 0.00 H ATOM 699 N ASP A 156 14.759 0.968 5.881 1.00 71.60 N ATOM 700 CA ASP A 156 13.718 1.965 5.614 1.00 80.23 C ATOM 701 C ASP A 156 14.118 2.851 4.414 1.00 75.92 C ATOM 702 O ASP A 156 13.318 3.623 3.895 1.00 82.12 O ATOM 703 CB ASP A 156 13.464 2.803 6.884 1.00 90.52 C ATOM 704 CG ASP A 156 12.150 3.619 6.837 1.00 98.03 C ATOM 705 OD1 ASP A 156 11.845 4.287 5.826 1.00 94.58 O ATOM 706 OD2 ASP A 156 11.395 3.572 7.839 1.00103.60 O ATOM 707 H ASP A 156 15.295 1.030 6.770 1.00 0.00 H ATOM 708 N ALA A 157 15.357 2.705 3.955 1.00 69.04 N ATOM 709 CA ALA A 157 15.866 3.458 2.808 1.00 64.95 C ATOM 710 C ALA A 157 15.588 2.766 1.467 1.00 68.92 C ATOM 711 O ALA A 157 15.746 3.368 0.399 1.00 59.24 O ATOM 712 CB ALA A 157 17.356 3.693 2.974 1.00 63.56 C ATOM 713 H ALA A 157 15.989 2.029 4.430 1.00 0.00 H ATOM 714 N ARG A 158 15.175 1.501 1.542 1.00 79.54 N ATOM 715 CA ARG A 158 14.883 0.674 0.367 1.00 82.49 C ATOM 716 C ARG A 158 13.622 1.154 -0.360 1.00 92.41 C ATOM 717 O ARG A 158 12.722 0.362 -0.645 1.00107.96 O ATOM 718 CB ARG A 158 14.727 -0.801 0.787 1.00 76.45 C ATOM 719 CG ARG A 158 14.902 -1.831 -0.334 1.00 75.15 C ATOM 720 CD ARG A 158 14.546 -3.247 0.129 1.00 75.02 C ATOM 721 NE ARG A 158 15.574 -3.873 0.963 1.00 74.57 N ATOM 722 CZ ARG A 158 15.393 -4.239 2.230 1.00 80.10 C ATOM 723 NH1 ARG A 158 14.224 -4.040 2.822 1.00 86.56 N ATOM 724 NH2 ARG A 158 16.382 -4.805 2.910 1.00 78.06 N ATOM 725 HE ARG A 158 16.507 -4.043 0.537 1.00 0.00 H ATOM 726 HH12 ARG A 158 14.087 -4.327 3.812 1.00 0.00 H ATOM 727 HH11 ARG A 158 13.444 -3.596 2.297 1.00 0.00 H ATOM 728 HH22 ARG A 158 16.236 -5.089 3.900 1.00 0.00 H ATOM 729 HH21 ARG A 158 17.303 -4.964 2.453 1.00 0.00 H ATOM 730 H ARG A 158 15.053 1.078 2.484 1.00 0.00 H TER 731 ARG A 158 ATOM 732 N PRO C 83 31.072 31.382 4.504 1.00 91.07 N ATOM 733 CA PRO C 83 29.868 32.190 4.315 1.00 84.68 C ATOM 734 C PRO C 83 28.587 31.372 4.521 1.00 81.74 C ATOM 735 O PRO C 83 28.132 30.713 3.596 1.00 93.63 O ATOM 736 CB PRO C 83 30.000 32.687 2.874 1.00 78.32 C ATOM 737 CG PRO C 83 30.666 31.543 2.184 1.00 79.75 C ATOM 738 CD PRO C 83 31.633 30.954 3.223 1.00 87.66 C ATOM 739 HN2 PRO C 83 30.831 30.541 5.066 1.00 0.00 H ATOM 740 HN1 PRO C 83 31.782 31.946 5.013 1.00 0.00 H ATOM 741 N LYS C 84 28.028 31.389 5.727 1.00 69.63 N ATOM 742 CA LYS C 84 26.715 30.795 5.884 1.00 67.41 C ATOM 743 C LYS C 84 25.632 31.794 5.471 1.00 60.77 C ATOM 744 O LYS C 84 25.837 33.010 5.539 1.00 67.35 O ATOM 745 CB LYS C 84 26.516 30.293 7.306 1.00 74.64 C ATOM 746 CG LYS C 84 27.576 29.289 7.710 1.00 80.48 C ATOM 747 CD LYS C 84 27.645 28.115 6.713 1.00 80.00 C ATOM 748 CE LYS C 84 28.696 27.058 7.117 1.00 78.07 C ATOM 749 NZ LYS C 84 28.955 25.964 6.115 1.00 75.54 N ATOM 750 HZ1 LYS C 84 28.073 25.441 5.939 1.00 0.00 H ATOM 751 HZ2 LYS C 84 29.295 26.383 5.226 1.00 0.00 H ATOM 752 HZ3 LYS C 84 29.675 25.315 6.491 1.00 0.00 H ATOM 753 H LYS C 84 28.520 31.817 6.537 1.00 0.00 H ATOM 754 N LEU C 85 24.506 31.265 4.998 1.00 46.62 N ATOM 755 CA LEU C 85 23.395 32.071 4.514 1.00 47.45 C ATOM 756 C LEU C 85 22.252 31.956 5.504 1.00 49.24 C ATOM 757 O LEU C 85 21.394 31.074 5.390 1.00 53.09 O ATOM 758 CB LEU C 85 22.953 31.618 3.128 1.00 53.02 C ATOM 759 CG LEU C 85 23.834 32.011 1.953 1.00 54.75 C ATOM 760 CD1 LEU C 85 23.197 31.489 0.694 1.00 52.65 C ATOM 761 CD2 LEU C 85 23.976 33.519 1.915 1.00 61.39 C ATOM 762 H LEU C 85 24.416 30.229 4.973 1.00 0.00 H ATOM 763 N VAL C 86 22.261 32.842 6.490 1.00 44.82 N ATOM 764 CA VAL C 86 21.307 32.774 7.584 1.00 46.48 C ATOM 765 C VAL C 86 20.181 33.789 7.432 1.00 47.62 C ATOM 766 O VAL C 86 20.408 34.993 7.315 1.00 55.99 O ATOM 767 CB VAL C 86 22.002 32.987 8.936 1.00 46.46 C ATOM 768 CG1 VAL C 86 21.102 32.546 10.043 1.00 42.30 C ATOM 769 CG2 VAL C 86 23.303 32.185 8.988 1.00 51.71 C ATOM 770 H VAL C 86 22.968 33.604 6.480 1.00 0.00 H ATOM 771 N LEU C 87 18.959 33.287 7.421 1.00 41.58 N ATOM 772 CA LEU C 87 17.801 34.144 7.362 1.00 43.07 C ATOM 773 C LEU C 87 17.337 34.496 8.769 1.00 48.79 C ATOM 774 O LEU C 87 17.228 33.612 9.618 1.00 51.73 O ATOM 775 CB LEU C 87 16.677 33.453 6.592 1.00 42.62 C ATOM 776 CG LEU C 87 16.922 33.229 5.102 1.00 50.02 C ATOM 777 CD1 LEU C 87 15.674 32.628 4.437 1.00 43.77 C ATOM 778 CD2 LEU C 87 17.346 34.534 4.424 1.00 49.31 C ATOM 779 H LEU C 87 18.830 32.256 7.456 1.00 0.00 H ATOM 780 N ASP C 88 17.075 35.781 9.017 1.00 49.94 N ATOM 781 CA ASP C 88 16.333 36.186 10.211 1.00 47.31 C ATOM 782 C ASP C 88 14.850 36.216 9.873 1.00 47.74 C ATOM 783 O ASP C 88 14.384 37.100 9.152 1.00 53.50 O ATOM 784 CB ASP C 88 16.772 37.562 10.725 1.00 56.56 C ATOM 785 CG ASP C 88 16.234 37.865 12.133 1.00 67.29 C ATOM 786 OD1 ASP C 88 17.062 37.944 13.072 1.00 69.13 O ATOM 787 OD2 ASP C 88 14.994 38.005 12.308 1.00 61.45 O ATOM 788 H ASP C 88 17.404 36.507 8.349 1.00 0.00 H ATOM 789 N LEU C 89 14.101 35.256 10.392 1.00 50.30 N ATOM 790 CA LEU C 89 12.698 35.146 10.022 1.00 48.80 C ATOM 791 C LEU C 89 11.834 36.127 10.787 1.00 50.30 C ATOM 792 O LEU C 89 10.745 36.476 10.338 1.00 60.95 O ATOM 793 CB LEU C 89 12.199 33.722 10.239 1.00 55.46 C ATOM 794 CG LEU C 89 13.128 32.671 9.633 1.00 54.96 C ATOM 795 CD1 LEU C 89 12.764 31.301 10.174 1.00 60.92 C ATOM 796 CD2 LEU C 89 13.092 32.703 8.100 1.00 47.33 C ATOM 797 H LEU C 89 14.516 34.580 11.065 1.00 0.00 H ATOM 798 N GLU C 90 12.312 36.587 11.938 1.00 54.57 N ATOM 799 CA GLU C 90 11.598 37.655 12.636 1.00 62.16 C ATOM 800 C GLU C 90 11.580 38.925 11.792 1.00 53.24 C ATOM 801 O GLU C 90 10.527 39.559 11.644 1.00 52.59 O ATOM 802 CB GLU C 90 12.203 37.928 14.013 1.00 75.48 C ATOM 803 CG GLU C 90 11.404 37.275 15.121 1.00 93.19 C ATOM 804 CD GLU C 90 12.109 37.297 16.466 1.00 99.38 C ATOM 805 OE1 GLU C 90 12.205 38.393 17.073 1.00 88.51 O ATOM 806 OE2 GLU C 90 12.554 36.211 16.915 1.00108.37 O ATOM 807 H GLU C 90 13.186 36.191 12.339 1.00 0.00 H ATOM 808 N ARG C 91 12.732 39.287 11.230 1.00 50.45 N ATOM 809 CA ARG C 91 12.766 40.408 10.312 1.00 52.91 C ATOM 810 C ARG C 91 11.895 40.110 9.108 1.00 52.59 C ATOM 811 O ARG C 91 11.162 40.978 8.631 1.00 57.92 O ATOM 812 CB ARG C 91 14.183 40.713 9.861 1.00 56.61 C ATOM 813 CG ARG C 91 15.174 40.884 10.981 1.00 61.29 C ATOM 814 CD ARG C 91 15.143 42.284 11.567 1.00 67.24 C ATOM 815 NE ARG C 91 16.215 42.453 12.548 1.00 72.78 N ATOM 816 CZ ARG C 91 16.358 43.506 13.346 1.00 82.57 C ATOM 817 NH1 ARG C 91 15.489 