Browse entries in the PDBbind-CN Database
HEADER 6A6W_COMPLEX COMPND 6A6W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 LYS SER ARG SER LEU PRO ALA GLU ARG ASN PRO LEU TYR SEQRES 2 A 135 LYS ASP ASP THR LEU ASP HIS THR PRO LEU ILE PRO LYS SEQRES 3 A 135 CYS ARG ALA GLN VAL ILE GLU PHE PRO ASP GLY PRO ALA SEQRES 4 A 135 THR PHE VAL ARG LEU LYS CYS THR ASN PRO GLU SER LYS SEQRES 5 A 135 VAL PRO HIS PHE LEU MET ARG MET ALA LYS ASP SER SER SEQRES 6 A 135 ILE SER ALA THR SER MET PHE ARG SER ALA PHE PRO LYS SEQRES 7 A 135 ALA THR GLN GLU GLU GLU ASP LEU GLU MET ARG TRP ILE SEQRES 8 A 135 ARG ASP ASN LEU ASN PRO ILE GLU ASP LYS ARG VAL ALA SEQRES 9 A 135 GLY LEU TRP VAL PRO PRO ALA ASP ALA LEU ALA LEU ALA SEQRES 10 A 135 LYS ASP TYR SER MET THR PRO PHE ILE ASN ALA LEU LEU SEQRES 11 A 135 GLU ALA SER SER THR HET GLY A 151 251 ATOM 1 N LYS A 6 -76.026 -1.018 -8.161 1.00106.74 N ATOM 2 CA LYS A 6 -74.931 -1.968 -8.316 1.00122.05 C ATOM 3 C LYS A 6 -74.202 -2.092 -6.973 1.00116.05 C ATOM 4 O LYS A 6 -74.819 -1.954 -5.918 1.00112.56 O ATOM 5 CB LYS A 6 -73.983 -1.511 -9.433 1.00112.51 C ATOM 6 CG LYS A 6 -73.000 -2.569 -9.919 1.00110.16 C ATOM 7 CD LYS A 6 -72.057 -2.015 -10.958 1.00 80.77 C ATOM 8 CE LYS A 6 -71.554 -3.111 -11.880 1.00 93.82 C ATOM 9 NZ LYS A 6 -72.378 -3.254 -13.108 1.00 93.59 N ATOM 10 HZ1 LYS A 6 -73.356 -3.486 -12.842 1.00 0.00 H ATOM 11 HZ2 LYS A 6 -72.364 -2.360 -13.639 1.00 0.00 H ATOM 12 HZ3 LYS A 6 -71.988 -4.016 -13.699 1.00 0.00 H ATOM 13 HN3 LYS A 6 -75.644 -0.093 -7.877 1.00 0.00 H ATOM 14 HN2 LYS A 6 -76.682 -1.363 -7.431 1.00 0.00 H ATOM 15 HN1 LYS A 6 -76.531 -0.923 -9.065 1.00 0.00 H ATOM 16 N SER A 7 -72.895 -2.359 -7.015 1.00121.51 N ATOM 17 CA SER A 7 -72.043 -2.344 -5.835 1.00109.72 C ATOM 18 C SER A 7 -71.899 -0.908 -5.350 1.00113.35 C ATOM 19 O SER A 7 -70.858 -0.271 -5.554 1.00 83.53 O ATOM 20 CB SER A 7 -70.678 -2.958 -6.157 1.00103.65 C ATOM 21 OG SER A 7 -70.813 -4.013 -7.096 1.00 90.77 O ATOM 22 HG SER A 7 -69.921 -4.396 -7.291 1.00 0.00 H ATOM 23 H SER A 7 -72.465 -2.588 -7.934 1.00 0.00 H ATOM 24 N ARG A 8 -72.945 -0.391 -4.712 1.00121.15 N ATOM 25 CA ARG A 8 -73.018 1.029 -4.420 1.00 99.64 C ATOM 26 C ARG A 8 -73.890 1.269 -3.199 1.00103.06 C ATOM 27 O ARG A 8 -74.942 0.646 -3.035 1.00124.61 O ATOM 28 CB ARG A 8 -73.576 1.802 -5.619 1.00 80.40 C ATOM 29 CG ARG A 8 -73.573 3.309 -5.457 1.00 68.95 C ATOM 30 CD ARG A 8 -73.987 4.003 -6.744 1.00 61.46 C ATOM 31 NE ARG A 8 -73.264 5.254 -6.936 1.00 65.35 N ATOM 32 CZ ARG A 8 -73.740 6.299 -7.606 1.00 84.82 C ATOM 33 NH1 ARG A 8 -74.947 6.247 -8.149 1.00 56.99 N ATOM 34 NH2 ARG A 8 -73.009 7.400 -7.730 1.00 59.56 N ATOM 35 HE ARG A 8 -72.313 5.334 -6.522 1.00 0.00 H ATOM 36 HH12 ARG A 8 -75.317 7.066 -8.673 1.00 0.00 H ATOM 37 HH11 ARG A 8 -75.524 5.388 -8.052 1.00 0.00 H ATOM 38 HH22 ARG A 8 -73.383 8.216 -8.255 1.00 0.00 H ATOM 39 HH21 ARG A 8 -72.062 7.446 -7.303 1.00 0.00 H ATOM 40 H ARG A 8 -73.724 -1.014 -4.417 1.00 0.00 H ATOM 41 N SER A 9 -73.427 2.171 -2.344 1.00 92.88 N ATOM 42 CA SER A 9 -74.244 2.729 -1.272 1.00 93.50 C ATOM 43 C SER A 9 -73.576 4.025 -0.848 1.00100.77 C ATOM 44 O SER A 9 -72.450 4.003 -0.340 1.00 95.21 O ATOM 45 CB SER A 9 -74.376 1.769 -0.094 1.00 96.56 C ATOM 46 OG SER A 9 -73.477 2.104 0.944 1.00105.96 O ATOM 47 HG SER A 9 -72.549 2.059 0.602 1.00 0.00 H ATOM 48 H SER A 9 -72.443 2.493 -2.442 1.00 0.00 H ATOM 49 N LEU A 10 -74.247 5.144 -1.068 1.00 64.73 N ATOM 50 CA LEU A 10 -73.642 6.433 -0.807 1.00 62.81 C ATOM 51 C LEU A 10 -73.656 6.758 0.684 1.00 66.08 C ATOM 52 O LEU A 10 -74.497 6.264 1.440 1.00 66.93 O ATOM 53 CB LEU A 10 -74.364 7.517 -1.599 1.00 59.78 C ATOM 54 CG LEU A 10 -74.138 7.440 -3.117 1.00 58.68 C ATOM 55 CD1 LEU A 10 -74.923 8.521 -3.849 1.00 65.27 C ATOM 56 CD2 LEU A 10 -72.656 7.530 -3.436 1.00 59.02 C ATOM 57 H LEU A 10 -75.220 5.097 -1.432 1.00 0.00 H ATOM 58 N PRO A 11 -72.704 7.574 1.133 1.00 67.53 N ATOM 59 CA PRO A 11 -72.688 8.000 2.538 1.00 64.24 C ATOM 60 C PRO A 11 -74.016 8.607 2.977 1.00 62.79 C ATOM 61 O PRO A 11 -74.785 9.131 2.167 1.00 73.78 O ATOM 62 CB PRO A 11 -71.556 9.037 2.579 1.00 63.24 C ATOM 63 CG PRO A 11 -70.639 8.618 1.486 1.00 70.29 C ATOM 64 CD PRO A 11 -71.484 7.981 0.419 1.00 62.76 C ATOM 65 N ALA A 12 -74.282 8.523 4.287 1.00 67.47 N ATOM 66 CA ALA A 12 -75.581 8.913 4.829 1.00 67.72 C ATOM 67 C ALA A 12 -75.694 10.417 5.022 1.00 67.29 C ATOM 68 O ALA A 12 -76.742 11.000 4.728 1.00104.59 O ATOM 69 CB ALA A 12 -75.834 8.200 6.156 1.00 67.16 C ATOM 70 H ALA A 12 -73.547 8.172 4.933 1.00 0.00 H ATOM 71 N GLU A 13 -74.649 11.056 5.535 1.00 62.53 N ATOM 72 CA GLU A 13 -74.683 12.489 5.788 1.00 66.41 C ATOM 73 C GLU A 13 -74.122 13.248 4.596 1.00 62.67 C ATOM 74 O GLU A 13 -73.005 12.975 4.145 1.00 81.38 O ATOM 75 CB GLU A 13 -73.904 12.841 7.053 1.00 67.90 C ATOM 76 CG GLU A 13 -74.778 12.881 8.292 1.00 96.90 C ATOM 77 CD GLU A 13 -74.066 13.457 9.494 1.00118.52 C ATOM 78 OE1 GLU A 13 -73.987 12.762 10.529 1.00118.88 O ATOM 79 OE2 GLU A 13 -73.585 14.606 9.402 1.00119.03 O ATOM 80 H GLU A 13 -73.787 10.520 5.761 1.00 0.00 H ATOM 81 N ARG A 14 -74.895 14.206 4.100 1.00 69.53 N ATOM 82 CA ARG A 14 -74.498 14.999 2.951 1.00 62.83 C ATOM 83 C ARG A 14 -74.373 16.465 3.335 1.00 60.26 C ATOM 84 O ARG A 14 -75.128 16.969 4.174 1.00 68.19 O ATOM 85 CB ARG A 14 -75.488 14.850 1.796 1.00 52.65 C ATOM 86 CG ARG A 14 -74.884 15.208 0.449 1.00 93.69 C ATOM 87 CD ARG A 14 -75.891 15.028 -0.654 1.00 62.07 C ATOM 88 NE ARG A 14 -77.144 15.679 -0.308 1.00 99.43 N ATOM 89 CZ ARG A 14 -78.335 15.224 -0.665 1.00 74.90 C ATOM 90 NH1 ARG A 14 -78.430 14.105 -1.369 1.00 95.80 N ATOM 91 NH2 ARG A 14 -79.427 15.884 -0.315 1.00 78.05 N ATOM 92 HE ARG A 14 -77.102 16.554 0.253 1.00 0.00 H ATOM 93 HH12 ARG A 14 -79.364 13.746 -1.651 1.00 0.00 H ATOM 94 HH11 ARG A 14 -77.570 13.586 -1.640 1.00 0.00 H ATOM 95 HH22 ARG A 14 -80.363 15.527 -0.595 1.00 0.00 H ATOM 96 HH21 ARG A 14 -79.350 16.760 0.240 1.00 0.00 H ATOM 97 H ARG A 14 -75.814 14.394 4.549 1.00 0.00 H ATOM 98 N ASN A 15 -73.409 17.130 2.711 1.00 65.88 N ATOM 99 CA ASN A 15 -73.159 18.549 2.884 1.00 60.67 C ATOM 100 C ASN A 15 -74.468 19.329 2.779 1.00 67.59 C ATOM 101 O ASN A 15 -75.114 19.302 1.719 1.00 75.02 O ATOM 102 CB ASN A 15 -72.171 19.009 1.816 1.00 59.28 C ATOM 103 CG ASN A 15 -71.630 20.399 2.064 1.00 52.65 C ATOM 104 OD1 ASN A 15 -72.238 21.209 2.761 1.00 52.36 O ATOM 105 ND2 ASN A 15 -70.471 20.683 1.484 1.00 58.10 N ATOM 106 HD22 ASN A 15 -69.991 19.967 0.902 1.00 0.00 H ATOM 107 HD21 ASN A 15 -70.042 21.622 1.611 1.00 0.00 H ATOM 108 H ASN A 15 -72.795 16.602 2.058 1.00 0.00 H ATOM 109 N PRO A 16 -74.894 20.018 3.841 1.00 65.96 N ATOM 110 CA PRO A 16 -76.131 20.813 3.762 1.00 55.14 C ATOM 111 C PRO A 16 -76.149 21.801 2.609 1.00 59.31 C ATOM 112 O PRO A 16 -77.230 22.254 2.217 1.00 78.19 O ATOM 113 CB PRO A 16 -76.171 21.532 5.117 1.00 55.79 C ATOM 114 CG PRO A 16 -75.373 20.663 6.027 1.00 60.40 C ATOM 115 CD PRO A 16 -74.291 20.056 5.183 1.00 70.04 C ATOM 116 N LEU A 17 -74.986 22.135 2.048 1.00 60.05 N ATOM 117 CA LEU A 17 -74.919 22.999 0.874 1.00 53.88 C ATOM 118 C LEU A 17 -75.738 22.455 -0.293 1.00 70.89 C ATOM 119 O LEU A 17 -76.181 23.223 -1.156 1.00 66.41 O ATOM 120 CB LEU A 17 -73.452 23.167 0.468 1.00 48.45 C ATOM 121 CG LEU A 17 -73.048 24.121 -0.648 1.00 59.64 C ATOM 122 CD1 LEU A 17 -73.499 25.523 -0.323 1.00 47.23 C ATOM 123 CD2 LEU A 17 -71.543 24.069 -0.816 1.00 67.34 C ATOM 124 H LEU A 17 -74.103 21.770 2.458 1.00 0.00 H ATOM 125 N TYR A 18 -75.958 21.140 -0.329 1.00 57.08 N ATOM 126 CA TYR A 18 -76.570 20.459 -1.463 1.00 50.89 C ATOM 127 C TYR A 18 -77.974 19.946 -1.146 1.00 54.07 C ATOM 128 O TYR A 18 -78.397 18.917 -1.677 1.00 79.84 O ATOM 129 CB TYR A 18 -75.674 19.308 -1.925 1.00 54.39 C ATOM 130 CG TYR A 18 -74.236 19.704 -2.194 1.00 52.45 C ATOM 131 CD1 TYR A 18 -73.936 20.861 -2.907 1.00 48.21 C ATOM 132 CD2 TYR A 18 -73.180 18.909 -1.750 1.00 62.67 C ATOM 133 CE1 TYR A 18 -72.627 21.223 -3.161 1.00 49.03 C ATOM 134 CE2 TYR A 18 -71.864 19.268 -1.997 1.00 64.20 C ATOM 135 CZ TYR A 18 -71.598 20.426 -2.705 1.00 57.15 C ATOM 136 OH TYR A 18 -70.301 20.800 -2.960 1.00 47.87 O ATOM 137 HH TYR A 18 -69.822 20.930 -2.104 1.00 0.00 H ATOM 138 H TYR A 18 -75.678 20.571 0.495 1.00 0.00 H ATOM 139 N LYS A 19 -78.713 20.654 -0.290 1.00 64.60 N ATOM 140 CA LYS A 19 -80.042 20.178 0.077 1.00 83.54 C ATOM 141 C LYS A 19 -81.016 20.244 -1.095 1.00 54.75 C ATOM 142 O LYS A 19 -81.909 19.396 -1.198 1.00 86.50 O ATOM 143 CB LYS A 19 -80.578 20.977 1.264 1.00 71.49 C ATOM 144 CG LYS A 19 -80.182 22.438 1.240 1.00 94.92 C ATOM 145 CD LYS A 19 -81.036 23.252 2.189 1.00106.85 C ATOM 146 CE LYS A 19 -80.366 23.386 3.542 1.00102.59 C ATOM 147 NZ LYS A 19 -80.965 24.493 4.333 1.00127.81 N ATOM 148 HZ1 LYS A 19 -80.851 25.388 3.816 1.00 0.00 H ATOM 149 HZ2 LYS A 19 -81.977 24.304 4.481 1.00 0.00 H ATOM 150 HZ3 LYS A 19 -80.485 24.559 5.253 1.00 0.00 H ATOM 151 H LYS A 19 -78.344 21.539 0.113 1.00 0.00 H ATOM 152 N ASP A 20 -80.861 21.219 -1.994 1.00 69.23 N ATOM 153 CA ASP A 20 -81.807 21.420 -3.091 1.00 67.97 C ATOM 154 C ASP A 20 -81.062 21.361 -4.421 1.00 72.54 C ATOM 155 O ASP A 20 -80.244 22.235 -4.726 1.00 67.51 O ATOM 156 CB ASP A 20 -82.564 22.742 -2.929 1.00 56.78 C ATOM 157 CG ASP A 20 -83.698 22.901 -3.934 1.00 70.17 C ATOM 158 OD1 ASP A 20 -83.872 22.014 -4.800 1.00 84.31 O ATOM 159 OD2 ASP A 20 -84.417 23.920 -3.855 1.00 81.34 O ATOM 160 H ASP A 20 -80.042 21.855 -1.912 1.00 0.00 H ATOM 161 N ASP A 21 -81.377 20.340 -5.216 1.00 62.56 N ATOM 162 CA ASP A 21 -80.756 20.100 -6.511 1.00 80.29 C ATOM 163 C ASP A 21 -81.402 20.889 -7.645 1.00 68.24 C ATOM 164 O ASP A 21 -80.900 20.844 -8.774 1.00 69.56 O ATOM 165 CB ASP A 21 -80.824 18.602 -6.832 1.00 70.01 C ATOM 166 CG ASP A 21 -79.747 18.158 -7.794 1.00 74.25 C ATOM 167 OD1 ASP A 21 -78.613 18.663 -7.680 1.00 81.69 O ATOM 168 OD2 ASP A 21 -80.032 17.300 -8.657 1.00 72.48 O ATOM 169 H ASP A 21 -82.109 19.676 -4.893 1.00 0.00 H ATOM 170 N THR A 22 -82.495 21.603 -7.384 1.00 66.79 N ATOM 171 CA THR A 22 -83.287 22.229 -8.436 1.00 56.28 C ATOM 172 C THR A 22 -82.993 23.711 -8.624 1.00 60.32 C ATOM 173 O THR A 22 -83.569 24.327 -9.526 1.00 83.97 O ATOM 174 CB THR A 22 -84.780 22.049 -8.148 1.00 72.54 C ATOM 175 OG1 THR A 22 -85.113 22.702 -6.915 1.00 85.17 O ATOM 176 CG2 THR A 22 -85.132 20.571 -8.050 1.00 63.17 C ATOM 177 HG1 THR A 22 -84.585 22.304 -6.179 1.00 0.00 H ATOM 178 H THR A 22 -82.794 21.718 -6.395 1.00 0.00 H ATOM 179 N LEU A 23 -82.123 24.299 -7.807 1.00 68.00 N ATOM 180 CA LEU A 23 -81.875 25.731 -7.902 1.00 57.47 C ATOM 181 C LEU A 23 -81.159 26.078 -9.199 1.00 59.26 C ATOM 182 O LEU A 23 -80.353 25.302 -9.719 1.00 75.86 O ATOM 183 CB LEU A 23 -81.059 26.219 -6.705 1.00 57.48 C ATOM 184 CG LEU A 23 -81.680 25.904 -5.344 1.00 78.51 C ATOM 185 CD1 LEU A 23 -80.846 26.467 -4.208 1.00 51.33 C ATOM 186 CD2 LEU A 23 -83.100 26.450 -5.291 1.00 62.96 C ATOM 187 H LEU A 23 -81.617 23.733 -7.096 1.00 0.00 H ATOM 188 N ASP A 24 -81.472 27.263 -9.722 1.00 59.05 N ATOM 189 CA ASP A 24 -80.764 27.772 -10.886 1.00 49.78 C ATOM 190 C ASP A 24 -79.287 27.951 -10.558 1.00 54.23 C ATOM 191 O ASP A 24 -78.922 28.371 -9.457 1.00 52.70 O ATOM 192 CB ASP A 24 -81.373 29.097 -11.344 1.00 52.05 C ATOM 193 CG ASP A 24 -80.689 29.660 -12.575 1.00 63.60 C ATOM 194 OD1 ASP A 24 -80.570 28.930 -13.581 1.00 69.71 O ATOM 195 OD2 ASP A 24 -80.270 30.835 -12.534 1.00 71.37 O ATOM 196 H ASP A 24 -82.231 27.830 -9.293 1.00 0.00 H ATOM 197 N HIS A 25 -78.435 27.614 -11.522 1.00 46.23 N ATOM 198 CA HIS A 25 -76.992 27.647 -11.331 1.00 60.38 C ATOM 199 C HIS A 25 -76.381 28.998 -11.663 1.00 55.39 C ATOM 200 O HIS A 25 -75.302 29.316 -11.152 1.00 57.08 O ATOM 201 CB HIS A 25 -76.329 26.588 -12.212 1.00 49.68 C ATOM 202 CG HIS A 25 -76.448 26.881 -13.673 1.00 46.25 C ATOM 203 ND1 HIS A 25 -77.612 26.671 -14.380 1.00 55.03 N ATOM 204 CD2 HIS A 25 -75.561 27.399 -14.554 1.00 56.04 C ATOM 205 CE1 HIS A 25 -77.433 27.032 -15.637 1.00 61.62 C ATOM 206 NE2 HIS A 25 -76.197 27.478 -15.769 1.00 74.86 N ATOM 207 H HIS A 25 -78.813 27.317 -12.444 1.00 0.00 H ATOM 208 N THR A 26 -77.046 29.786 -12.507 1.00 41.57 N ATOM 209 CA THR A 26 -76.479 31.024 -13.034 1.00 52.38 C ATOM 210 C THR A 26 -75.866 31.939 -11.976 1.00 55.94 C ATOM 211 O THR A 26 -74.760 32.441 -12.204 1.00 56.75 O ATOM 212 CB THR A 26 -77.557 31.768 -13.832 1.00 50.35 C ATOM 213 OG1 THR A 26 -78.301 30.825 -14.610 1.00 50.95 O ATOM 214 CG2 THR A 26 -76.919 32.795 -14.758 1.00 35.26 C ATOM 215 HG1 THR A 26 -78.728 30.166 -14.007 1.00 0.00 H ATOM 216 H THR A 26 -78.004 29.509 -12.801 1.00 0.00 H ATOM 217 N PRO A 27 -76.508 32.194 -10.825 1.00 65.59 N ATOM 218 CA PRO A 27 -75.886 33.101 -9.841 1.00 49.19 C ATOM 219 C PRO A 27 -74.550 32.611 -9.316 1.00 48.08 C ATOM 220 O PRO A 27 -73.811 33.407 -8.724 1.00 65.27 O ATOM 221 CB PRO A 27 -76.928 33.168 -8.716 1.00 52.69 C ATOM 222 CG PRO A 27 -78.208 32.773 -9.355 1.00 59.72 C ATOM 223 CD PRO A 27 -77.838 31.750 -10.376 1.00 57.05 C ATOM 224 N LEU A 28 -74.218 31.336 -9.515 1.00 60.73 N ATOM 225 CA LEU A 28 -72.984 30.753 -9.006 1.00 55.12 C ATOM 226 C LEU A 28 -71.795 30.975 -9.928 1.00 46.27 C ATOM 227 O LEU A 28 -70.651 30.976 -9.458 1.00 62.20 O ATOM 228 CB LEU A 28 -73.168 29.251 -8.796 1.00 41.03 C ATOM 229 CG LEU A 28 -73.111 28.653 -7.402 1.00 69.62 C ATOM 230 CD1 LEU A 28 -73.367 27.167 -7.527 1.00 69.45 C ATOM 231 CD2 LEU A 28 -71.756 28.925 -6.780 1.00 57.99 C ATOM 232 H LEU A 28 -74.868 