44.511 13.306 1.00 84.23 N ATOM 818 NH2 ARG C 91 17.374 43.548 14.196 1.00 89.43 N ATOM 819 HE ARG C 91 16.919 41.691 12.627 1.00 0.00 H ATOM 820 HH12 ARG C 91 15.612 45.330 13.935 1.00 0.00 H ATOM 821 HH11 ARG C 91 14.687 44.479 12.645 1.00 0.00 H ATOM 822 HH22 ARG C 91 17.493 44.368 14.824 1.00 0.00 H ATOM 823 HH21 ARG C 91 18.052 42.761 14.235 1.00 0.00 H ATOM 824 H ARG C 91 13.605 38.766 11.449 1.00 0.00 H ATOM 825 N LEU C 92 11.955 38.875 8.624 1.00 48.01 N ATOM 826 CA LEU C 92 11.255 38.532 7.390 1.00 51.61 C ATOM 827 C LEU C 92 9.739 38.663 7.510 1.00 64.32 C ATOM 828 O LEU C 92 9.052 38.954 6.526 1.00 69.57 O ATOM 829 CB LEU C 92 11.621 37.118 6.944 1.00 51.30 C ATOM 830 CG LEU C 92 11.222 36.821 5.501 1.00 52.97 C ATOM 831 CD1 LEU C 92 11.550 38.002 4.619 1.00 51.37 C ATOM 832 CD2 LEU C 92 11.926 35.564 5.004 1.00 70.34 C ATOM 833 H LEU C 92 12.504 38.148 9.127 1.00 0.00 H ATOM 834 N ALA C 93 9.226 38.460 8.719 1.00 73.81 N ATOM 835 CA ALA C 93 7.796 38.551 8.982 1.00 69.96 C ATOM 836 C ALA C 93 7.338 40.008 9.074 1.00 74.04 C ATOM 837 O ALA C 93 6.148 40.283 9.236 1.00 77.19 O ATOM 838 CB ALA C 93 7.450 37.806 10.260 1.00 67.61 C ATOM 839 H ALA C 93 9.867 38.228 9.504 1.00 0.00 H ATOM 840 N HIS C 94 8.287 40.937 8.977 1.00 71.83 N ATOM 841 CA HIS C 94 7.978 42.366 9.067 1.00 71.10 C ATOM 842 C HIS C 94 8.156 43.094 7.736 1.00 74.38 C ATOM 843 O HIS C 94 8.021 44.318 7.662 1.00 81.43 O ATOM 844 CB HIS C 94 8.851 43.040 10.124 1.00 70.58 C ATOM 845 CG HIS C 94 8.450 42.724 11.531 1.00 79.25 C ATOM 846 ND1 HIS C 94 8.111 41.457 11.941 1.00 78.98 N ATOM 847 CD2 HIS C 94 8.341 43.520 12.625 1.00 86.62 C ATOM 848 CE1 HIS C 94 7.807 41.479 13.230 1.00 77.89 C ATOM 849 NE2 HIS C 94 7.937 42.715 13.664 1.00 86.12 N ATOM 850 H HIS C 94 9.273 40.640 8.834 1.00 0.00 H ATOM 851 N VAL C 95 8.464 42.340 6.688 1.00 68.54 N ATOM 852 CA VAL C 95 8.660 42.910 5.364 1.00 70.22 C ATOM 853 C VAL C 95 7.348 42.783 4.593 1.00 78.12 C ATOM 854 O VAL C 95 6.725 41.723 4.615 1.00 77.52 O ATOM 855 CB VAL C 95 9.818 42.203 4.626 1.00 61.77 C ATOM 856 CG1 VAL C 95 9.940 42.714 3.200 1.00 63.14 C ATOM 857 CG2 VAL C 95 11.134 42.381 5.400 1.00 56.70 C ATOM 858 H VAL C 95 8.568 41.313 6.817 1.00 0.00 H ATOM 859 N PRO C 96 6.894 43.863 3.936 1.00 83.12 N ATOM 860 CA PRO C 96 5.567 43.625 3.354 1.00 85.43 C ATOM 861 C PRO C 96 5.531 42.668 2.164 1.00 85.10 C ATOM 862 O PRO C 96 6.413 42.561 1.318 1.00 81.85 O ATOM 863 CB PRO C 96 5.080 45.022 2.958 1.00 87.65 C ATOM 864 CG PRO C 96 6.248 45.934 3.079 1.00 92.99 C ATOM 865 CD PRO C 96 7.261 45.289 3.980 1.00 87.63 C ATOM 866 N GLN C 97 4.379 42.023 2.129 1.00 90.57 N ATOM 867 CA GLN C 97 4.114 40.727 1.539 1.00 87.74 C ATOM 868 C GLN C 97 4.435 40.517 0.056 1.00 81.53 C ATOM 869 O GLN C 97 5.074 39.533 -0.295 1.00 75.29 O ATOM 870 CB GLN C 97 2.635 40.428 1.827 1.00 99.90 C ATOM 871 CG GLN C 97 1.875 39.661 0.793 1.00105.02 C ATOM 872 CD GLN C 97 2.140 38.189 0.864 1.00104.51 C ATOM 873 OE1 GLN C 97 2.266 37.615 1.946 1.00108.26 O ATOM 874 NE2 GLN C 97 2.185 37.553 -0.293 1.00103.77 N ATOM 875 HE22 GLN C 97 2.073 38.082 -1.182 1.00 0.00 H ATOM 876 HE21 GLN C 97 2.332 36.524 -0.315 1.00 0.00 H ATOM 877 H GLN C 97 3.570 42.500 2.576 1.00 0.00 H ATOM 878 N GLU C 98 4.011 41.417 -0.821 1.00 83.73 N ATOM 879 CA GLU C 98 4.165 41.156 -2.251 1.00 81.21 C ATOM 880 C GLU C 98 5.566 41.482 -2.771 1.00 85.20 C ATOM 881 O GLU C 98 5.805 41.496 -3.982 1.00 88.99 O ATOM 882 CB GLU C 98 3.104 41.913 -3.057 1.00 75.62 C ATOM 883 CG GLU C 98 3.201 43.408 -2.983 1.00 76.78 C ATOM 884 CD GLU C 98 2.540 43.983 -1.739 1.00 88.79 C ATOM 885 OE1 GLU C 98 2.101 43.215 -0.865 1.00 93.11 O ATOM 886 OE2 GLU C 98 2.442 45.220 -1.645 1.00 99.48 O ATOM 887 H GLU C 98 3.572 42.301 -0.494 1.00 0.00 H ATOM 888 N LYS C 99 6.498 41.724 -1.857 1.00 79.96 N ATOM 889 CA LYS C 99 7.901 41.647 -2.230 1.00 81.39 C ATOM 890 C LYS C 99 8.656 40.616 -1.377 1.00 77.99 C ATOM 891 O LYS C 99 9.689 40.114 -1.789 1.00 70.56 O ATOM 892 CB LYS C 99 8.575 43.024 -2.153 1.00 79.42 C ATOM 893 CG LYS C 99 8.442 43.774 -0.850 1.00 80.86 C ATOM 894 CD LYS C 99 9.379 44.981 -0.878 1.00 85.77 C ATOM 895 CE LYS C 99 8.854 46.152 -0.059 1.00 87.10 C ATOM 896 NZ LYS C 99 9.659 47.395 -0.256 1.00 90.82 N ATOM 897 HZ1 LYS C 99 10.643 47.218 0.031 1.00 0.00 H ATOM 898 HZ2 LYS C 99 9.633 47.668 -1.259 1.00 0.00 H ATOM 899 HZ3 LYS C 99 9.260 48.161 0.323 1.00 0.00 H ATOM 900 H LYS C 99 6.227 41.967 -0.883 1.00 0.00 H ATOM 901 N ALA C 100 8.137 40.274 -0.204 1.00 72.12 N ATOM 902 CA ALA C 100 8.780 39.238 0.598 1.00 66.56 C ATOM 903 C ALA C 100 8.144 37.861 0.380 1.00 74.63 C ATOM 904 O ALA C 100 8.750 36.832 0.691 1.00 73.59 O ATOM 905 CB ALA C 100 8.737 39.601 2.058 1.00 67.08 C ATOM 906 H ALA C 100 7.275 40.743 0.142 1.00 0.00 H ATOM 907 N GLY C 101 6.928 37.856 -0.162 1.00 76.73 N ATOM 908 CA GLY C 101 6.143 36.646 -0.377 1.00 69.15 C ATOM 909 C GLY C 101 6.813 35.383 -0.896 1.00 61.66 C ATOM 910 O GLY C 101 6.709 34.329 -0.275 1.00 54.30 O ATOM 911 H GLY C 101 6.515 38.766 -0.448 1.00 0.00 H ATOM 912 N PRO C 102 7.485 35.469 -2.049 1.00 62.77 N ATOM 913 CA PRO C 102 8.164 34.274 -2.561 1.00 55.16 C ATOM 914 C PRO C 102 9.230 33.730 -1.601 1.00 53.51 C ATOM 915 O PRO C 102 9.362 32.516 -1.449 1.00 52.14 O ATOM 916 CB PRO C 102 8.811 34.770 -3.851 1.00 57.13 C ATOM 917 CG PRO C 102 8.102 36.027 -4.208 1.00 59.64 C ATOM 918 CD PRO C 102 7.669 36.636 -2.928 1.00 64.23 C ATOM 919 N LEU C 103 9.974 34.633 -0.966 1.00 56.21 N ATOM 920 CA LEU C 103 11.016 34.263 -0.020 1.00 57.31 C ATOM 921 C LEU C 103 10.428 33.648 1.241 1.00 58.84 C ATOM 922 O LEU C 103 10.920 32.632 1.743 1.00 58.43 O ATOM 923 CB LEU C 103 11.863 35.479 0.347 1.00 60.39 C ATOM 924 CG LEU C 103 12.915 35.223 1.424 1.00 53.21 C ATOM 925 CD1 LEU C 103 13.871 34.127 0.968 1.00 43.90 C ATOM 926 CD2 LEU C 103 13.659 36.497 1.738 1.00 53.90 C ATOM 927 H LEU C 103 9.804 35.642 -1.153 1.00 0.00 H ATOM 928 N GLN C 104 9.376 34.273 1.750 1.00 56.56 N ATOM 929 CA GLN C 104 8.687 33.773 2.928 1.00 60.14 C ATOM 930 C GLN C 104 8.116 32.368 2.693 1.00 54.03 C ATOM 931 O GLN C 104 8.129 31.525 3.590 1.00 42.86 O ATOM 932 CB GLN C 104 7.580 34.748 3.327 1.00 70.80 C ATOM 933 CG GLN C 104 6.872 34.430 4.638 1.00 84.19 C ATOM 934 CD GLN C 104 7.821 34.208 5.800 1.00 86.93 C ATOM 935 OE1 GLN C 104 8.336 33.103 6.002 1.00 88.81 O ATOM 936 NE2 GLN C 104 8.056 