30.731 -10.057 1.00 0.00 H ATOM 233 N ILE A 29 -72.042 31.147 -11.222 1.00 52.20 N ATOM 234 CA ILE A 29 -71.000 31.249 -12.243 1.00 50.04 C ATOM 235 C ILE A 29 -69.978 32.339 -11.926 1.00 47.21 C ATOM 236 O ILE A 29 -68.775 32.092 -12.085 1.00 49.85 O ATOM 237 CB ILE A 29 -71.630 31.456 -13.630 1.00 46.55 C ATOM 238 CG1 ILE A 29 -72.527 30.259 -13.977 1.00 44.80 C ATOM 239 CG2 ILE A 29 -70.571 31.660 -14.685 1.00 34.53 C ATOM 240 CD1 ILE A 29 -73.352 30.456 -15.231 1.00 42.77 C ATOM 241 H ILE A 29 -73.034 31.213 -11.527 1.00 0.00 H ATOM 242 N PRO A 30 -70.377 33.539 -11.487 1.00 54.03 N ATOM 243 CA PRO A 30 -69.366 34.544 -11.117 1.00 44.01 C ATOM 244 C PRO A 30 -68.385 34.087 -10.048 1.00 52.09 C ATOM 245 O PRO A 30 -67.296 34.667 -9.958 1.00 62.81 O ATOM 246 CB PRO A 30 -70.205 35.728 -10.615 1.00 44.87 C ATOM 247 CG PRO A 30 -71.495 35.594 -11.308 1.00 50.40 C ATOM 248 CD PRO A 30 -71.735 34.114 -11.456 1.00 49.99 C ATOM 249 N LYS A 31 -68.712 33.077 -9.244 1.00 47.57 N ATOM 250 CA LYS A 31 -67.845 32.715 -8.128 1.00 52.02 C ATOM 251 C LYS A 31 -66.761 31.723 -8.508 1.00 52.45 C ATOM 252 O LYS A 31 -65.876 31.454 -7.689 1.00 56.61 O ATOM 253 CB LYS A 31 -68.676 32.158 -6.971 1.00 44.32 C ATOM 254 CG LYS A 31 -69.474 33.236 -6.262 1.00103.60 C ATOM 255 CD LYS A 31 -68.577 34.111 -5.392 1.00101.13 C ATOM 256 CE LYS A 31 -69.180 35.487 -5.150 1.00 94.84 C ATOM 257 NZ LYS A 31 -68.248 36.581 -5.553 1.00111.29 N ATOM 258 HZ1 LYS A 31 -67.370 36.508 -5.001 1.00 0.00 H ATOM 259 HZ2 LYS A 31 -68.030 36.494 -6.566 1.00 0.00 H ATOM 260 HZ3 LYS A 31 -68.697 37.501 -5.372 1.00 0.00 H ATOM 261 H LYS A 31 -69.589 32.544 -9.412 1.00 0.00 H ATOM 262 N CYS A 32 -66.798 31.188 -9.722 1.00 49.78 N ATOM 263 CA CYS A 32 -65.719 30.332 -10.176 1.00 50.34 C ATOM 264 C CYS A 32 -64.451 31.143 -10.416 1.00 47.81 C ATOM 265 O CYS A 32 -64.484 32.347 -10.688 1.00 65.39 O ATOM 266 CB CYS A 32 -66.113 29.604 -11.455 1.00 38.63 C ATOM 267 SG CYS A 32 -67.522 28.506 -11.259 1.00 51.56 S ATOM 268 H CYS A 32 -67.604 31.383 -10.350 1.00 0.00 H ATOM 269 N ARG A 33 -63.320 30.457 -10.308 1.00 62.93 N ATOM 270 CA ARG A 33 -62.015 31.028 -10.588 1.00 51.00 C ATOM 271 C ARG A 33 -61.261 30.091 -11.519 1.00 56.40 C ATOM 272 O ARG A 33 -61.419 28.869 -11.459 1.00 51.02 O ATOM 273 CB ARG A 33 -61.204 31.252 -9.296 1.00 51.21 C ATOM 274 CG ARG A 33 -61.892 32.132 -8.256 1.00 39.53 C ATOM 275 CD ARG A 33 -61.775 33.603 -8.612 1.00 72.28 C ATOM 276 NE ARG A 33 -62.484 34.452 -7.660 1.00 93.98 N ATOM 277 CZ ARG A 33 -63.717 34.906 -7.847 1.00 62.52 C ATOM 278 NH1 ARG A 33 -64.377 34.595 -8.955 1.00 74.63 N ATOM 279 NH2 ARG A 33 -64.288 35.675 -6.932 1.00 76.37 N ATOM 280 HE ARG A 33 -61.993 34.717 -6.782 1.00 0.00 H ATOM 281 HH12 ARG A 33 -65.343 34.951 -9.102 1.00 0.00 H ATOM 282 HH11 ARG A 33 -63.928 33.996 -9.677 1.00 0.00 H ATOM 283 HH22 ARG A 33 -65.254 36.030 -7.080 1.00 0.00 H ATOM 284 HH21 ARG A 33 -63.770 35.924 -6.065 1.00 0.00 H ATOM 285 H ARG A 33 -63.371 29.462 -10.008 1.00 0.00 H ATOM 286 N ALA A 34 -60.448 30.675 -12.389 1.00 36.83 N ATOM 287 CA ALA A 34 -59.557 29.920 -13.253 1.00 58.39 C ATOM 288 C ALA A 34 -58.144 29.973 -12.687 1.00 43.72 C ATOM 289 O ALA A 34 -57.711 30.998 -12.153 1.00 64.08 O ATOM 290 CB ALA A 34 -59.579 30.468 -14.684 1.00 36.36 C ATOM 291 H ALA A 34 -60.448 31.713 -12.455 1.00 0.00 H ATOM 292 N GLN A 35 -57.430 28.853 -12.791 1.00 52.25 N ATOM 293 CA GLN A 35 -56.057 28.805 -12.308 1.00 50.17 C ATOM 294 C GLN A 35 -55.219 27.922 -13.220 1.00 58.47 C ATOM 295 O GLN A 35 -55.634 26.822 -13.597 1.00 57.31 O ATOM 296 CB GLN A 35 -55.986 28.312 -10.855 1.00 42.31 C ATOM 297 CG GLN A 35 -54.583 27.977 -10.374 1.00 58.16 C ATOM 298 CD GLN A 35 -54.540 27.648 -8.891 1.00 55.28 C ATOM 299 OE1 GLN A 35 -53.509 27.239 -8.364 1.00 69.02 O ATOM 300 NE2 GLN A 35 -55.657 27.859 -8.205 1.00 55.22 N ATOM 301 HE22 GLN A 35 -56.508 28.206 -8.691 1.00 0.00 H ATOM 302 HE21 GLN A 35 -55.681 27.677 -7.181 1.00 0.00 H ATOM 303 H GLN A 35 -57.856 28.007 -13.220 1.00 0.00 H ATOM 304 N VAL A 36 -54.040 28.423 -13.573 1.00 48.76 N ATOM 305 CA VAL A 36 -53.094 27.715 -14.423 1.00 46.71 C ATOM 306 C VAL A 36 -52.137 26.936 -13.533 1.00 63.13 C ATOM 307 O VAL A 36 -51.607 27.477 -12.553 1.00 58.11 O ATOM 308 CB VAL A 36 -52.335 28.693 -15.334 1.00 51.29 C ATOM 309 CG1 VAL A 36 -51.272 27.963 -16.150 1.00 51.29 C ATOM 310 CG2 VAL A 36 -53.312 29.431 -16.236 1.00 47.70 C ATOM 311 H VAL A 36 -53.780 29.368 -13.225 1.00 0.00 H ATOM 312 N ILE A 37 -51.926 25.665 -13.860 1.00 53.91 N ATOM 313 CA ILE A 37 -51.004 24.796 -13.141 1.00 58.76 C ATOM 314 C ILE A 37 -49.967 24.286 -14.131 1.00 56.40 C ATOM 315 O ILE A 37 -50.321 23.754 -15.189 1.00 78.64 O ATOM 316 CB ILE A 37 -51.742 23.628 -12.463 1.00 57.21 C ATOM 317 CG1 ILE A 37 -52.679 24.159 -11.376 1.00 58.91 C ATOM 318 CG2 ILE A 37 -50.748 22.624 -11.890 1.00 51.76 C ATOM 319 CD1 ILE A 37 -53.689 23.142 -10.888 1.00 57.23 C ATOM 320 H ILE A 37 -52.445 25.271 -14.670 1.00 0.00 H ATOM 321 N GLU A 38 -48.693 24.461 -13.797 1.00 56.26 N ATOM 322 CA GLU A 38 -47.609 24.042 -14.674 1.00 92.48 C ATOM 323 C GLU A 38 -47.257 22.592 -14.383 1.00 73.45 C ATOM 324 O GLU A 38 -46.946 22.238 -13.242 1.00 71.46 O ATOM 325 CB GLU A 38 -46.382 24.938 -14.511 1.00 62.88 C ATOM 326 CG GLU A 38 -46.504 26.267 -15.244 1.00 84.19 C ATOM 327 CD GLU A 38 -45.915 26.213 -16.646 1.00120.51 C ATOM 328 OE1 GLU A 38 -45.530 25.105 -17.080 1.00117.84 O ATOM 329 OE2 GLU A 38 -45.860 27.268 -17.320 1.00131.99 O ATOM 330 H GLU A 38 -48.464 24.908 -12.886 1.00 0.00 H ATOM 331 N PHE A 39 -47.330 21.763 -15.407 1.00 88.87 N ATOM 332 CA PHE A 39 -46.924 20.376 -15.350 1.00 72.18 C ATOM 333 C PHE A 39 -45.636 20.182 -16.131 1.00 90.06 C ATOM 334 O PHE A 39 -45.284 21.005 -16.984 1.00 73.72 O ATOM 335 CB PHE A 39 -48.020 19.469 -15.921 1.00 75.42 C ATOM 336 CG PHE A 39 -49.282 19.468 -15.113 1.00 63.37 C ATOM 337 CD1 PHE A 39 -49.354 18.761 -13.925 1.00 64.86 C ATOM 338 CD2 PHE A 39 -50.392 20.179 -15.535 1.00 76.95 C ATOM 339 CE1 PHE A 39 -50.516 18.755 -13.174 1.00 57.70 C ATOM 340 CE2 PHE A 39 -51.558 20.180 -14.787 1.00 71.99 C ATOM 341 CZ PHE A 39 -51.620 19.467 -13.606 1.00 54.81 C ATOM 342 H PHE A 39 -47.701 22.128 -16.307 1.00 0.00 H ATOM 343 N PRO A 40 -44.886 19.118 -15.835 1.00 95.30 N ATOM 344 CA PRO A 40 -43.679 18.819 -16.622 1.00 96.38 C ATOM 345 C PRO A 40 -43.870 18.955 -18.125 1.00 82.37 C ATOM 346 O PRO A 40 -42.992 19.494 -18.807 1.00105.26 O ATOM 347 CB PRO A 40 -43.371 17.372 -16.222 1.00 88.56 C ATOM 348 CG PRO A 40 -43.978 17.209 -14.833 1.00 92.38 C ATOM 349 CD PRO A 40 -44.906 18.371 -14.567 1.00 88.59 C ATOM 350 N ASP A 41 -45.000 18.503 -18.659 1.00 92.51 N ATOM 351 CA ASP A 41 -45.269 18.619 -20.087 1.00 86.85 C ATOM 352 C ASP A 41 -45.864 19.966 -20.480 1.00 88.70 C ATOM 353 O ASP A 41 -46.179 20.165 -21.658 1.00 85.28 O ATOM 354 CB ASP A 41 -46.201 17.490 -20.524 1.00116.12 C ATOM 355 CG ASP A 41 -47.280 17.208 -19.502 1.00144.51 C ATOM 356 OD1 ASP A 41 -47.795 18.173 -18.899 1.00128.70 O ATOM 357 OD2 ASP A 41 -47.600 16.020 -19.286 1.00133.31 O ATOM 358 H ASP A 41 -45.709 18.056 -18.043 1.00 0.00 H ATOM 359 N GLY A 42 -46.034 20.887 -19.534 1.00 88.11 N ATOM 360 CA GLY A 42 -46.528 22.207 -19.843 1.00 75.55 C ATOM 361 C GLY A 42 -47.657 22.645 -18.934 1.00 89.17 C ATOM 362 O GLY A 42 -48.108 21.906 -18.053 1.00 76.46 O ATOM 363 H GLY A 42 -45.805 20.649 -18.548 1.00 0.00 H ATOM 364 N PRO A 43 -48.136 23.868 -19.134 1.00 82.20 N ATOM 365 CA PRO A 43 -49.223 24.381 -18.299 1.00 75.08 C ATOM 366 C PRO A 43 -50.582 23.884 -18.757 1.00 58.09 C ATOM 367 O PRO A 43 -50.813 23.603 -19.936 1.00 72.75 O ATOM 368 CB PRO A 43 -49.110 25.899 -18.476 1.00 64.59 C ATOM 369 CG PRO A 43 -48.556 26.054 -19.852 1.00 61.92 C ATOM 370 CD PRO A 43 -47.625 24.886 -20.067 1.00 61.88 C ATOM 371 N ALA A 44 -51.491 23.789 -17.793 1.00 67.75 N ATOM 372 CA ALA A 44 -52.881 23.462 -18.055 1.00 60.94 C ATOM 373 C ALA A 44 -53.757 24.326 -17.162 1.00 55.77 C ATOM 374 O ALA A 44 -53.393 24.637 -16.025 1.00 70.36 O ATOM 375 CB ALA A 44 -53.168 21.975 -17.816 1.00 53.99 C ATOM 376 H ALA A 44 -51.195 23.956 -16.810 1.00 0.00 H ATOM 377 N THR A 45 -54.915 24.711 -17.687 1.00 55.12 N ATOM 378 CA THR A 45 -55.829 25.600 -16.987 1.00 57.07 C ATOM 379 C THR A 45 -56.981 24.814 -16.369 1.00 52.57 C ATOM 380 O THR A 45 -57.535 23.902 -16.991 1.00 51.96 O ATOM 381 CB THR A 45 -56.356 26.671 -17.944 1.00 46.78 C ATOM 382 OG1 THR A 45 -55.271 27.521 -18.328 1.00 67.42 O ATOM 383 CG2 THR A 45 -57.429 27.524 -17.281 1.00 46.98 C ATOM 384 HG1 THR A 45 -54.574 26.981 -18.779 1.00 0.00 H ATOM 385 H THR A 45 -55.177 24.365 -18.632 1.00 0.00 H ATOM 386 N PHE A 46 -57.323 25.163 -15.132 1.00 60.93 N ATOM 387 CA PHE A 46 -58.444 24.568 -14.423 1.00 39.22 C ATOM 388 C PHE A 46 -59.425 25.656 -14.019 1.00 56.77 C ATOM 389 O PHE A 46 -59.046 26.811 -13.807 1.00 52.08 O ATOM 390 CB PHE A 46 -57.984 23.803 -13.177 1.00 44.12 C ATOM 391 CG PHE A 46 -57.095 22.631 -13.479 1.00 60.53 C ATOM 392 CD1 PHE A 46 -55.773 22.820 -13.845 1.00 48.70 C ATOM 393 CD2 PHE A 46 -57.583 21.338 -13.396 1.00 41.48 C ATOM 394 CE1 PHE A 46 -54.954 21.744 -14.128 1.00 57.19 C ATOM 395 CE2 PHE A 46 -56.768 20.255 -13.672 1.00 47.65 C ATOM 396 CZ PHE A 46 -55.451 20.458 -14.041 1.00 41.28 C ATOM 397 H PHE A 46 -56.763 25.895 -14.650 1.00 0.00 H ATOM 398 N VAL A 47 -60.697 25.283 -13.937 1.00 51.30 N ATOM 399 CA VAL A 47 -61.728 26.129 -13.353 1.00 42.52 C ATOM 400 C VAL A 47 -62.112 25.516 -12.018 1.00 47.23 C ATOM 401 O VAL A 47 -62.433 24.323 -11.946 1.00 51.72 O ATOM 402 CB VAL A 47 -62.952 26.260 -14.273 1.00 49.53 C ATOM 403 CG1 VAL A 47 -64.031 27.076 -13.585 1.00 45.70 C ATOM 404 CG2 VAL A 47 -62.559 26.900 -15.591 1.00 57.43 C ATOM 405 H VAL A 47 -60.968 24.349 -14.305 1.00 0.00 H ATOM 406 N ARG A 48 -62.062 26.316 -10.959 1.00 55.52 N ATOM 407 CA ARG A 48 -62.372 25.822 -9.630 1.00 45.50 C ATOM 408 C ARG A 48 -63.488 26.634 -8.994 1.00 58.00 C ATOM 409 O ARG A 48 -63.626 27.839 -9.226 1.00 43.52 O ATOM 410 CB ARG A 48 -61.143 25.825 -8.717 1.00 51.91 C ATOM 411 CG ARG A 48 -60.424 27.143 -8.550 1.00 53.56 C ATOM 412 CD ARG A 48 -59.416 26.973 -7.433 1.00 50.94 C ATOM 413 NE ARG A 48 -58.449 28.057 -7.327 1.00 58.83 N ATOM 414 CZ ARG A 48 -58.686 29.218 -6.731 1.00 48.71 C ATOM 415 NH1 ARG A 48 -59.874 29.462 -6.198 1.00 66.58 N ATOM 416 NH2 ARG A 48 -57.732 30.133 -6.671 1.00 53.79 N ATOM 417 HE ARG A 48 -57.509 27.911 -7.747 1.00 0.00 H ATOM 418 HH12 ARG A 48 -60.057 30.373 -5.731 1.00 0.00 H ATOM 419 HH11 ARG A 48 -60.623 28.742 -6.246 1.00 0.00 H ATOM 420 HH22 ARG A 48 -57.914 31.044 -6.204 1.00 0.00 H ATOM 421 HH21 ARG A 48 -56.800 29.941 -7.090 1.00 0.00 H ATOM 422 H ARG A 48 -61.796 27.314 -11.084 1.00 0.00 H ATOM 423 N LEU A 49 -64.291 25.946 -8.191 1.00 44.13 N ATOM 424 CA LEU A 49 -65.373 26.564 -7.441 1.00 52.31 C ATOM 425 C LEU A 49 -65.239 26.118 -5.993 1.00 53.51 C ATOM 426 O LEU A 49 -65.221 24.916 -5.709 1.00 46.14 O ATOM 427 CB LEU A 49 -66.736 26.191 -8.038 1.00 40.74 C ATOM 428 CG LEU A 49 -67.986 26.507 -7.224 1.00 55.54 C ATOM 429 CD1 LEU A 49 -68.183 28.006 -7.191 1.00 44.35 C ATOM 430 CD2 LEU A 49 -69.193 25.836 -7.862 1.00 47.53 C ATOM 431 H LEU A 49 -64.140 24.922 -8.094 1.00 0.00 H ATOM 432 N LYS A 50 -65.099 27.082 -5.088 1.00 63.04 N ATOM 433 CA LYS A 50 -64.905 26.784 -3.679 1.00 42.16 C ATOM 434 C LYS A 50 -66.265 26.626 -3.012 1.00 67.02 C ATOM 435 O LYS A 50 -67.111 27.525 -3.082 1.00 60.89 O ATOM 436 CB LYS A 50 -64.091 27.882 -2.991 1.00 44.47 C ATOM 437 CG LYS A 50 -63.423 27.422 -1.709 1.00 58.38 C ATOM 438 CD LYS A 50 -63.404 28.508 -0.652 1.00 68.42 C ATOM 439 CE LYS A 50 -62.135 29.340 -0.737 1.00 73.89 C ATOM 440 NZ LYS A 50 -61.649 29.708 0.623 1.00 79.37 N ATOM 441 HZ1 LYS A 50 -62.380 30.261 1.113 1.00 0.00 H ATOM 442 HZ2 LYS A 50 -61.447 28.843 1.163 1.00 0.00 H ATOM 443 HZ3 LYS A 50 -60.782 30.276 0.538 1.00 0.00 H ATOM 444 H LYS A 50 -65.129 28.075 -5.396 1.00 0.00 H ATOM 445 N CYS A 51 -66.472 25.476 -2.381 1.00 48.09 N ATOM 446 CA CYS A 51 -67.732 25.135 -1.732 1.00 62.27 C ATOM 447 C CYS A 51 -67.457 24.964 -0.246 1.00 56.85 C ATOM 448 O CYS A 51 -66.776 24.016 0.159 1.00 62.41 O ATOM 449 CB CYS A 51 -68.333 23.867 -2.338 1.00 52.74 C ATOM 450 SG CYS A 51 -68.717 24.033 -4.094 1.00 69.02 S ATOM 451 H CYS A 51 -65.696 24.784 -2.348 1.00 0.00 H ATOM 452 N THR A 52 -67.957 25.890 0.560 1.00 60.56 N ATOM 453 CA THR A 52 -67.778 25.843 2.003 1.00 62.09 C ATOM 454 C THR A 52 -69.039 25.244 2.603 1.00 77.46 C ATOM 455 O THR A 52 -70.124 25.825 2.477 1.00 63.93 O ATOM 456 CB THR A 52 -67.507 27.234 2.571 1.00 75.57 C ATOM 457 OG1 THR A 52 -66.414 27.834 1.864 1.00 83.92 O ATOM 458 CG2 THR A 52 -67.168 27.147 4.060 1.00 68.63 C ATOM 459 HG1 THR A 52 -66.239 28.736 2.233 1.00 0.00 H ATOM 460 H THR A 52 -68.496 26.677 0.146 1.00 0.00 H ATOM 461 N ASN A 53 -68.898 24.075 3.233 1.00 73.34 N ATOM 462 CA ASN A 53 -70.002 23.460 3.948 1.00 83.57 C ATOM 463 C ASN A 53 -70.511 24.455 4.997 1.00107.45 C ATOM 464 O ASN A 53 -69.722 24.918 5.838 1.00 93.76 O ATOM 465 CB ASN A 53 -69.570 22.137 4.593 1.00 75.24 C ATOM 466 CG ASN A 53 -70.595 21.595 5.563 1.00 74.77 C ATOM 467 OD1 ASN A 53 -71.804 21.760 5.366 1.00127.29 O ATOM 468 ND2 ASN A 53 -70.124 20.913 6.600 1.00 96.26 N ATOM 469 HD22 ASN A 53 -69.098 20.800 6.725 1.00 0.00 H ATOM 470 HD21 ASN A 53 -70.781 20.492 7.287 1.00 0.00 H ATOM 471 H ASN A 53 -67.976 23.594 3.211 1.00 0.00 H ATOM 472 N PRO A 54 -71.789 24.844 4.942 1.00 94.33 