35.264 6.575 1.00 80.68 N ATOM 937 HE22 GLN C 104 7.599 36.175 6.366 1.00 0.00 H ATOM 938 HE21 GLN C 104 8.696 35.179 7.390 1.00 0.00 H ATOM 939 H GLN C 104 9.035 35.144 1.295 1.00 0.00 H ATOM 940 N ARG C 105 7.626 32.113 1.484 1.00 54.11 N ATOM 941 CA ARG C 105 7.073 30.804 1.153 1.00 57.15 C ATOM 942 C ARG C 105 8.201 29.764 1.021 1.00 58.97 C ATOM 943 O ARG C 105 8.055 28.583 1.381 1.00 48.29 O ATOM 944 CB ARG C 105 6.240 30.890 -0.131 1.00 53.20 C ATOM 945 CG ARG C 105 4.918 31.647 0.044 1.00 46.81 C ATOM 946 CD ARG C 105 4.019 31.538 -1.173 1.00 49.77 C ATOM 947 NE ARG C 105 4.571 32.134 -2.386 1.00 57.89 N ATOM 948 CZ ARG C 105 4.372 33.397 -2.764 1.00 66.47 C ATOM 949 NH1 ARG C 105 3.647 34.211 -2.007 1.00 64.17 N ATOM 950 NH2 ARG C 105 4.911 33.852 -3.893 1.00 69.54 N ATOM 951 HE ARG C 105 5.160 31.532 -2.997 1.00 0.00 H ATOM 952 HH12 ARG C 105 3.492 35.196 -2.303 1.00 0.00 H ATOM 953 HH11 ARG C 105 3.234 33.864 -1.118 1.00 0.00 H ATOM 954 HH22 ARG C 105 4.753 34.838 -4.184 1.00 0.00 H ATOM 955 HH21 ARG C 105 5.490 33.222 -4.484 1.00 0.00 H ATOM 956 H ARG C 105 7.637 32.860 0.761 1.00 0.00 H ATOM 957 N TYR C 106 9.340 30.236 0.525 1.00 57.54 N ATOM 958 CA TYR C 106 10.524 29.415 0.372 1.00 43.82 C ATOM 959 C TYR C 106 11.074 28.983 1.730 1.00 46.40 C ATOM 960 O TYR C 106 11.330 27.800 1.956 1.00 52.02 O ATOM 961 CB TYR C 106 11.583 30.178 -0.412 1.00 40.78 C ATOM 962 CG TYR C 106 12.611 29.292 -1.067 1.00 45.73 C ATOM 963 CD1 TYR C 106 12.507 28.946 -2.408 1.00 57.36 C ATOM 964 CD2 TYR C 106 13.690 28.804 -0.349 1.00 39.52 C ATOM 965 CE1 TYR C 106 13.459 28.138 -3.013 1.00 54.79 C ATOM 966 CE2 TYR C 106 14.636 27.997 -0.940 1.00 42.58 C ATOM 967 CZ TYR C 106 14.518 27.663 -2.271 1.00 49.49 C ATOM 968 OH TYR C 106 15.476 26.859 -2.853 1.00 52.15 O ATOM 969 HH TYR C 106 16.360 27.300 -2.787 1.00 0.00 H ATOM 970 H TYR C 106 9.383 31.234 0.235 1.00 0.00 H ATOM 971 N ALA C 107 11.254 29.939 2.635 1.00 44.19 N ATOM 972 CA ALA C 107 11.724 29.621 3.982 1.00 47.37 C ATOM 973 C ALA C 107 10.758 28.682 4.701 1.00 56.24 C ATOM 974 O ALA C 107 11.168 27.733 5.386 1.00 49.96 O ATOM 975 CB ALA C 107 11.909 30.876 4.782 1.00 35.92 C ATOM 976 H ALA C 107 11.058 30.928 2.381 1.00 0.00 H ATOM 977 N ALA C 108 9.470 28.953 4.526 1.00 53.32 N ATOM 978 CA ALA C 108 8.430 28.177 5.176 1.00 45.08 C ATOM 979 C ALA C 108 8.478 26.711 4.749 1.00 43.66 C ATOM 980 O ALA C 108 8.304 25.822 5.575 1.00 43.04 O ATOM 981 CB ALA C 108 7.082 28.776 4.875 1.00 41.18 C ATOM 982 H ALA C 108 9.199 29.743 3.906 1.00 0.00 H ATOM 983 N THR C 109 8.710 26.463 3.462 1.00 40.32 N ATOM 984 CA THR C 109 8.825 25.093 2.961 1.00 49.87 C ATOM 985 C THR C 109 10.065 24.386 3.504 1.00 45.47 C ATOM 986 O THR C 109 10.002 23.212 3.882 1.00 47.23 O ATOM 987 CB THR C 109 8.899 25.031 1.428 1.00 55.94 C ATOM 988 OG1 THR C 109 7.993 25.980 0.851 1.00 58.50 O ATOM 989 CG2 THR C 109 8.568 23.625 0.957 1.00 54.98 C ATOM 990 HG1 THR C 109 8.236 26.891 1.152 1.00 0.00 H ATOM 991 H THR C 109 8.812 27.258 2.800 1.00 0.00 H ATOM 992 N ILE C 110 11.191 25.094 3.524 1.00 32.54 N ATOM 993 CA ILE C 110 12.394 24.539 4.125 1.00 37.75 C ATOM 994 C ILE C 110 12.156 24.177 5.599 1.00 40.54 C ATOM 995 O ILE C 110 12.499 23.071 6.027 1.00 44.71 O ATOM 996 CB ILE C 110 13.582 25.496 4.003 1.00 30.37 C ATOM 997 CG1 ILE C 110 13.881 25.767 2.529 1.00 28.37 C ATOM 998 CG2 ILE C 110 14.790 24.914 4.703 1.00 27.17 C ATOM 999 CD1 ILE C 110 15.183 26.496 2.298 1.00 29.08 C ATOM 1000 H ILE C 110 11.211 26.047 3.109 1.00 0.00 H ATOM 1001 N GLN C 111 11.544 25.088 6.355 1.00 37.37 N ATOM 1002 CA GLN C 111 11.117 24.800 7.727 1.00 38.21 C ATOM 1003 C GLN C 111 10.237 23.554 7.810 1.00 48.27 C ATOM 1004 O GLN C 111 10.354 22.761 8.739 1.00 53.69 O ATOM 1005 CB GLN C 111 10.374 25.999 8.317 1.00 44.16 C ATOM 1006 CG GLN C 111 11.306 27.098 8.797 1.00 47.96 C ATOM 1007 CD GLN C 111 10.580 28.314 9.323 1.00 54.49 C ATOM 1008 OE1 GLN C 111 9.830 28.968 8.598 1.00 62.30 O ATOM 1009 NE2 GLN C 111 10.801 28.627 10.597 1.00 56.75 N ATOM 1010 HE22 GLN C 111 11.443 28.045 11.172 1.00 0.00 H ATOM 1011 HE21 GLN C 111 10.331 29.454 11.018 1.00 0.00 H ATOM 1012 H GLN C 111 11.364 26.033 5.959 1.00 0.00 H ATOM 1013 N SER C 112 9.376 23.377 6.815 1.00 52.35 N ATOM 1014 CA SER C 112 8.432 22.271 6.782 1.00 51.43 C ATOM 1015 C SER C 112 9.112 20.926 6.570 1.00 48.34 C ATOM 1016 O SER C 112 8.961 20.007 7.375 1.00 54.16 O ATOM 1017 CB SER C 112 7.399 22.514 5.684 1.00 66.96 C ATOM 1018 OG SER C 112 6.522 21.413 5.562 1.00 86.30 O ATOM 1019 HG SER C 112 7.042 20.602 5.336 1.00 0.00 H ATOM 1020 H SER C 112 9.377 24.056 6.028 1.00 0.00 H ATOM 1021 N GLN C 113 9.855 20.807 5.478 1.00 46.92 N ATOM 1022 CA GLN C 113 10.573 19.572 5.170 1.00 42.35 C ATOM 1023 C GLN C 113 11.560 19.131 6.263 1.00 43.26 C ATOM 1024 O GLN C 113 11.832 17.945 6.426 1.00 53.68 O ATOM 1025 CB GLN C 113 11.316 19.739 3.857 1.00 40.91 C ATOM 1026 CG GLN C 113 10.441 19.692 2.632 1.00 43.07 C ATOM 1027 CD GLN C 113 10.917 20.649 1.568 1.00 52.71 C ATOM 1028 OE1 GLN C 113 11.959 21.291 1.721 1.00 54.29 O ATOM 1029 NE2 GLN C 113 10.161 20.755 0.479 1.00 51.59 N ATOM 1030 HE22 GLN C 113 9.290 20.193 0.394 1.00 0.00 H ATOM 1031 HE21 GLN C 113 10.441 21.400 -0.288 1.00 0.00 H ATOM 1032 H GLN C 113 9.929 21.613 4.825 1.00 0.00 H ATOM 1033 N ARG C 114 12.110 20.089 6.999 1.00 45.20 N ATOM 1034 CA ARG C 114 13.009 19.775 8.103 1.00 46.91 C ATOM 1035 C ARG C 114 12.220 19.327 9.322 1.00 53.68 C ATOM 1036 O ARG C 114 12.761 18.691 10.224 1.00 56.50 O ATOM 1037 CB ARG C 114 13.871 20.989 8.472 1.00 43.35 C ATOM 1038 CG ARG C 114 14.844 21.435 7.393 1.00 38.70 C ATOM 1039 CD ARG C 114 15.869 22.414 7.939 1.00 30.42 C ATOM 1040 NE ARG C 114 16.713 22.941 6.879 1.00 30.72 N ATOM 1041 CZ ARG C 114 17.610 23.909 7.038 1.00 32.38 C ATOM 1042 NH1 ARG C 114 17.789 24.461 8.230 1.00 30.48 N ATOM 1043 NH2 ARG C 114 18.329 24.325 6.003 1.00 29.33 N ATOM 1044 HE ARG C 114 16.607 22.532 5.929 1.00 0.00 H ATOM 1045 HH12 ARG C 114 18.491 25.218 8.352 1.00 0.00 H ATOM 1046 HH11 ARG C 114 17.227 24.137 9.043 1.00 0.00 H ATOM 1047 HH22 ARG C 114 19.031 25.082 6.128 1.00 0.00 H ATOM 1048 HH21 ARG C 114 18.191 23.894 5.067 1.00 0.00 H ATOM 1049 H ARG C 114 11.895 21.084 6.784 1.00 0.00 H ATOM 1050 N GLY C 115 10.935 19.667 9.347 1.00 54.85 N ATOM 1051 CA GLY C 115 10.134 19.456 10.531 1.00 52.10 C ATOM 1052 C GLY C 115 10.646 