N ATOM 473 CA PRO A 54 -72.266 25.915 5.836 1.00 87.58 C ATOM 474 C PRO A 54 -72.162 25.585 7.315 1.00 98.91 C ATOM 475 O PRO A 54 -72.026 26.509 8.128 1.00114.07 O ATOM 476 CB PRO A 54 -73.729 26.106 5.404 1.00 90.70 C ATOM 477 CG PRO A 54 -74.094 24.844 4.653 1.00 90.23 C ATOM 478 CD PRO A 54 -72.824 24.399 3.994 1.00 91.03 C ATOM 479 N GLU A 55 -72.197 24.306 7.694 1.00100.38 N ATOM 480 CA GLU A 55 -72.232 23.987 9.117 1.00 99.02 C ATOM 481 C GLU A 55 -70.852 23.624 9.675 1.00 97.46 C ATOM 482 O GLU A 55 -70.563 23.941 10.837 1.00114.60 O ATOM 483 CB GLU A 55 -73.267 22.887 9.387 1.00 93.63 C ATOM 484 CG GLU A 55 -74.692 23.371 9.073 1.00109.54 C ATOM 485 CD GLU A 55 -75.807 22.351 9.290 1.00133.73 C ATOM 486 OE1 GLU A 55 -76.969 22.714 9.006 1.00141.81 O ATOM 487 OE2 GLU A 55 -75.546 21.222 9.759 1.00139.28 O ATOM 488 H GLU A 55 -72.199 23.546 6.984 1.00 0.00 H ATOM 489 N SER A 56 -69.960 22.999 8.889 1.00111.65 N ATOM 490 CA SER A 56 -68.625 22.777 9.445 1.00 86.75 C ATOM 491 C SER A 56 -67.665 23.889 9.071 1.00113.38 C ATOM 492 O SER A 56 -66.513 23.858 9.511 1.00120.60 O ATOM 493 CB SER A 56 -67.989 21.462 8.982 1.00 83.84 C ATOM 494 OG SER A 56 -67.736 21.484 7.581 1.00 89.12 O ATOM 495 HG SER A 56 -67.326 20.625 7.307 1.00 0.00 H ATOM 496 H SER A 56 -70.207 22.687 7.928 1.00 0.00 H ATOM 497 N LYS A 57 -68.119 24.863 8.275 1.00109.04 N ATOM 498 CA LYS A 57 -67.308 26.000 7.812 1.00 96.35 C ATOM 499 C LYS A 57 -66.089 25.548 7.000 1.00 97.51 C ATOM 500 O LYS A 57 -65.143 26.312 6.812 1.00105.64 O ATOM 501 CB LYS A 57 -66.854 26.903 8.977 1.00 88.73 C ATOM 502 CG LYS A 57 -67.878 27.159 10.087 1.00103.56 C ATOM 503 CD LYS A 57 -67.257 26.958 11.487 1.00126.93 C ATOM 504 CE LYS A 57 -68.316 26.662 12.567 1.00132.34 C ATOM 505 NZ LYS A 57 -68.838 25.248 12.557 1.00140.56 N ATOM 506 HZ1 LYS A 57 -69.279 25.049 11.636 1.00 0.00 H ATOM 507 HZ2 LYS A 57 -68.050 24.588 12.715 1.00 0.00 H ATOM 508 HZ3 LYS A 57 -69.544 25.135 13.313 1.00 0.00 H ATOM 509 H LYS A 57 -69.110 24.814 7.963 1.00 0.00 H ATOM 510 N VAL A 58 -66.092 24.319 6.489 1.00 77.48 N ATOM 511 CA VAL A 58 -64.879 23.760 5.886 1.00 89.19 C ATOM 512 C VAL A 58 -64.986 23.761 4.365 1.00 99.62 C ATOM 513 O VAL A 58 -66.007 23.324 3.809 1.00 70.90 O ATOM 514 CB VAL A 58 -64.587 22.356 6.441 1.00 78.61 C ATOM 515 CG1 VAL A 58 -63.794 21.525 5.441 1.00 68.36 C ATOM 516 CG2 VAL A 58 -63.827 22.470 7.755 1.00 73.64 C ATOM 517 H VAL A 58 -66.962 23.751 6.518 1.00 0.00 H ATOM 518 N PRO A 59 -63.952 24.250 3.656 1.00 85.69 N ATOM 519 CA PRO A 59 -64.051 24.446 2.203 1.00 88.26 C ATOM 520 C PRO A 59 -63.484 23.297 1.384 1.00 88.42 C ATOM 521 O PRO A 59 -62.467 22.697 1.746 1.00100.39 O ATOM 522 CB PRO A 59 -63.241 25.728 1.988 1.00 67.28 C ATOM 523 CG PRO A 59 -62.152 25.608 3.019 1.00 56.40 C ATOM 524 CD PRO A 59 -62.761 24.911 4.217 1.00 72.65 C ATOM 525 N HIS A 60 -64.150 22.976 0.279 1.00 62.66 N ATOM 526 CA HIS A 60 -63.643 22.039 -0.709 1.00 62.14 C ATOM 527 C HIS A 60 -63.682 22.715 -2.069 1.00 50.93 C ATOM 528 O HIS A 60 -64.436 23.666 -2.283 1.00 57.48 O ATOM 529 CB HIS A 60 -64.464 20.744 -0.751 1.00 49.87 C ATOM 530 CG HIS A 60 -64.117 19.767 0.326 1.00 53.52 C ATOM 531 ND1 HIS A 60 -64.795 19.705 1.523 1.00 94.99 N ATOM 532 CD2 HIS A 60 -63.170 18.802 0.380 1.00 66.30 C ATOM 533 CE1 HIS A 60 -64.278 18.749 2.272 1.00 70.09 C ATOM 534 NE2 HIS A 60 -63.290 18.184 1.601 1.00 81.00 N ATOM 535 H HIS A 60 -65.078 23.416 0.114 1.00 0.00 H ATOM 536 N PHE A 61 -62.870 22.218 -2.994 1.00 54.68 N ATOM 537 CA PHE A 61 -62.862 22.729 -4.357 1.00 48.77 C ATOM 538 C PHE A 61 -63.538 21.739 -5.294 1.00 63.06 C ATOM 539 O PHE A 61 -63.226 20.544 -5.277 1.00 55.63 O ATOM 540 CB PHE A 61 -61.439 23.011 -4.835 1.00 47.13 C ATOM 541 CG PHE A 61 -60.801 24.169 -4.151 1.00 68.69 C ATOM 542 CD1 PHE A 61 -61.172 25.465 -4.472 1.00 60.80 C ATOM 543 CD2 PHE A 61 -59.837 23.969 -3.182 1.00 43.16 C ATOM 544 CE1 PHE A 61 -60.594 26.540 -3.836 1.00 64.36 C ATOM 545 CE2 PHE A 61 -59.253 25.042 -2.543 1.00 61.13 C ATOM 546 CZ PHE A 61 -59.633 26.327 -2.870 1.00 57.86 C ATOM 547 H PHE A 61 -62.224 21.444 -2.739 1.00 0.00 H ATOM 548 N LEU A 62 -64.486 22.236 -6.080 1.00 50.28 N ATOM 549 CA LEU A 62 -64.921 21.550 -7.282 1.00 50.12 C ATOM 550 C LEU A 62 -64.001 22.008 -8.400 1.00 40.26 C ATOM 551 O LEU A 62 -63.653 23.189 -8.483 1.00 56.69 O ATOM 552 CB LEU A 62 -66.380 21.877 -7.607 1.00 46.51 C ATOM 553 CG LEU A 62 -67.379 21.614 -6.470 1.00 43.89 C ATOM 554 CD1 LEU A 62 -68.811 21.647 -6.971 1.00 49.99 C ATOM 555 CD2 LEU A 62 -67.094 20.290 -5.775 1.00 47.62 C ATOM 556 H LEU A 62 -64.929 23.142 -5.827 1.00 0.00 H ATOM 557 N MET A 63 -63.570 21.069 -9.228 1.00 55.55 N ATOM 558 CA MET A 63 -62.510 21.369 -10.171 1.00 55.26 C ATOM 559 C MET A 63 -62.826 20.759 -11.523 1.00 66.71 C ATOM 560 O MET A 63 -63.439 19.691 -11.626 1.00 49.60 O ATOM 561 CB MET A 63 -61.171 20.869 -9.653 1.00 44.54 C ATOM 562 CG MET A 63 -61.296 19.558 -8.952 1.00 46.65 C ATOM 563 SD MET A 63 -59.728 19.040 -8.271 1.00 89.14 S ATOM 564 CE MET A 63 -59.536 20.195 -6.941 1.00 86.97 C ATOM 565 H MET A 63 -63.991 20.118 -9.202 1.00 0.00 H ATOM 566 N ARG A 64 -62.382 21.458 -12.558 1.00 62.32 N ATOM 567 CA ARG A 64 -62.703 21.140 -13.936 1.00 51.81 C ATOM 568 C ARG A 64 -61.486 21.475 -14.781 1.00 54.75 C ATOM 569 O ARG A 64 -60.824 22.488 -14.541 1.00 51.38 O ATOM 570 CB ARG A 64 -63.934 21.934 -14.389 1.00 52.42 C ATOM 571 CG ARG A 64 -64.202 21.890 -15.870 1.00 49.39 C ATOM 572 CD ARG A 64 -65.193 22.969 -16.275 1.00 51.64 C ATOM 573 NE ARG A 64 -64.769 23.637 -17.501 1.00 79.46 N ATOM 574 CZ ARG A 64 -65.215 24.823 -17.888 1.00 59.92 C ATOM 575 NH1 ARG A 64 -66.100 25.465 -17.146 1.00 62.64 N ATOM 576 NH2 ARG A 64 -64.777 25.368 -19.012 1.00 93.34 N ATOM 577 HE ARG A 64 -64.076 23.154 -18.107 1.00 0.00 H ATOM 578 HH12 ARG A 64 -66.453 26.396 -17.446 1.00 0.00 H ATOM 579 HH11 ARG A 64 -66.444 25.039 -16.262 1.00 0.00 H ATOM 580 HH22 ARG A 64 -65.131 26.299 -19.311 1.00 0.00 H ATOM 581 HH21 ARG A 64 -64.079 24.865 -19.596 1.00 0.00 H ATOM 582 H ARG A 64 -61.771 22.278 -12.372 1.00 0.00 H ATOM 583 N MET A 65 -61.165 20.607 -15.739 1.00 50.37 N ATOM 584 CA MET A 65 -60.113 20.921 -16.697 1.00 46.34 C ATOM 585 C MET A 65 -60.680 21.795 -17.805 1.00 58.23 C ATOM 586 O MET A 65 -61.756 21.516 -18.340 1.00 55.79 O ATOM 587 CB MET A 65 -59.488 19.656 -17.288 1.00 42.38 C ATOM 588 CG MET A 65 -58.639 18.837 -16.323 1.00 68.66 C ATOM 589 SD MET A 65 -58.593 17.093 -16.770 1.00 64.97 S ATOM 590 CE MET A 65 -56.936 16.873 -17.352 1.00 72.12 C ATOM 591 H MET A 65 -61.668 19.699 -15.804 1.00 0.00 H ATOM 592 N ALA A 66 -59.953 22.856 -18.151 1.00 57.81 N ATOM 593 CA ALA A 66 -60.484 23.821 -19.106 1.00 54.03 C ATOM 594 C ALA A 66 -60.590 23.228 -20.509 1.00 44.52 C ATOM 595 O ALA A 66 -61.545 23.517 -21.239 1.00 73.85 O ATOM 596 CB ALA A 66 -59.616 25.077 -19.108 1.00 41.53 C ATOM 597 H ALA A 66 -59.008 22.996 -17.740 1.00 0.00 H ATOM 598 N LYS A 67 -59.635 22.379 -20.898 1.00 52.28 N ATOM 599 CA LYS A 67 -59.541 21.974 -22.299 1.00 61.04 C ATOM 600 C LYS A 67 -60.675 21.036 -22.699 1.00 52.56 C ATOM 601 O LYS A 67 -61.290 21.218 -23.755 1.00 86.94 O ATOM 602 CB LYS A 67 -58.184 21.328 -22.585 1.00 67.10 C ATOM 603 CG LYS A 67 -57.944 21.081 -24.080 1.00 97.27 C ATOM 604 CD LYS A 67 -56.697 21.780 -24.617 1.00 98.95 C ATOM 605 CE LYS A 67 -56.957 23.238 -24.970 1.00 83.06 C ATOM 606 NZ LYS A 67 -55.727 23.886 -25.512 1.00 80.14 N ATOM 607 HZ1 LYS A 67 -54.972 23.845 -24.798 1.00 0.00 H ATOM 608 HZ2 LYS A 67 -55.422 23.384 -26.370 1.00 0.00 H ATOM 609 HZ3 LYS A 67 -55.933 24.879 -25.744 1.00 0.00 H ATOM 610 H LYS A 67 -58.957 22.006 -20.203 1.00 0.00 H ATOM 611 N ASP A 68 -60.969 20.022 -21.880 1.00 54.58 N ATOM 612 CA ASP A 68 -62.036 19.088 -22.223 1.00 56.58 C ATOM 613 C ASP A 68 -63.120 18.980 -21.153 1.00 43.07 C ATOM 614 O ASP A 68 -63.981 18.100 -21.253 1.00 56.24 O ATOM 615 CB ASP A 68 -61.461 17.697 -22.549 1.00 45.05 C ATOM 616 CG ASP A 68 -60.753 17.037 -21.363 1.00 53.24 C ATOM 617 OD1 ASP A 68 -60.890 17.500 -20.210 1.00 63.08 O ATOM 618 OD2 ASP A 68 -60.060 16.023 -21.597 1.00 73.55 O ATOM 619 H ASP A 68 -60.436 19.898 -20.996 1.00 0.00 H ATOM 620 N SER A 69 -63.107 19.849 -20.141 1.00 53.44 N ATOM 621 CA SER A 69 -64.149 19.903 -19.112 1.00 44.97 C ATOM 622 C SER A 69 -64.252 18.605 -18.313 1.00 53.73 C ATOM 623 O SER A 69 -65.321 18.269 -17.799 1.00 50.79 O ATOM 624 CB SER A 69 -65.511 20.274 -19.710 1.00 42.49 C ATOM 625 OG SER A 69 -65.588 21.668 -19.970 1.00 64.73 O ATOM 626 HG SER A 69 -66.475 21.882 -20.355 1.00 0.00 H ATOM 627 H SER A 69 -62.317 20.523 -20.079 1.00 0.00 H ATOM 628 N SER A 70 -63.153 17.863 -18.196 1.00 65.96 N ATOM 629 CA SER A 70 -63.126 16.717 -17.298 1.00 48.84 C ATOM 630 C SER A 70 -63.216 17.208 -15.859 1.00 56.76 C ATOM 631 O SER A 70 -62.555 18.181 -15.481 1.00 58.27 O ATOM 632 CB SER A 70 -61.852 15.901 -17.509 1.00 46.75 C ATOM 633 OG SER A 70 -61.738 15.468 -18.854 1.00 63.92 O ATOM 634 HG SER A 70 -61.712 16.256 -19.452 1.00 0.00 H ATOM 635 H SER A 70 -62.307 18.104 -18.750 1.00 0.00 H ATOM 636 N ILE A 71 -64.038 16.540 -15.057 1.00 49.83 N ATOM 637 CA ILE A 71 -64.339 16.972 -13.699 1.00 59.25 C ATOM 638 C ILE A 71 -63.905 15.885 -12.725 1.00 52.87 C ATOM 639 O ILE A 71 -64.110 14.694 -12.979 1.00 50.33 O ATOM 640 CB ILE A 71 -65.841 17.294 -13.548 1.00 53.52 C ATOM 641 CG1 ILE A 71 -66.195 18.548 -14.355 1.00 50.65 C ATOM 642 CG2 ILE A 71 -66.199 17.493 -12.099 1.00 50.61 C ATOM 643 CD1 ILE A 71 -67.666 18.879 -14.350 1.00 56.40 C ATOM 644 H ILE A 71 -64.486 15.672 -15.414 1.00 0.00 H ATOM 645 N SER A 72 -63.289 16.298 -11.620 1.00 45.09 N ATOM 646 CA SER A 72 -62.825 15.367 -10.593 1.00 63.02 C ATOM 647 C SER A 72 -64.011 14.823 -9.805 1.00 41.60 C ATOM 648 O SER A 72 -64.609 15.537 -8.992 1.00 53.59 O ATOM 649 CB SER A 72 -61.837 16.060 -9.663 1.00 45.17 C ATOM 650 OG SER A 72 -61.699 15.329 -8.459 1.00 48.49 O ATOM 651 HG SER A 72 -62.579 15.268 -8.009 1.00 0.00 H ATOM 652 H SER A 72 -63.133 17.317 -11.483 1.00 0.00 H ATOM 653 N ALA A 73 -64.345 13.550 -10.039 1.00 55.94 N ATOM 654 CA ALA A 73 -65.446 12.925 -9.318 1.00 41.32 C ATOM 655 C ALA A 73 -65.139 12.790 -7.833 1.00 58.55 C ATOM 656 O ALA A 73 -66.046 12.917 -7.002 1.00 52.95 O ATOM 657 CB ALA A 73 -65.764 11.557 -9.923 1.00 43.19 C ATOM 658 H ALA A 73 -63.813 13.000 -10.743 1.00 0.00 H ATOM 659 N THR A 74 -63.875 12.549 -7.472 1.00 38.80 N ATOM 660 CA THR A 74 -63.570 12.397 -6.056 1.00 76.67 C ATOM 661 C THR A 74 -63.627 13.727 -5.319 1.00 54.92 C ATOM 662 O THR A 74 -63.880 13.746 -4.112 1.00 60.71 O ATOM 663 CB THR A 74 -62.201 11.738 -5.843 1.00 49.06 C ATOM 664 OG1 THR A 74 -61.183 12.727 -5.815 1.00 91.93 O ATOM 665 CG2 THR A 74 -61.902 10.787 -6.915 1.00 39.14 C ATOM 666 HG1 THR A 74 -60.305 12.291 -5.677 1.00 0.00 H ATOM 667 H THR A 74 -63.124 12.472 -8.188 1.00 0.00 H ATOM 668 N SER A 75 -63.402 14.846 -6.011 1.00 51.85 N ATOM 669 CA SER A 75 -63.604 16.137 -5.360 1.00 53.70 C ATOM 670 C SER A 75 -65.082 16.391 -5.101 1.00 45.86 C ATOM 671 O SER A 75 -65.451 16.910 -4.042 1.00 67.30 O ATOM 672 CB SER A 75 -63.001 17.263 -6.197 1.00 50.99 C ATOM 673 OG SER A 75 -61.593 17.297 -6.049 1.00 80.97 O ATOM 674 HG SER A 75 -61.210 16.435 -6.348 1.00 0.00 H ATOM 675 H SER A 75 -63.087 14.799 -7.001 1.00 0.00 H ATOM 676 N MET A 76 -65.939 16.028 -6.059 1.00 55.20 N ATOM 677 CA MET A 76 -67.382 16.087 -5.850 1.00 46.21 C ATOM 678 C MET A 76 -67.783 15.255 -4.640 1.00 70.77 C ATOM 679 O MET A 76 -68.535 15.713 -3.769 1.00 53.47 O ATOM 680 CB MET A 76 -68.101 15.570 -7.096 1.00 43.50 C ATOM 681 CG MET A 76 -68.309 16.572 -8.223 1.00 50.51 C ATOM 682 SD MET A 76 -69.360 15.863 -9.518 1.00 51.81 S ATOM 683 CE MET A 76 -68.146 15.077 -10.544 1.00 77.46 C ATOM 684 H MET A 76 -65.570 15.696 -6.973 1.00 0.00 H ATOM 685 N PHE A 77 -67.278 14.021 -4.575 1.00 49.49 N ATOM 686 CA PHE A 77 -67.659 13.097 -3.516 1.00 48.80 C ATOM 687 C PHE A 77 -67.299 13.651 -2.143 1.00 65.41 C ATOM 688 O PHE A 77 -68.118 13.625 -1.216 1.00 55.92 O ATOM 689 CB PHE A 77 -66.983 11.745 -3.759 1.00 48.55 C ATOM 690 CG PHE A 77 -67.311 10.711 -2.731 1.00 48.44 C ATOM 691 CD1 PHE A 77 -68.443 9.924 -2.858 1.00 45.31 C ATOM 692 CD2 PHE A 77 -66.484 10.521 -1.635 1.00 63.91 C ATOM 693 CE1 PHE A 77 -68.746 8.970 -1.906 1.00 51.96 C ATOM 694 CE2 PHE A 77 -66.781 9.574 -0.683 1.00 51.16 C ATOM 695 CZ PHE A 77 -67.911 8.794 -0.818 1.00 56.30 C ATOM 696 H PHE A 77 -66.597 13.712 -5.298 1.00 0.00 H ATOM 697 N ARG A 78 -66.073 14.167 -1.998 1.00 40.53 N ATOM 698 CA ARG A 78 -65.611 14.623 -0.690 1.00 59.26 C ATOM 699 C ARG A 78 -66.311 15.897 -0.249 1.00 58.62 C ATOM 700 O ARG A 78 -66.439 16.144 0.957 1.00 65.45 O ATOM 701 CB ARG A 78 -64.099 14.826 -0.697 1.00 41.47 C ATOM 702 CG ARG A 78 -63.336 13.601 -1.123 1.00 61.51 C ATOM 703 CD ARG A 78 -61.847 13.842 -1.070 1.00 43.69 C ATOM 704 NE ARG A 78 -61.153 12.583 -1.241 1.00 76.01 N ATOM 705 CZ ARG A 78 -59.841 12.474 -1.373 1.00 82.05 C ATOM 706 NH1 ARG A 78 -59.086 13.564 -1.358 1.00 76.55 N ATOM 707 NH2 ARG A 78 -59.286 11.278 -1.525 1.00 74.28 N ATOM 708 HE ARG A 78 -61.720 11.711 -1.261 1.00 0.00 H ATOM 709 HH12 ARG A 78 -58.054 13.483 -1.461 1.00 0.00 H ATOM 710 HH11 ARG A 78 -59.526 14.499 -1.243 1.00 0.00 H ATOM 711 HH22 ARG A 78 -58.255 11.193 -1.629 1.00 0.00 H ATOM 712 HH21 ARG A 78 -59.882 10.426 -1.540 1.00 0.00 H ATOM 713 H ARG A 78 -65.444 14.244 -2.823 1.00 0.00 H ATOM 714 N SER A 79 -66.766 16.713 -1.197 1.00 42.72 N ATOM 715 