20.347 11.646 1.00 64.32 C ATOM 1053 O GLY C 115 10.703 19.932 12.805 1.00 78.33 O ATOM 1054 H GLY C 115 10.500 20.091 8.503 1.00 0.00 H ATOM 1055 N ALA C 116 11.034 21.570 11.288 1.00 63.37 N ATOM 1056 CA ALA C 116 11.498 22.570 12.253 1.00 60.04 C ATOM 1057 C ALA C 116 10.817 23.909 12.013 1.00 62.04 C ATOM 1058 O ALA C 116 11.209 24.659 11.122 1.00 58.86 O ATOM 1059 CB ALA C 116 13.005 22.739 12.178 1.00 48.65 C ATOM 1060 H ALA C 116 11.006 21.826 10.280 1.00 0.00 H ATOM 1061 N TYR C 117 9.808 24.205 12.826 1.00 65.98 N ATOM 1062 CA TYR C 117 8.985 25.394 12.656 1.00 62.56 C ATOM 1063 C TYR C 117 9.326 26.396 13.751 1.00 67.34 C ATOM 1064 O TYR C 117 8.837 27.528 13.784 1.00 68.10 O ATOM 1065 CB TYR C 117 7.507 25.015 12.703 1.00 60.84 C ATOM 1066 CG TYR C 117 7.152 23.822 11.836 1.00 54.40 C ATOM 1067 CD1 TYR C 117 6.717 23.992 10.531 1.00 46.98 C ATOM 1068 CD2 TYR C 117 7.234 22.531 12.335 1.00 52.27 C ATOM 1069 CE1 TYR C 117 6.381 22.908 9.742 1.00 57.13 C ATOM 1070 CE2 TYR C 117 6.906 21.443 11.556 1.00 54.91 C ATOM 1071 CZ TYR C 117 6.476 21.634 10.255 1.00 61.76 C ATOM 1072 OH TYR C 117 6.149 20.547 9.466 1.00 62.73 O ATOM 1073 HH TYR C 117 5.864 20.863 8.572 1.00 0.00 H ATOM 1074 H TYR C 117 9.598 23.561 13.615 1.00 0.00 H ATOM 1075 N ASN C 118 10.206 25.941 14.629 1.00 75.89 N ATOM 1076 CA ASN C 118 10.558 26.585 15.886 1.00 77.51 C ATOM 1077 C ASN C 118 11.390 27.864 15.790 1.00 69.86 C ATOM 1078 O ASN C 118 11.276 28.758 16.626 1.00 69.57 O ATOM 1079 CB ASN C 118 11.332 25.564 16.717 1.00 83.83 C ATOM 1080 CG ASN C 118 12.388 24.822 15.884 1.00 86.40 C ATOM 1081 OD1 ASN C 118 12.989 25.393 14.969 1.00 77.41 O ATOM 1082 ND2 ASN C 118 12.595 23.544 16.185 1.00 92.29 N ATOM 1083 HD22 ASN C 118 12.067 23.101 16.964 1.00 0.00 H ATOM 1084 HD21 ASN C 118 13.285 22.987 15.641 1.00 0.00 H ATOM 1085 H ASN C 118 10.687 25.047 14.401 1.00 0.00 H ATOM 1086 N GLY C 119 12.223 27.935 14.760 1.00 65.15 N ATOM 1087 CA GLY C 119 13.437 28.729 14.794 1.00 60.54 C ATOM 1088 C GLY C 119 13.400 30.238 14.687 1.00 65.01 C ATOM 1089 O GLY C 119 12.530 30.828 14.044 1.00 61.30 O ATOM 1090 H GLY C 119 11.998 27.402 13.896 1.00 0.00 H ATOM 1091 N LYS C 120 14.387 30.856 15.328 1.00 72.17 N ATOM 1092 CA LYS C 120 14.638 32.284 15.224 1.00 76.52 C ATOM 1093 C LYS C 120 15.084 32.589 13.813 1.00 68.89 C ATOM 1094 O LYS C 120 14.755 33.618 13.213 1.00 63.50 O ATOM 1095 CB LYS C 120 15.747 32.695 16.189 1.00 87.54 C ATOM 1096 CG LYS C 120 15.532 32.294 17.644 1.00 98.37 C ATOM 1097 CD LYS C 120 16.372 33.141 18.590 1.00102.90 C ATOM 1098 CE LYS C 120 17.536 33.812 17.857 1.00103.22 C ATOM 1099 NZ LYS C 120 18.159 34.909 18.643 1.00103.90 N ATOM 1100 HZ1 LYS C 120 17.446 35.639 18.842 1.00 0.00 H ATOM 1101 HZ2 LYS C 120 18.525 34.527 19.538 1.00 0.00 H ATOM 1102 HZ3 LYS C 120 18.940 35.325 18.097 1.00 0.00 H ATOM 1103 H LYS C 120 15.012 30.288 15.935 1.00 0.00 H ATOM 1104 N VAL C 121 15.825 31.624 13.290 1.00 63.29 N ATOM 1105 CA VAL C 121 16.820 31.863 12.273 1.00 55.50 C ATOM 1106 C VAL C 121 16.949 30.643 11.360 1.00 55.32 C ATOM 1107 O VAL C 121 16.949 29.496 11.820 1.00 64.79 O ATOM 1108 CB VAL C 121 18.170 32.234 12.963 1.00 69.03 C ATOM 1109 CG1 VAL C 121 19.278 31.236 12.652 1.00 69.73 C ATOM 1110 CG2 VAL C 121 18.574 33.668 12.623 1.00 63.51 C ATOM 1111 H VAL C 121 15.683 30.651 13.627 1.00 0.00 H ATOM 1112 N LEU C 122 17.014 30.879 10.057 1.00 43.36 N ATOM 1113 CA LEU C 122 17.063 29.751 9.136 1.00 37.08 C ATOM 1114 C LEU C 122 18.305 29.787 8.272 1.00 38.40 C ATOM 1115 O LEU C 122 18.549 30.759 7.557 1.00 37.18 O ATOM 1116 CB LEU C 122 15.821 29.724 8.251 1.00 39.57 C ATOM 1117 CG LEU C 122 15.649 28.459 7.415 1.00 35.71 C ATOM 1118 CD1 LEU C 122 15.371 27.273 8.312 1.00 35.02 C ATOM 1119 CD2 LEU C 122 14.538 28.640 6.395 1.00 43.64 C ATOM 1120 H LEU C 122 17.030 31.855 9.698 1.00 0.00 H ATOM 1121 N SER C 123 19.092 28.721 8.350 1.00 35.94 N ATOM 1122 CA SER C 123 20.272 28.576 7.508 1.00 35.50 C ATOM 1123 C SER C 123 19.882 27.855 6.217 1.00 37.94 C ATOM 1124 O SER C 123 19.213 26.822 6.248 1.00 35.65 O ATOM 1125 CB SER C 123 21.373 27.816 8.237 1.00 37.12 C ATOM 1126 OG SER C 123 22.637 28.074 7.650 1.00 53.10 O ATOM 1127 HG SER C 123 23.335 27.571 8.139 1.00 0.00 H ATOM 1128 H SER C 123 18.860 27.969 9.030 1.00 0.00 H ATOM 1129 N ILE C 124 20.275 28.408 5.079 1.00 35.22 N ATOM 1130 CA ILE C 124 19.823 27.843 3.821 1.00 34.92 C ATOM 1131 C ILE C 124 20.986 27.508 2.909 1.00 31.58 C ATOM 1132 O ILE C 124 22.094 28.026 3.067 1.00 26.64 O ATOM 1133 CB ILE C 124 18.857 28.800 3.073 1.00 44.74 C ATOM 1134 CG1 ILE C 124 19.584 30.087 2.665 1.00 35.34 C ATOM 1135 CG2 ILE C 124 17.595 29.073 3.902 1.00 38.94 C ATOM 1136 CD1 ILE C 124 18.813 30.904 1.659 1.00 29.42 C ATOM 1137 H ILE C 124 20.901 29.238 5.087 1.00 0.00 H ATOM 1138 N ARG C 125 20.713 26.636 1.946 1.00 26.91 N ATOM 1139 CA ARG C 125 21.726 26.174 1.015 1.00 29.68 C ATOM 1140 C ARG C 125 22.182 27.276 0.077 1.00 30.69 C ATOM 1141 O ARG C 125 21.365 28.060 -0.419 1.00 30.43 O ATOM 1142 CB ARG C 125 21.199 24.993 0.197 1.00 30.71 C ATOM 1143 CG ARG C 125 20.815 23.793 1.035 1.00 29.93 C ATOM 1144 CD ARG C 125 20.527 22.584 0.185 1.00 27.27 C ATOM 1145 NE ARG C 125 20.142 21.450 1.009 1.00 26.10 N ATOM 1146 CZ ARG C 125 19.653 20.314 0.530 1.00 35.55 C ATOM 1147 NH1 ARG C 125 19.492 20.165 -0.784 1.00 36.00 N ATOM 1148 NH2 ARG C 125 19.322 19.331 1.360 1.00 34.97 N ATOM 1149 HE ARG C 125 20.257 21.535 2.039 1.00 0.00 H ATOM 1150 HH12 ARG C 125 19.109 19.276 -1.163 1.00 0.00 H ATOM 1151 HH11 ARG C 125 19.749 20.938 -1.430 1.00 0.00 H ATOM 1152 HH22 ARG C 125 18.939 18.440 0.984 1.00 0.00 H ATOM 1153 HH21 ARG C 125 19.446 19.452 2.385 1.00 0.00 H ATOM 1154 H ARG C 125 19.743 26.273 1.856 1.00 0.00 H ATOM 1155 N GLN C 126 23.491 27.318 -0.154 1.00 29.75 N ATOM 1156 CA GLN C 126 24.087 28.138 -1.202 1.00 36.86 C ATOM 1157 C GLN C 126 23.248 28.117 -2.490 1.00 38.25 C ATOM 1158 O GLN C 126 22.997 29.158 -3.095 1.00 49.68 O ATOM 1159 CB GLN C 126 25.503 27.648 -1.485 1.00 46.69 C ATOM 1160 CG GLN C 126 26.464 28.729 -1.869 1.00 65.11 C ATOM 1161 CD GLN C 126 26.335 29.942 -0.983 1.00 72.94 C ATOM 1162 OE1 GLN C 126 26.101 31.045 -1.470 1.00 84.22 O ATOM 1163 NE2 GLN C 126 26.492 29.751 0.327 1.00 65.73 N ATOM 1164 HE22 GLN C 126 26.689 28.798 0.694 1.00 0.00 H ATOM 1165 HE21 GLN C 126 26.417 30.555 0.982 1.00 0.00 H ATOM 