CA SER A 79 -67.543 17.884 -0.819 1.00 61.37 C ATOM 716 C SER A 79 -68.961 17.483 -0.434 1.00 57.50 C ATOM 717 O SER A 79 -69.546 18.045 0.499 1.00 55.81 O ATOM 718 CB SER A 79 -67.565 18.891 -1.965 1.00 43.40 C ATOM 719 OG SER A 79 -68.573 19.861 -1.755 1.00 61.07 O ATOM 720 HG SER A 79 -68.572 20.504 -2.507 1.00 0.00 H ATOM 721 H SER A 79 -66.568 16.516 -2.199 1.00 0.00 H ATOM 722 N ALA A 80 -69.522 16.496 -1.139 1.00 57.67 N ATOM 723 CA ALA A 80 -70.877 16.046 -0.865 1.00 53.80 C ATOM 724 C ALA A 80 -70.973 15.272 0.442 1.00 55.13 C ATOM 725 O ALA A 80 -71.942 15.437 1.183 1.00 59.60 O ATOM 726 CB ALA A 80 -71.378 15.192 -2.026 1.00 43.13 C ATOM 727 H ALA A 80 -68.978 16.040 -1.899 1.00 0.00 H ATOM 728 N PHE A 81 -69.990 14.447 0.764 1.00 54.20 N ATOM 729 CA PHE A 81 -70.066 13.581 1.938 1.00 58.10 C ATOM 730 C PHE A 81 -68.873 13.850 2.848 1.00 71.09 C ATOM 731 O PHE A 81 -67.849 13.156 2.790 1.00 54.52 O ATOM 732 CB PHE A 81 -70.155 12.122 1.508 1.00 44.65 C ATOM 733 CG PHE A 81 -71.105 11.895 0.352 1.00 63.25 C ATOM 734 CD1 PHE A 81 -72.474 11.874 0.559 1.00 45.93 C ATOM 735 CD2 PHE A 81 -70.629 11.747 -0.942 1.00 52.46 C ATOM 736 CE1 PHE A 81 -73.352 11.681 -0.494 1.00 53.76 C ATOM 737 CE2 PHE A 81 -71.495 11.552 -2.005 1.00 55.05 C ATOM 738 CZ PHE A 81 -72.861 11.518 -1.783 1.00 45.87 C ATOM 739 H PHE A 81 -69.140 14.414 0.165 1.00 0.00 H ATOM 740 N PRO A 82 -68.986 14.850 3.727 1.00 67.58 N ATOM 741 CA PRO A 82 -67.823 15.214 4.555 1.00 74.65 C ATOM 742 C PRO A 82 -67.413 14.141 5.548 1.00 76.59 C ATOM 743 O PRO A 82 -66.229 14.066 5.898 1.00 84.03 O ATOM 744 CB PRO A 82 -68.278 16.498 5.282 1.00 75.83 C ATOM 745 CG PRO A 82 -69.580 16.877 4.665 1.00103.80 C ATOM 746 CD PRO A 82 -70.172 15.624 4.109 1.00 67.09 C ATOM 747 N LYS A 83 -68.343 13.307 6.017 1.00 51.74 N ATOM 748 CA LYS A 83 -68.038 12.297 7.022 1.00 58.84 C ATOM 749 C LYS A 83 -67.930 10.896 6.423 1.00 80.12 C ATOM 750 O LYS A 83 -68.186 9.899 7.109 1.00 78.99 O ATOM 751 CB LYS A 83 -69.085 12.329 8.139 1.00 59.86 C ATOM 752 CG LYS A 83 -68.932 13.485 9.126 1.00 62.68 C ATOM 753 CD LYS A 83 -70.011 13.449 10.205 1.00 78.75 C ATOM 754 CE LYS A 83 -69.411 13.531 11.611 1.00113.43 C ATOM 755 NZ LYS A 83 -69.774 12.366 12.481 1.00111.10 N ATOM 756 HZ1 LYS A 83 -70.808 12.321 12.584 1.00 0.00 H ATOM 757 HZ2 LYS A 83 -69.429 11.488 12.044 1.00 0.00 H ATOM 758 HZ3 LYS A 83 -69.336 12.484 13.417 1.00 0.00 H ATOM 759 H LYS A 83 -69.315 13.380 5.654 1.00 0.00 H ATOM 760 N ALA A 84 -67.545 10.799 5.155 1.00 60.34 N ATOM 761 CA ALA A 84 -67.433 9.508 4.496 1.00 57.78 C ATOM 762 C ALA A 84 -66.153 8.796 4.915 1.00 56.00 C ATOM 763 O ALA A 84 -65.101 9.421 5.075 1.00 59.34 O ATOM 764 CB ALA A 84 -67.455 9.685 2.979 1.00 50.60 C ATOM 765 H ALA A 84 -67.319 11.664 4.623 1.00 0.00 H ATOM 766 N THR A 85 -66.246 7.480 5.087 1.00 55.21 N ATOM 767 CA THR A 85 -65.052 6.681 5.317 1.00 59.34 C ATOM 768 C THR A 85 -64.282 6.484 4.011 1.00 61.93 C ATOM 769 O THR A 85 -64.803 6.696 2.912 1.00 50.90 O ATOM 770 CB THR A 85 -65.413 5.318 5.909 1.00 62.50 C ATOM 771 OG1 THR A 85 -66.042 4.513 4.904 1.00 76.76 O ATOM 772 CG2 THR A 85 -66.363 5.477 7.084 1.00 68.47 C ATOM 773 HG1 THR A 85 -66.864 4.965 4.588 1.00 0.00 H ATOM 774 H THR A 85 -67.178 7.020 5.057 1.00 0.00 H ATOM 775 N GLN A 86 -63.023 6.061 4.139 1.00 51.69 N ATOM 776 CA GLN A 86 -62.241 5.781 2.941 1.00 57.52 C ATOM 777 C GLN A 86 -62.820 4.598 2.180 1.00 50.05 C ATOM 778 O GLN A 86 -62.819 4.586 0.943 1.00 69.84 O ATOM 779 CB GLN A 86 -60.781 5.520 3.298 1.00 47.54 C ATOM 780 CG GLN A 86 -59.917 5.315 2.073 1.00 52.27 C ATOM 781 CD GLN A 86 -59.852 6.568 1.213 1.00 82.19 C ATOM 782 OE1 GLN A 86 -59.487 7.641 1.687 1.00 93.82 O ATOM 783 NE2 GLN A 86 -60.253 6.444 -0.047 1.00 71.35 N ATOM 784 HE22 GLN A 86 -60.554 5.516 -0.408 1.00 0.00 H ATOM 785 HE21 GLN A 86 -60.266 7.275 -0.673 1.00 0.00 H ATOM 786 H GLN A 86 -62.604 5.933 5.082 1.00 0.00 H ATOM 787 N GLU A 87 -63.338 3.601 2.903 1.00 52.96 N ATOM 788 CA GLU A 87 -63.966 2.462 2.242 1.00 63.17 C ATOM 789 C GLU A 87 -65.199 2.891 1.459 1.00 56.44 C ATOM 790 O GLU A 87 -65.467 2.354 0.379 1.00 69.15 O ATOM 791 CB GLU A 87 -64.325 1.376 3.260 1.00 55.77 C ATOM 792 CG GLU A 87 -63.132 0.757 4.012 1.00 63.60 C ATOM 793 CD GLU A 87 -62.514 1.661 5.078 1.00 63.57 C ATOM 794 OE1 GLU A 87 -63.017 2.786 5.287 1.00 85.26 O ATOM 795 OE2 GLU A 87 -61.518 1.239 5.707 1.00 70.39 O ATOM 796 H GLU A 87 -63.293 3.637 3.941 1.00 0.00 H ATOM 797 N GLU A 88 -65.962 3.856 1.982 1.00 62.90 N ATOM 798 CA GLU A 88 -67.100 4.378 1.231 1.00 52.19 C ATOM 799 C GLU A 88 -66.641 5.068 -0.047 1.00 70.24 C ATOM 800 O GLU A 88 -67.246 4.889 -1.111 1.00 48.11 O ATOM 801 CB GLU A 88 -67.909 5.343 2.098 1.00 49.38 C ATOM 802 CG GLU A 88 -69.006 4.681 2.916 1.00 65.02 C ATOM 803 CD GLU A 88 -69.550 5.586 4.004 1.00 65.84 C ATOM 804 OE1 GLU A 88 -68.774 6.408 4.541 1.00 72.19 O ATOM 805 OE2 GLU A 88 -70.756 5.480 4.318 1.00 58.34 O ATOM 806 H GLU A 88 -65.745 4.236 2.926 1.00 0.00 H ATOM 807 N GLU A 89 -65.565 5.852 0.038 1.00 53.18 N ATOM 808 CA GLU A 89 -65.054 6.539 -1.142 1.00 60.44 C ATOM 809 C GLU A 89 -64.545 5.544 -2.176 1.00 64.50 C ATOM 810 O GLU A 89 -64.922 5.601 -3.352 1.00 62.92 O ATOM 811 CB GLU A 89 -63.948 7.512 -0.741 1.00 51.59 C ATOM 812 CG GLU A 89 -63.401 8.328 -1.898 1.00 51.73 C ATOM 813 CD GLU A 89 -62.350 9.327 -1.459 1.00 51.40 C ATOM 814 OE1 GLU A 89 -61.181 9.194 -1.878 1.00 54.96 O ATOM 815 OE2 GLU A 89 -62.696 10.249 -0.692 1.00 73.08 O ATOM 816 H GLU A 89 -65.087 5.974 0.953 1.00 0.00 H ATOM 817 N ASP A 90 -63.683 4.619 -1.749 1.00 46.80 N ATOM 818 CA ASP A 90 -63.164 3.609 -2.665 1.00 57.02 C ATOM 819 C ASP A 90 -64.291 2.803 -3.301 1.00 72.56 C ATOM 820 O ASP A 90 -64.236 2.470 -4.490 1.00 55.17 O ATOM 821 CB ASP A 90 -62.195 2.688 -1.927 1.00 44.91 C ATOM 822 CG ASP A 90 -60.911 3.394 -1.519 1.00 55.23 C ATOM 823 OD1 ASP A 90 -60.591 4.441 -2.119 1.00 66.19 O ATOM 824 OD2 ASP A 90 -60.221 2.895 -0.603 1.00 80.55 O ATOM 825 H ASP A 90 -63.379 4.618 -0.755 1.00 0.00 H ATOM 826 N LEU A 91 -65.326 2.487 -2.522 1.00 43.40 N ATOM 827 CA LEU A 91 -66.473 1.775 -3.077 1.00 46.07 C ATOM 828 C LEU A 91 -67.103 2.543 -4.234 1.00 45.37 C ATOM 829 O LEU A 91 -67.407 1.960 -5.283 1.00 65.09 O ATOM 830 CB LEU A 91 -67.508 1.508 -1.982 1.00 54.55 C ATOM 831 CG LEU A 91 -68.749 0.765 -2.487 1.00 45.23 C ATOM 832 CD1 LEU A 91 -68.439 -0.692 -2.793 1.00 47.00 C ATOM 833 CD2 LEU A 91 -69.928 0.899 -1.534 1.00 60.31 C ATOM 834 H LEU A 91 -65.316 2.749 -1.516 1.00 0.00 H ATOM 835 N GLU A 92 -67.294 3.856 -4.067 1.00 64.68 N ATOM 836 CA GLU A 92 -68.005 4.637 -5.077 1.00 64.44 C ATOM 837 C GLU A 92 -67.119 4.948 -6.277 1.00 56.58 C ATOM 838 O GLU A 92 -67.597 4.989 -7.417 1.00 51.87 O ATOM 