1166 H GLN C 126 24.118 26.739 0.440 1.00 0.00 H ATOM 1167 N ASP C 127 22.797 26.925 -2.877 1.00 32.78 N ATOM 1168 CA ASP C 127 21.947 26.720 -4.048 1.00 36.81 C ATOM 1169 C ASP C 127 20.547 27.361 -3.923 1.00 48.84 C ATOM 1170 O ASP C 127 19.833 27.506 -4.914 1.00 47.62 O ATOM 1171 CB ASP C 127 21.789 25.216 -4.311 1.00 41.87 C ATOM 1172 CG ASP C 127 23.030 24.581 -4.952 1.00 65.37 C ATOM 1173 OD1 ASP C 127 24.047 25.274 -5.171 1.00 76.45 O ATOM 1174 OD2 ASP C 127 22.989 23.363 -5.217 1.00 73.94 O ATOM 1175 H ASP C 127 23.065 26.093 -2.314 1.00 0.00 H ATOM 1176 N ASP C 128 20.140 27.718 -2.708 1.00 46.92 N ATOM 1177 CA ASP C 128 18.817 28.299 -2.525 1.00 40.40 C ATOM 1178 C ASP C 128 18.864 29.753 -2.924 1.00 42.88 C ATOM 1179 O ASP C 128 17.877 30.313 -3.409 1.00 34.61 O ATOM 1180 CB ASP C 128 18.344 28.166 -1.079 1.00 40.01 C ATOM 1181 CG ASP C 128 17.999 26.746 -0.712 1.00 40.43 C ATOM 1182 OD1 ASP C 128 17.414 26.039 -1.561 1.00 36.23 O ATOM 1183 OD2 ASP C 128 18.314 26.347 0.426 1.00 37.97 O ATOM 1184 H ASP C 128 20.766 27.582 -1.889 1.00 0.00 H ATOM 1185 N LEU C 129 20.023 30.365 -2.702 1.00 45.26 N ATOM 1186 CA LEU C 129 20.203 31.768 -3.037 1.00 46.07 C ATOM 1187 C LEU C 129 20.045 31.912 -4.539 1.00 50.04 C ATOM 1188 O LEU C 129 19.326 32.783 -5.011 1.00 49.05 O ATOM 1189 CB LEU C 129 21.564 32.268 -2.563 1.00 47.60 C ATOM 1190 CG LEU C 129 22.008 33.683 -2.936 1.00 53.32 C ATOM 1191 CD1 LEU C 129 21.041 34.722 -2.401 1.00 48.79 C ATOM 1192 CD2 LEU C 129 23.417 33.945 -2.414 1.00 53.45 C ATOM 1193 H LEU C 129 20.812 29.833 -2.283 1.00 0.00 H ATOM 1194 N ARG C 130 20.686 31.012 -5.277 1.00 52.79 N ATOM 1195 CA ARG C 130 20.601 30.999 -6.730 1.00 54.65 C ATOM 1196 C ARG C 130 19.154 30.930 -7.191 1.00 53.28 C ATOM 1197 O ARG C 130 18.711 31.766 -7.981 1.00 52.25 O ATOM 1198 CB ARG C 130 21.386 29.821 -7.301 1.00 57.89 C ATOM 1199 CG ARG C 130 22.399 30.216 -8.332 1.00 68.03 C ATOM 1200 CD ARG C 130 23.803 29.937 -7.835 1.00 78.21 C ATOM 1201 NE ARG C 130 24.003 28.532 -7.487 1.00 83.53 N ATOM 1202 CZ ARG C 130 24.855 28.103 -6.560 1.00 81.19 C ATOM 1203 NH1 ARG C 130 25.587 28.964 -5.864 1.00 81.13 N ATOM 1204 NH2 ARG C 130 24.970 26.807 -6.326 1.00 73.54 N ATOM 1205 HE ARG C 130 23.442 27.821 -7.998 1.00 0.00 H ATOM 1206 HH12 ARG C 130 26.250 28.618 -5.141 1.00 0.00 H ATOM 1207 HH11 ARG C 130 25.497 29.985 -6.041 1.00 0.00 H ATOM 1208 HH22 ARG C 130 25.635 26.466 -5.602 1.00 0.00 H ATOM 1209 HH21 ARG C 130 24.396 26.128 -6.866 1.00 0.00 H ATOM 1210 H ARG C 130 21.268 30.293 -4.801 1.00 0.00 H ATOM 1211 N THR C 131 18.429 29.933 -6.690 1.00 48.88 N ATOM 1212 CA THR C 131 17.020 29.766 -7.017 1.00 49.67 C ATOM 1213 C THR C 131 16.194 30.998 -6.659 1.00 58.12 C ATOM 1214 O THR C 131 15.323 31.413 -7.421 1.00 68.06 O ATOM 1215 CB THR C 131 16.417 28.558 -6.293 1.00 57.54 C ATOM 1216 OG1 THR C 131 17.045 27.356 -6.751 1.00 60.64 O ATOM 1217 CG2 THR C 131 14.916 28.472 -6.554 1.00 56.79 C ATOM 1218 HG1 THR C 131 16.651 26.579 -6.280 1.00 0.00 H ATOM 1219 H THR C 131 18.882 29.253 -6.046 1.00 0.00 H ATOM 1220 N LEU C 132 16.469 31.588 -5.502 1.00 59.77 N ATOM 1221 CA LEU C 132 15.698 32.742 -5.054 1.00 63.69 C ATOM 1222 C LEU C 132 15.909 33.940 -5.982 1.00 63.62 C ATOM 1223 O LEU C 132 14.982 34.714 -6.230 1.00 70.75 O ATOM 1224 CB LEU C 132 16.063 33.095 -3.611 1.00 54.08 C ATOM 1225 CG LEU C 132 15.386 32.217 -2.559 1.00 46.90 C ATOM 1226 CD1 LEU C 132 16.074 32.345 -1.213 1.00 40.70 C ATOM 1227 CD2 LEU C 132 13.929 32.595 -2.450 1.00 46.26 C ATOM 1228 H LEU C 132 17.242 31.224 -4.909 1.00 0.00 H ATOM 1229 N ALA C 133 17.129 34.081 -6.486 1.00 53.98 N ATOM 1230 CA ALA C 133 17.455 35.113 -7.461 1.00 64.14 C ATOM 1231 C ALA C 133 16.546 34.997 -8.679 1.00 69.81 C ATOM 1232 O ALA C 133 15.960 35.978 -9.130 1.00 75.51 O ATOM 1233 CB ALA C 133 18.925 35.011 -7.869 1.00 68.78 C ATOM 1234 H ALA C 133 17.879 33.431 -6.174 1.00 0.00 H ATOM 1235 N VAL C 134 16.431 33.780 -9.192 1.00 79.15 N ATOM 1236 CA VAL C 134 15.528 33.477 -10.291 1.00 77.93 C ATOM 1237 C VAL C 134 14.093 33.844 -9.925 1.00 68.26 C ATOM 1238 O VAL C 134 13.383 34.452 -10.721 1.00 83.53 O ATOM 1239 CB VAL C 134 15.615 31.985 -10.673 1.00 73.19 C ATOM 1240 CG1 VAL C 134 14.504 31.606 -11.627 1.00 77.42 C ATOM 1241 CG2 VAL C 134 16.989 31.677 -11.246 1.00 67.39 C ATOM 1242 H VAL C 134 17.009 33.013 -8.793 1.00 0.00 H ATOM 1243 N ILE C 135 13.676 33.491 -8.715 1.00 55.75 N ATOM 1244 CA ILE C 135 12.337 33.834 -8.249 1.00 58.63 C ATOM 1245 C ILE C 135 12.134 35.352 -8.206 1.00 73.26 C ATOM 1246 O ILE C 135 11.036 35.845 -8.460 1.00 77.86 O ATOM 1247 CB ILE C 135 12.050 33.260 -6.843 1.00 51.82 C ATOM 1248 CG1 ILE C 135 12.194 31.736 -6.827 1.00 49.97 C ATOM 1249 CG2 ILE C 135 10.668 33.654 -6.390 1.00 54.39 C ATOM 1250 CD1 ILE C 135 11.934 31.124 -5.461 1.00 53.45 C ATOM 1251 H ILE C 135 14.315 32.961 -8.089 1.00 0.00 H ATOM 1252 N TYR C 136 13.206 36.085 -7.907 1.00 76.69 N ATOM 1253 CA TYR C 136 13.136 37.531 -7.674 1.00 72.72 C ATOM 1254 C TYR C 136 13.752 38.426 -8.744 1.00 86.57 C ATOM 1255 O TYR C 136 14.005 39.606 -8.467 1.00 94.38 O ATOM 1256 CB TYR C 136 13.819 37.898 -6.355 1.00 61.95 C ATOM 1257 CG TYR C 136 12.950 37.787 -5.139 1.00 57.27 C ATOM 1258 CD1 TYR C 136 12.767 36.574 -4.492 1.00 52.24 C ATOM 1259 CD2 TYR C 136 12.300 38.901 -4.640 1.00 61.82 C ATOM 1260 CE1 TYR C 136 11.966 36.483 -3.374 1.00 50.94 C ATOM 1261 CE2 TYR C 136 11.501 38.816 -3.538 1.00 55.95 C ATOM 1262 CZ TYR C 136 11.334 37.608 -2.903 1.00 50.87 C ATOM 1263 OH TYR C 136 10.531 37.525 -1.790 1.00 49.90 O ATOM 1264 HH TYR C 136 9.611 37.802 -2.027 1.00 0.00 H ATOM 1265 H TYR C 136 14.130 35.612 -7.836 1.00 0.00 H ATOM 1266 N ASP C 137 14.011 37.885 -9.934 1.00 83.79 N ATOM 1267 CA ASP C 137 14.550 38.684 -11.041 1.00 85.37 C ATOM 1268 C ASP C 137 15.747 39.543 -10.596 1.00 86.06 C ATOM 1269 O ASP C 137 15.756 40.762 -10.772 1.00 86.59 O ATOM 1270 CB ASP C 137 13.438 39.566 -11.640 1.00 85.08 C ATOM 1271 CG ASP C 137 13.886 40.334 -12.883 1.00 90.07 C ATOM 1272 OD1 ASP C 137 14.624 39.761 -13.715 1.00 92.43 O ATOM 1273 OD2 ASP C 137 13.511 41.521 -13.015 1.00 87.74 O ATOM 1274 H ASP C 137 13.827 36.872 -10.082 1.00 0.00 H ATOM 1275 N GLN C 138 16.742 38.900 -9.994 1.00 82.75 N ATOM 1276 CA GLN C 138 17.930 39.596 -9.514 1.00 79.52 C ATOM 1277 C GLN C 138 19.139 38.688 -9.695 1.00 70.29 C ATOM 1278 O GLN C 138 19.013 37.468 -9.760 1.00 69.37 O ATOM 1279 CB GLN C 138 17.765 40.008 -8.037 1.00 81.76 C ATOM 1280 CG GLN C 138 16.853 41.219 -7.832 1.00 90.05 C ATOM 1281 CD GLN C 138 16.662 41.602 -6.371 1.00 96.90 C ATOM 1282 OE1 GLN C 138 17.246 42.574 -5.886 1.00100.84 O ATOM 1283 NE2 GLN C 138 15.840 40.829 -5.660 1.00 94.14 N ATOM 1284 HE22 GLN C 138 15.368 40.019 -6.111 1.00 0.00 H ATOM 1285 HE21 GLN C 138 15.671 41.036 -4.655 1.00 0.00 H ATOM 1286 H GLN C 138 16.671 37.871 -9.861 1.00 0.00 H ATOM 1287 N SER C 139 20.305 39.302 -9.824 1.00 66.74 N ATOM 1288 CA SER C 139 21.559 38.599 -9.676 1.00 74.70 C ATOM 1289 C SER C 139 21.689 38.243 -8.199 1.00 77.13 C ATOM 1290 O SER C 139 21.228 39.004 -7.339 1.00 74.90 O ATOM 1291 CB SER C 139 22.727 39.470 -10.149 1.00 78.82 C ATOM 1292 OG SER C 139 23.951 38.758 -10.093 1.00 82.73 O ATOM 1293 HG SER C 139 24.687 39.343 -10.403 1.00 0.00 H ATOM 1294 H SER C 139 20.319 40.320 -10.038 1.00 0.00 H ATOM 1295 N PRO C 140 22.285 37.077 -7.898 1.00 70.37 N ATOM 1296 CA PRO C 140 22.517 36.659 -6.510 1.00 68.81 C ATOM 1297 C PRO C 140 23.087 37.805 -5.682 1.00 73.55 C ATOM 1298 O PRO C 140 22.682 38.021 -4.533 1.00 65.81 O ATOM 1299 CB PRO C 140 23.524 35.515 -6.654 1.00 58.07 C ATOM 1300 CG PRO C 140 23.219 34.943 -7.982 1.00 62.20 C ATOM 1301 CD PRO C 140 22.761 36.073 -8.862 1.00 63.78 C ATOM 1302 N SER C 141 24.002 38.545 -6.303 1.00 78.98 N ATOM 1303 CA SER C 141 24.638 39.707 -5.705 1.00 79.11 C ATOM 1304 C SER C 141 23.645 40.780 -5.278 1.00 87.25 C ATOM 1305 O SER C 141 23.743 41.313 -4.174 1.00 97.41 O ATOM 1306 CB SER C 141 25.644 40.303 -6.684 1.00 82.67 C ATOM 1307 OG SER C 141 26.215 41.483 -6.151 1.00 90.47 O ATOM 1308 HG SER C 141 26.864 41.856 -6.799 1.00 0.00 H ATOM 1309 H SER C 141 24.277 38.277 -7.269 1.00 0.00 H ATOM 1310 N VAL C 142 22.683 41.103 -6.135 1.00 83.75 N ATOM 1311 CA VAL C 142 21.752 42.170 -5.780 1.00 80.64 C ATOM 1312 C VAL C 142 20.590 41.651 -4.900 1.00 76.93 C ATOM 1313 O VAL C 142 20.124 42.367 -4.015 1.00 73.02 O ATOM 1314 CB VAL C 142 21.248 42.935 -7.067 1.00 89.29 C ATOM 1315 CG1 VAL C 142 20.975 42.005 -8.252 1.00 92.78 C ATOM 1316 CG2 VAL C 142 20.049 43.838 -6.764 1.00 80.54 C ATOM 1317 H VAL C 142 22.595 40.604 -7.043 1.00 0.00 H ATOM 1318 N LEU C 143 20.157 40.407 -5.099 1.00 77.11 N ATOM 1319 CA LEU C 143 19.183 39.805 -4.178 1.00 71.93 C ATOM 1320 C LEU C 143 19.750 39.792 -2.771 1.00 62.80 C ATOM 1321 O LEU C 143 19.054 40.108 -1.808 1.00 61.36 O ATOM 1322 CB LEU C 143 18.810 38.383 -4.591 1.00 66.22 C ATOM 1323 CG LEU C 143 18.005 37.588 -3.556 1.00 61.66 C ATOM 1324 CD1 LEU C 143 16.738 38.309 -3.127 1.00 65.73 C ATOM 1325 CD2 LEU C 143 17.677 36.221 -4.093 1.00 57.15 C ATOM 1326 H LEU C 143 20.510 39.859 -5.910 1.00 0.00 H ATOM 1327 N THR C 144 21.025 39.434 -2.666 1.00 56.27 N ATOM 1328 CA THR C 144 21.716 39.463 -1.390 1.00 50.72 C ATOM 1329 C THR C 144 21.621 40.858 -0.814 1.00 49.77 C ATOM 1330 O THR C 144 21.206 41.035 0.335 1.00 45.67 O ATOM 1331 CB THR C 144 23.182 39.058 -1.530 1.00 47.16 C ATOM 1332 OG1 THR C 144 23.241 37.699 -1.969 1.00 44.09 O ATOM 1333 CG2 THR C 144 23.902 39.183 -0.189 1.00 45.54 C ATOM 1334 HG1 THR C 144 22.783 37.616 -2.843 1.00 0.00 H ATOM 1335 H THR C 144 21.539 39.126 -3.516 1.00 0.00 H ATOM 1336 N GLU C 145 21.987 41.843 -1.634 1.00 61.32 N ATOM 1337 CA GLU C 145 21.918 43.257 -1.256 1.00 61.38 C ATOM 1338 C GLU C 145 20.517 43.661 -0.777 1.00 57.18 C ATOM 1339 O GLU C 145 20.367 44.323 0.249 1.00 60.22 O ATOM 1340 CB GLU C 145 22.349 44.142 -2.432 1.00 70.80 C ATOM 1341 CG GLU C 145 23.237 45.311 -2.031 1.00 82.70 C ATOM 1342 CD GLU C 145 24.443 44.881 -1.194 1.00 88.91 C ATOM 1343 OE1 GLU C 145 24.997 43.786 -1.443 1.00 81.51 O ATOM 1344 OE2 GLU C 145 24.833 45.636 -0.274 1.00 97.69 O ATOM 1345 H GLU C 145 22.336 41.598 -2.582 1.00 0.00 H ATOM 1346 N GLN C 146 19.494 43.257 -1.519 1.00 56.49 N ATOM 1347 CA GLN C 146 18.117 43.524 -1.112 1.00 61.33 C ATOM 1348 C GLN C 146 17.805 42.881 0.243 1.00 62.16 C ATOM 1349 O GLN C 146 17.280 43.543 1.159 1.00 57.60 O ATOM 1350 CB GLN C 146 17.145 43.022 -2.184 1.00 66.82 C ATOM 1351 CG GLN C 146 15.678 43.013 -1.778 1.00 73.48 C ATOM 1352 CD GLN C 146 14.772 42.617 -2.930 1.00 84.04 C ATOM 1353 OE1 GLN C 146 15.101 42.835 -4.097 1.00 87.39 O ATOM 1354 NE2 GLN C 146 13.640 42.004 -2.609 1.00 88.48 N ATOM 1355 HE22 GLN C 146 13.402 41.841 -1.610 1.00 0.00 H ATOM 1356 HE21 GLN C 146 12.990 41.687 -3.357 1.00 0.00 H ATOM 1357 H GLN C 146 19.675 42.742 -2.404 1.00 0.00 H ATOM 1358 N LEU C 147 18.146 41.595 0.367 1.00 49.37 N ATOM 1359 CA LEU C 147 17.904 40.845 1.593 1.00 45.63 C ATOM 1360 C LEU C 147 18.681 41.431 2.767 1.00 46.22 C ATOM 1361 O LEU C 147 18.196 41.424 3.893 1.00 56.92 O ATOM 1362 CB LEU C 147 18.268 39.373 1.394 1.00 45.38 C ATOM 1363 CG LEU C 147 17.336 38.553 0.495 1.00 47.24 C ATOM 1364 CD1 LEU C 147 17.493 37.075 0.755 1.00 46.35 C ATOM 1365 CD2 LEU C 147 15.890 38.965 0.693 1.00 48.48 C ATOM 1366 H LEU C 147 18.598 41.114 -0.437 1.00 0.00 H ATOM 1367 N ILE C 148 19.879 41.954 2.511 1.00 48.04 N ATOM 1368 CA ILE C 148 20.648 42.589 3.581 1.00 53.73 C ATOM 1369 C ILE C 148 20.021 43.911 4.045 1.00 55.93 C ATOM 1370 O ILE C 148 20.100 44.252 5.227 1.00 60.00 O ATOM 1371 CB ILE C 148 22.111 42.847 3.174 1.00 59.56 C ATOM 1372 CG1 ILE C 148 22.819 41.535 2.824 1.00 59.94 C ATOM 1373 CG2 ILE C 148 22.866 43.494 4.312 1.00 61.40 C ATOM 1374 CD1 ILE C 148 24.250 41.716 2.331 1.00 58.92 C ATOM 1375 H ILE C 148 20.269 41.911 1.548 1.00 0.00 H ATOM 1376 N SER C 149 19.372 44.644 3.145 1.00 56.17 N ATOM 1377 CA SER C 149 18.735 45.900 3.559 1.00 65.60 C ATOM 1378 C SER C 149 17.464 45.698 4.396 1.00 67.82 C ATOM 1379 O SER C 149 17.094 46.574 5.180 1.00 70.22 O ATOM 1380 CB SER C 149 18.416 46.770 2.346 1.00 71.09 C ATOM 1381 OG SER C 149 18.014 45.983 1.244 1.00 87.47 O ATOM 1382 HG SER C 149 18.743 45.359 1.002 1.00 0.00 H ATOM 1383 H SER C 149 19.316 44.330 2.155 1.00 0.00 H ATOM 1384 N TRP C 150 16.794 44.558 4.234 1.00 63.81 N ATOM 1385 CA TRP C 150 15.656 44.227 5.095 1.00 59.63 C ATOM 1386 C TRP C 150 16.127 43.755 6.465 1.00 63.44 C ATOM 1387 O TRP C 150 15.333 43.639 7.398 1.00 72.05 O ATOM 1388 CB TRP C 150 14.779 43.140 4.476 1.00 55.34 C ATOM 1389 CG TRP C 150 14.185 43.487 3.169 1.00 58.48 C ATOM 1390 CD1 TRP C 150 14.143 44.715 2.583 1.00 66.14 C ATOM 1391 CD2 TRP C 150 13.523 42.585 2.271 1.00 65.40 C ATOM 1392 NE1 TRP C 150 13.499 44.637 1.367 1.00 66.62 N ATOM 1393 CE2 TRP C 150 13.111 43.348 1.156 1.00 68.84 C ATOM 1394 CE3 TRP C 150 13.249 41.217 2.302 1.00 60.41 C ATOM 1395 CZ2 TRP C 150 12.426 42.772 0.084 1.00 69.72 C ATOM 1396 CZ3 TRP C 150 12.577 40.652 1.234 1.00 56.19 C ATOM 1397 CH2 TRP C 150 12.173 41.428 0.138 1.00 65.86 C ATOM 1398 HE1 TRP C 150 13.336 45.432 0.717 1.00 0.00 H ATOM 1399 H TRP C 150 17.083 43.895 3.487 1.00 0.00 H ATOM 1400 N GLY C 151 17.417 43.462 6.584 1.00 57.46 N ATOM 1401 CA GLY C 151 17.947 42.939 7.829 1.00 57.47 C ATOM 1402 C GLY C 151 17.659 41.456 7.897 1.00 57.71 C ATOM 1403 O GLY C 151 17.806 40.819 8.943 1.00 62.56 O ATOM 1404 H GLY C 151 18.054 43.609 5.775 1.00 0.00 H ATOM 1405 N VAL C 152 17.249 40.912 6.757 1.00 52.47 N ATOM 1406 CA VAL C 152 16.886 39.512 6.646 1.00 50.38 C ATOM 1407 C VAL C 152 18.145 38.634 6.557 1.00 55.44 C ATOM 1408 O VAL C 152 18.207 37.573 7.183 1.00 50.18 O ATOM 1409 CB VAL C 152 15.970 39.294 5.429 1.00 52.98 C ATOM 1410 CG1 VAL C 152 15.928 37.840 5.034 1.00 54.19 C ATOM 1411 CG2 VAL C 152 14.569 39.825 5.726 1.00 55.51 C ATOM 1412 H VAL C 152 17.186 41.513 5.911 1.00 0.00 H ATOM 1413 N LEU C 153 19.135 39.089 5.782 1.00 67.77 N ATOM 1414 CA LEU C 153 20.498 38.531 5.794 1.00 66.51 C ATOM 1415 C LEU C 153 21.462 39.502 6.475 1.00 72.93 C ATOM 1416 O LEU C 153 21.270 40.718 6.411 1.00 79.52 O ATOM 1417 CB LEU C 153 21.005 38.235 4.373 1.00 54.07 C ATOM 1418 CG LEU C 153 20.564 36.995 3.591 1.00 52.83 C ATOM 1419 CD1 LEU C 153 21.110 37.063 2.163 1.00 58.39 C ATOM 1420 CD2 LEU C 153 20.991 35.699 4.287 1.00 42.82 C ATOM 1421 H LEU C 153 18.932 39.879 5.137 1.00 0.00 H ATOM 1422 N ASP C 154 22.498 38.966 7.116 1.00 77.42 N ATOM 1423 CA ASP C 154 23.517 39.793 7.759 1.00 85.02 C ATOM 1424 C ASP C 154 24.591 40.199 6.756 1.00 86.01 C ATOM 1425 O ASP C 154 24.796 39.511 5.761 1.00 80.49 O ATOM 1426 CB ASP C 154 24.144 39.055 8.942 1.00 85.14 C ATOM 1427 H ASP C 154 22.585 37.931 7.160 1.00 0.00 H ATOM 1428 N ALA C 155 25.268 41.312 7.037 1.00 90.54 N ATOM 1429 CA ALA C 155 26.333 41.864 6.187 1.00 90.69 C ATOM 1430 C ALA C 155 27.341 40.816 5.707 1.00 94.05 C ATOM 1431 O ALA C 155 27.760 40.829 4.546 1.00 95.52 O ATOM 1432 CB ALA C 155 27.063 42.973 6.934 1.00 85.60 C ATOM 1433 H ALA C 155 25.028 41.821 7.911 1.00 0.00 H ATOM 1434 N ASP C 156 27.708 39.905 6.604 1.00 90.10 N ATOM 1435 CA ASP C 156 28.648 38.831 6.306 1.00 87.32 C ATOM 1436 C ASP C 156 28.250 37.985 5.092 1.00 86.02 C ATOM 1437 O ASP C 156 29.062 37.220 4.580 1.00 93.55 O ATOM 1438 CB ASP C 156 28.808 37.939 7.529 1.00 87.76 C ATOM 1439 H ASP C 156 27.306 39.961 7.562 1.00 0.00 H ATOM 1440 N ALA C 157 27.012 38.134 4.628 1.00 82.41 N ATOM 1441 CA ALA C 157 26.483 37.330 3.524 1.00 78.54 C ATOM 1442 C ALA C 157 27.195 37.565 2.194 1.00 80.48 C ATOM 1443 O ALA C 157 26.969 36.829 1.234 1.00 75.95 O ATOM 1444 CB ALA C 157 24.992 37.591 3.357 1.00 81.49 C ATOM 1445 H ALA C 157 26.396 38.849 5.066 1.00 0.00 H ATOM 1446 N ARG C 158 28.042 38.588 2.125 1.00 87.75 N ATOM 1447 CA ARG C 158 28.872 38.792 0.938 1.00 87.73 C ATOM 1448 C ARG C 158 30.221 38.083 1.089 1.00 96.67 C ATOM 1449 O ARG C 158 30.897 37.775 0.103 1.00102.80 O ATOM 1450 CB ARG C 158 29.092 40.281 0.668 1.00 78.91 C ATOM 1451 CG ARG C 158 27.827 41.114 0.591 1.00 70.77 C ATOM 1452 CD ARG C 158 28.189 42.582 0.474 1.00 69.86 C ATOM 1453 NE ARG C 158 27.045 43.463 0.679 1.00 74.51 N ATOM 1454 CZ ARG C 158 26.975 44.376 1.643 1.00 77.50 C ATOM 1455 NH1 ARG C 158 27.982 44.526 2.495 1.00 81.81 N ATOM 1456 NH2 ARG C 158 25.898 45.140 1.756 1.00 68.81 N ATOM 1457 HE ARG C 158 26.236 43.372 0.032 1.00 0.00 H ATOM 1458 HH12 ARG C 158 27.924 45.241 3.248 1.00 0.00 H ATOM 1459 HH11 ARG C 158 28.829 43.928 2.410 1.00 0.00 H ATOM 1460 HH22 ARG C 158 25.844 45.854 2.510 1.00 0.00 H ATOM 1461 HH21 ARG C 158 25.107 45.026 1.090 1.00 0.00 H ATOM 1462 H ARG C 158 28.115 39.250 2.924 1.00 0.00 H TER 1463 ARG C 158 HETATM 1464 ZN ZN A 1 -0.359 45.365 0.393 1.00 71.41 ZN HETATM 1465 ZN ZN A 2 6.453 41.615 15.044 1.00116.59 ZN HETATM 1466 O HOH 3 5.738 18.899 8.065 1.00102.00 O HETATM 1467 O HOH 4 9.337 34.980 8.582 1.00 91.30 O HETATM 1468 O HOH 5 9.881 49.398 -1.616 1.00117.33 O HETATM 1469 O HOH 6 16.223 25.232 -5.747 1.00 80.31 O HETATM 1470 O HOH 7 10.223 30.363 13.154 1.00 86.33 O HETATM 1471 O HOH 8 24.323 28.828 4.287 1.00 64.76 O HETATM 1472 O HOH 9 6.350 19.318 3.959 1.00 80.62 O HETATM 1473 O HOH 10 12.842 27.363 11.801 1.00 72.59 O HETATM 1474 O HOH 11 12.118 34.848 -13.218 1.00101.56 O HETATM 1475 O HOH 12 19.161 26.622 10.248 1.00 66.96 O HETATM 1476 O HOH 13 21.709 16.524 9.700 1.00 76.75 O HETATM 1477 O HOH 14 19.939 21.769 -3.239 1.00 56.42 O HETATM 1478 O HOH 15 24.265 24.513 -1.890 1.00 60.64 O HETATM 1479 O HOH 16 20.906 23.710 9.794 1.00 75.45 O HETATM 1480 O HOH 17 9.316 34.997 -12.174 1.00 93.92 O HETATM 1481 O HOH 18 27.276 37.829 11.335 1.00 99.75 O HETATM 1482 O HOH 19 28.159 -3.613 9.028 1.00 77.49 O HETATM 1483 O HOH 20 34.133 0.000 14.780 1.00106.88 O HETATM 1484 O HOH 21 37.706 -0.999 6.312 1.00 80.69 O HETATM 1485 O HOH 22 39.554 2.853 -1.257 1.00107.16 O HETATM 1486 O HOH 23 18.589 11.119 4.730 1.00 59.71 O HETATM 1487 O HOH 24 35.772 14.277 8.465 1.00 76.67 O HETATM 1488 O HOH 25 30.698 4.205 20.317 1.00 85.56 O HETATM 1489 O HOH 26 31.218 -1.571 -6.744 1.00 76.15 O HETATM 1490 O HOH 27 22.068 0.423 9.685 1.00 65.22 O HETATM 1491 O HOH 28 25.766 15.989 10.749 1.00 72.67 O HETATM 1492 O HOH 29 22.031 2.966 9.446 1.00 58.07 O HETATM 1493 O HOH 30 25.628 21.973 -2.279 1.00 66.51 O HETATM 1494 O HOH 31 39.319 -3.107 7.702 1.00 97.57 O HETATM 1495 P1 C A 2 17.698 15.692 1.667 1.00 0.26 P HETATM 1496 O2P C A 2 17.880 14.457 0.862 1.00 -0.62 O HETATM 1497 O1P C A 2 18.285 16.827 0.826 1.00 -0.62 O HETATM 1498 O5' C A 2 18.514 15.684 3.058 1.00 -0.25 O HETATM 1499 C5' C A 2 18.356 14.476 3.912 1.00 0.11 C HETATM 1500 C4' C A 2 18.735 14.867 5.411 1.00 0.12 C HETATM 1501 O4' C A 2 20.356 14.879 5.573 1.00 -0.33 O HETATM 1502 C1' C A 2 20.648 15.979 6.191 1.00 0.22 C HETATM 1503 C2' C A 2 19.345 16.441 6.808 1.00 0.15 C HETATM 1504 C3' C A 2 18.308 15.998 5.728 1.00 0.15 C HETATM 1505 O3' C A 2 16.916 15.773 6.404 1.00 -0.25 O HETATM 1506 P11 C A 2 16.024 17.097 6.666 1.00 0.26 P HETATM 1507 O21 C A 2 14.737 16.935 7.402 1.00 -0.62 O HETATM 1508 O11 C A 2 16.908 18.016 7.487 1.00 -0.62 O HETATM 1509 O5A C A 2 15.833 17.665 5.176 1.00 -0.25 O HETATM 1510 C5A C A 2 14.637 17.143 4.574 1.00 0.11 C HETATM 1511 C4A C A 2 14.562 17.504 3.265 1.00 0.12 C HETATM 1512 O4A C A 2 14.086 18.922 3.065 1.00 -0.33 O HETATM 1513 C1A C A 2 14.908 19.525 2.262 1.00 0.22 C HETATM 1514 C2A C A 2 15.871 18.311 1.642 1.00 0.15 C HETATM 1515 C3A C A 2 16.000 17.476 2.516 1.00 0.15 C HETATM 1516 O3A C A 2 16.125 16.079 1.929 1.00 -0.25 O HETATM 1517 H16 C A 2 16.841 17.708 3.186 1.00 0.07 H HETATM 1518 O2A C A 2 15.126 17.716 0.476 1.00 -0.38 O HETATM 1519 H18 C A 2 15.614 16.975 0.135 1.00 0.21 H HETATM 1520 H17 C A 2 16.850 18.698 1.324 1.00 0.07 H HETATM 1521 N91 C A 2 15.640 20.464 3.038 1.00 -0.10 N HETATM 1522 C81 C A 2 15.955 20.598 4.353 1.00 0.19 C HETATM 1523 N71 C A 2 16.681 21.726 4.465 1.00 -0.19 N HETATM 1524 C51 C A 2 16.804 22.286 3.233 1.00 0.26 C HETATM 1525 C61 C A 2 17.504 23.553 2.796 1.00 0.26 C HETATM 1526 O61 C A 2 18.073 24.243 3.587 1.00 -0.36 O HETATM 1527 N11 C A 2 17.474 23.903 1.437 1.00 -0.25 N HETATM 1528 C21 C A 2 16.816 23.083 0.514 1.00 0.20 C HETATM 1529 N21 C A 2 16.811 23.473 -0.854 1.00 -0.33 N HETATM 1530 H22 C A 2 16.334 22.888 -1.555 1.00 0.18 H HETATM 1531 H23 C A 2 17.284 24.341 -1.144 1.00 0.18 H HETATM 1532 N31 C A 2 16.137 21.872 0.925 1.00 -0.19 N HETATM 1533 C41 C A 2 16.156 21.501 2.336 1.00 0.33 C HETATM 1534 H24 C A 2 15.650 21.284 0.234 1.00 0.25 H HETATM 1535 H21 C A 2 17.924 24.741 1.128 1.00 0.18 H HETATM 1536 H20 C A 2 15.674 19.923 5.160 1.00 0.18 H HETATM 1537 H19 C A 2 14.374 20.043 1.451 1.00 0.10 H HETATM 1538 H15 C A 2 13.871 16.809 2.765 1.00 0.07 H HETATM 1539 H13 C A 2 13.761 17.539 5.109 1.00 0.06 H HETATM 1540 H14 C A 2 14.646 16.045 4.646 1.00 0.06 H HETATM 1541 H4 C A 2 18.246 16.698 4.881 1.00 0.07 H HETATM 1542 O2' C A 2 19.140 15.716 7.964 1.00 -0.38 O HETATM 1543 H6 C A 2 19.771 15.985 8.621 1.00 0.21 H HETATM 1544 H5 C A 2 19.321 17.523 7.002 1.00 0.07 H HETATM 1545 N9 C A 2 21.166 16.943 5.213 1.00 -0.10 N HETATM 1546 C8 C A 2 21.156 17.231 3.904 1.00 0.19 C HETATM 1547 N7 C A 2 21.937 18.333 3.688 1.00 -0.19 N HETATM 1548 C5 C A 2 22.432 18.724 4.880 1.00 0.26 C HETATM 1549 C6 C A 2 23.371 19.874 5.259 1.00 0.26 C HETATM 1550 O6 C A 2 23.819 20.661 4.405 1.00 -0.36 O HETATM 1551 N1 C A 2 23.728 20.031 6.599 1.00 -0.25 N HETATM 1552 C2 C A 2 23.232 19.138 7.586 1.00 0.20 C HETATM 1553 N2 C A 2 23.622 19.324 8.957 1.00 -0.33 N HETATM 1554 H10 C A 2 23.270 18.684 9.684 1.00 0.18 H HETATM 1555 H11 C A 2 24.253 20.097 9.213 1.00 0.18 H HETATM 1556 N3 C A 2 22.344 18.050 7.239 1.00 -0.19 N HETATM 1557 C4 C A 2 21.958 17.874 5.829 1.00 0.33 C HETATM 1558 H12 C A 2 21.989 17.411 7.964 1.00 0.25 H HETATM 1559 H9 C A 2 24.337 20.777 6.866 1.00 0.18 H HETATM 1560 H8 C A 2 20.615 16.678 3.138 1.00 0.18 H HETATM 1561 H7 C A 2 21.401 15.805 6.973 1.00 0.10 H HETATM 1562 H3 C A 2 18.302 14.118 6.091 1.00 0.07 H HETATM 1563 H1 C A 2 19.025 13.679 3.555 1.00 0.06 H HETATM 1564 H2 C A 2 17.314 14.126 3.872 1.00 0.06 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 732 733 738 739 740 CONECT 739 732 CONECT 740 732 CONECT 849 847 848 1465 CONECT 1465 849 CONECT 1495 1496 1497 1498 1516 CONECT 1496 1495 CONECT 1497 1495 CONECT 1498 1495 1499 CONECT 1499 1498 1500 1563 1564 CONECT 1500 1499 1501 1504 1562 CONECT 1501 1500 1502 CONECT 1502 1501 1503 1545 1561 CONECT 1503 1502 1504 1542 1544 CONECT 1504 1500 1503 1505 1541 CONECT 1505 1504 1506 CONECT 1506 1505 1507 1508 1509 CONECT 1507 1506 CONECT 1508 1506 CONECT 1509 1506 1510 CONECT 1510 1509 1511 1539 1540 CONECT 1511 1510 1512 1515 1538 CONECT 1512 1511 1513 CONECT 1513 1512 1514 1521 1537 CONECT 1514 1513 1515 1518 1520 CONECT 1515 1511 1514 1516 1517 CONECT 1516 1495 1515 CONECT 1517 1515 CONECT 1518 1514 1519 CONECT 1519 1518 CONECT 1520 1514 CONECT 1521 1513 1522 1533 CONECT 1522 1521 1523 1536 CONECT 1523 1522 1524 CONECT 1524 1523 1525 1533 CONECT 1525 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 1528 1535 CONECT 1528 1527 1529 1532 CONECT 1529 1528 1530 1531 CONECT 1530 1529 CONECT 1531 1529 CONECT 1532 1528 1533 1534 CONECT 1533 1521 1524 1532 CONECT 1534 1532 CONECT 1535 1527 CONECT 1536 1522 CONECT 1537 1513 CONECT 1538 1511 CONECT 1539 1510 CONECT 1540 1510 CONECT 1541 1504 CONECT 1542 1503 1543 CONECT 1543 1542 CONECT 1544 1503 CONECT 1545 1502 1546 1557 CONECT 1546 1545 1547 1560 CONECT 1547 1546 1548 CONECT 1548 1547 1549 1557 CONECT 1549 1548 1550 1551 CONECT 1550 1549 CONECT 1551 1549 1552 1559 CONECT 1552 1551 1553 1556 CONECT 1553 1552 1554 1555 CONECT 1554 1553 CONECT 1555 1553 CONECT 1556 1552 1557 1558 CONECT 1557 1545 1548 1556 CONECT 1558 1556 CONECT 1559 1551 CONECT 1560 1546 CONECT 1561 1502 CONECT 1562 1500 CONECT 1563 1499 CONECT 1564 1499 MASTER 0 0 0 0 0 0 0 0 1562 2 79 12 END
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Related entries of code: 5tzg
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Complexes with the same small molecule ligand
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4f9g
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PDBbind
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RCSB PDB
PDBbind
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5tzd
RCSB PDB
PDBbind
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Entry Information
PDB ID
5tzg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DNA-binding protein
Ligand Name
C2E
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=1.6uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Nucleic Acids Res. Vol. 45: pp. 6923-6933
Ligand Properties
Formula
C
2
0
H
2
8
N
1
0
O
1
4
P
2
Molecular Weight
694.442
Exact Mass
694.126
No. of atoms
74
No. of bonds
80
Polar Surface Area
385.62
LOGP Value
-4.36 (
Computed with XLOGP3
)
-3.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 7
Canonical SMILES
O[C@@H]1[C@@H]2OP(O)(O)OC[C@H]3O[C@H]([C@@H]([C@@H]3OP(OC[C@H]2O[C@H]1n1cnc2c1[nH]c(N)[nH+]c2=O)(O)O)O)n1cnc2c1[nH]c(N)[nH+]c2=O
InChI String
InChI=1S/C20H28N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32,35-38,45-46H,1-2H2,(H3,21,25,27,33)(H3,22,26,28,34)/p+2/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
F2RCL8
Entrez Gene ID
NCBI Entrez Gene ID:
61485974
ASD
Information of known allosteric effects of PDB entries
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