839 CB GLU A 92 -68.539 5.934 -4.469 1.00 43.97 C ATOM 840 CG GLU A 92 -68.957 6.978 -5.509 1.00 39.61 C ATOM 841 CD GLU A 92 -70.399 6.798 -5.947 1.00 57.73 C ATOM 842 OE1 GLU A 92 -70.983 5.746 -5.599 1.00 55.15 O ATOM 843 OE2 GLU A 92 -70.945 7.694 -6.634 1.00 60.82 O ATOM 844 H GLU A 92 -66.934 4.325 -3.212 1.00 0.00 H ATOM 845 N MET A 93 -65.831 5.200 -6.039 1.00 46.15 N ATOM 846 CA MET A 93 -64.906 5.398 -7.147 1.00 60.72 C ATOM 847 C MET A 93 -64.803 4.142 -7.991 1.00 56.95 C ATOM 848 O MET A 93 -64.773 4.210 -9.225 1.00 65.16 O ATOM 849 CB MET A 93 -63.530 5.791 -6.621 1.00 40.79 C ATOM 850 CG MET A 93 -63.550 7.006 -5.736 1.00 66.27 C ATOM 851 SD MET A 93 -63.933 8.430 -6.746 1.00 57.65 S ATOM 852 CE MET A 93 -65.435 9.005 -5.996 1.00 59.55 C ATOM 853 H MET A 93 -65.486 5.255 -5.059 1.00 0.00 H ATOM 854 N ARG A 94 -64.733 2.982 -7.335 1.00 73.53 N ATOM 855 CA ARG A 94 -64.831 1.714 -8.045 1.00 47.36 C ATOM 856 C ARG A 94 -66.110 1.645 -8.864 1.00 66.55 C ATOM 857 O ARG A 94 -66.100 1.170 -10.004 1.00 53.64 O ATOM 858 CB ARG A 94 -64.775 0.550 -7.058 1.00 65.16 C ATOM 859 CG ARG A 94 -65.242 -0.742 -7.669 1.00 65.13 C ATOM 860 CD ARG A 94 -64.112 -1.322 -8.503 1.00 51.61 C ATOM 861 NE ARG A 94 -64.521 -2.510 -9.236 1.00 83.98 N ATOM 862 CZ ARG A 94 -63.839 -3.649 -9.241 1.00 82.28 C ATOM 863 NH1 ARG A 94 -62.739 -3.760 -8.511 1.00 73.57 N ATOM 864 NH2 ARG A 94 -64.270 -4.686 -9.954 1.00 61.83 N ATOM 865 HE ARG A 94 -65.400 -2.464 -9.789 1.00 0.00 H ATOM 866 HH12 ARG A 94 -62.202 -4.651 -8.512 1.00 0.00 H ATOM 867 HH11 ARG A 94 -62.413 -2.957 -7.937 1.00 0.00 H ATOM 868 HH22 ARG A 94 -63.732 -5.576 -9.955 1.00 0.00 H ATOM 869 HH21 ARG A 94 -65.145 -4.607 -10.511 1.00 0.00 H ATOM 870 H ARG A 94 -64.607 2.983 -6.303 1.00 0.00 H ATOM 871 N TRP A 95 -67.223 2.115 -8.297 1.00 63.48 N ATOM 872 CA TRP A 95 -68.489 2.125 -9.024 1.00 45.59 C ATOM 873 C TRP A 95 -68.399 3.005 -10.261 1.00 62.55 C ATOM 874 O TRP A 95 -68.860 2.627 -11.345 1.00 56.95 O ATOM 875 CB TRP A 95 -69.611 2.605 -8.101 1.00 49.71 C ATOM 876 CG TRP A 95 -70.963 2.513 -8.708 1.00 52.81 C ATOM 877 CD1 TRP A 95 -71.848 1.486 -8.583 1.00 47.78 C ATOM 878 CD2 TRP A 95 -71.590 3.485 -9.550 1.00 61.61 C ATOM 879 NE1 TRP A 95 -72.994 1.758 -9.291 1.00 61.22 N ATOM 880 CE2 TRP A 95 -72.860 2.979 -9.895 1.00 48.06 C ATOM 881 CE3 TRP A 95 -71.203 4.734 -10.046 1.00 56.98 C ATOM 882 CZ2 TRP A 95 -73.746 3.678 -10.711 1.00 67.47 C ATOM 883 CZ3 TRP A 95 -72.083 5.428 -10.858 1.00 63.81 C ATOM 884 CH2 TRP A 95 -73.341 4.897 -11.184 1.00 47.38 C ATOM 885 HE1 TRP A 95 -73.826 1.138 -9.357 1.00 0.00 H ATOM 886 H TRP A 95 -67.188 2.479 -7.324 1.00 0.00 H ATOM 887 N ILE A 96 -67.815 4.196 -10.111 1.00 50.09 N ATOM 888 CA ILE A 96 -67.660 5.105 -11.241 1.00 51.30 C ATOM 889 C ILE A 96 -66.867 4.441 -12.358 1.00 54.57 C ATOM 890 O ILE A 96 -67.180 4.601 -13.543 1.00 71.65 O ATOM 891 CB ILE A 96 -67.001 6.415 -10.776 1.00 53.39 C ATOM 892 CG1 ILE A 96 -67.957 7.168 -9.850 1.00 51.80 C ATOM 893 CG2 ILE A 96 -66.604 7.272 -11.968 1.00 48.42 C ATOM 894 CD1 ILE A 96 -67.321 8.319 -9.130 1.00 44.72 C ATOM 895 H ILE A 96 -67.465 4.480 -9.174 1.00 0.00 H ATOM 896 N ARG A 97 -65.842 3.669 -11.999 1.00 54.34 N ATOM 897 CA ARG A 97 -65.042 2.986 -13.010 1.00 66.81 C ATOM 898 C ARG A 97 -65.876 2.006 -13.820 1.00 69.92 C ATOM 899 O ARG A 97 -65.767 1.953 -15.051 1.00 82.53 O ATOM 900 CB ARG A 97 -63.893 2.249 -12.341 1.00 50.89 C ATOM 901 CG ARG A 97 -62.862 3.137 -11.785 1.00 48.29 C ATOM 902 CD ARG A 97 -61.515 2.730 -12.314 1.00 91.34 C ATOM 903 NE ARG A 97 -60.482 3.527 -11.678 1.00 86.55 N ATOM 904 CZ ARG A 97 -60.218 3.500 -10.378 1.00105.37 C ATOM 905 NH1 ARG A 97 -60.884 2.681 -9.575 1.00 87.86 N ATOM 906 NH2 ARG A 97 -59.275 4.287 -9.884 1.00101.57 N ATOM 907 HE ARG A 97 -59.914 4.158 -12.278 1.00 0.00 H ATOM 908 HH12 ARG A 97 -60.672 2.665 -8.557 1.00 0.00 H ATOM 909 HH11 ARG A 97 -61.618 2.055 -9.963 1.00 0.00 H ATOM 910 HH22 ARG A 97 -59.064 4.270 -8.866 1.00 0.00 H ATOM 911 HH21 ARG A 97 -58.745 4.922 -10.514 1.00 0.00 H ATOM 912 H ARG A 97 -65.611 3.553 -10.992 1.00 0.00 H ATOM 913 N ASP A 98 -66.709 1.215 -13.145 1.00 51.12 N ATOM 914 CA ASP A 98 -67.423 0.140 -13.818 1.00 84.05 C ATOM 915 C ASP A 98 -68.695 0.609 -14.516 1.00 60.08 C ATOM 916 O ASP A 98 -69.197 -0.100 -15.397 1.00100.79 O ATOM 917 CB ASP A 98 -67.737 -0.986 -12.821 1.00 54.93 C ATOM 918 CG ASP A 98 -66.487 -1.502 -12.106 1.00 68.64 C ATOM 919 OD1 ASP A 98 -65.425 -1.593 -12.763 1.00 81.84 O ATOM 920 OD2 ASP A 98 -66.549 -1.779 -10.889 1.00 76.85 O ATOM 921 H ASP A 98 -66.851 1.367 -12.126 1.00 0.00 H ATOM 922 N ASN A 99 -69.204 1.795 -14.178 1.00 67.62 N ATOM 923 CA ASN A 99 -70.456 2.281 -14.737 1.00 58.56 C ATOM 924 C ASN A 99 -70.340 3.579 -15.522 1.00 63.99 C ATOM 925 O ASN A 99 -71.227 3.864 -16.332 1.00 66.09 O ATOM 926 CB ASN A 99 -71.495 2.481 -13.625 1.00 71.60 C ATOM 927 CG ASN A 99 -71.866 1.188 -12.942 1.00 54.39 C ATOM 928 OD1 ASN A 99 -71.233 0.784 -11.965 1.00 73.85 O ATOM 929 ND2 ASN A 99 -72.892 0.526 -13.456 1.00 79.43 N ATOM 930 HD22 ASN A 99 -73.396 0.907 -14.282 1.00 0.00 H ATOM 931 HD21 ASN A 99 -73.194 -0.375 -13.033 1.00 0.00 H ATOM 932 H ASN A 99 -68.691 2.389 -13.495 1.00 0.00 H ATOM 933 N LEU A 100 -69.306 4.382 -15.294 1.00 61.96 N ATOM 934 CA LEU A 100 -69.098 5.568 -16.114 1.00 58.83 C ATOM 935 C LEU A 100 -67.787 5.414 -16.860 1.00 65.21 C ATOM 936 O LEU A 100 -67.245 4.311 -16.931 1.00 59.67 O ATOM 937 CB LEU A 100 -69.110 6.841 -15.267 1.00 54.07 C ATOM 938 CG LEU A 100 -70.351 7.014 -14.391 1.00 66.07 C ATOM 939 CD1 LEU A 100 -70.212 8.216 -13.466 1.00 53.44 C ATOM 940 CD2 LEU A 100 -71.590 7.143 -15.256 1.00 51.25 C ATOM 941 H LEU A 100 -68.641 4.162 -14.525 1.00 0.00 H ATOM 942 N ASN A 101 -67.258 6.498 -17.408 1.00 52.93 N ATOM 943 CA ASN A 101 -66.057 6.437 -18.233 1.00 70.08 C ATOM 944 C ASN A 101 -65.038 7.453 -17.743 1.00 59.16 C ATOM 945 O ASN A 101 -64.846 8.509 -18.358 1.00 63.51 O ATOM 946 CB ASN A 101 -66.422 6.665 -19.696 1.00 52.49 C ATOM 947 CG ASN A 101 -67.442 5.659 -20.194 1.00 75.60 C ATOM 948 OD1 ASN A 101 -68.607 5.994 -20.415 1.00 83.55 O ATOM 949 ND2 ASN A 101 -67.015 4.411 -20.341 1.00 56.94 N ATOM 950 HD22 ASN A 101 -66.022 4.174 -20.143 1.00 0.00 H ATOM 951 HD21 ASN A 101 -67.674 3.670 -20.655 1.00 0.00 H ATOM 952 H ASN A 101 -67.712 7.419 -17.245 1.00 0.00 H ATOM 953 N PRO A 102 -64.364 7.167 -16.627 1.00 68.08 N ATOM 954 CA PRO A 102 -63.325 8.084 -16.152 1.00 64.92 C ATOM 955 C PRO A 102 -62.268 8.293 -17.218 1.00 58.34 C ATOM 956 O PRO A 102 -62.051 7.440 -18.082 1.00 80.85 O ATOM 957 CB PRO A 102 -62.723 7.370 -14.930 1.00 56.73 C ATOM 958 CG PRO A 102 -63.481 6.095 -14.773 1.00 64.10 C ATOM 959 CD PRO A 102 -64.724 6.196 -15.587 1.00 62.19 C ATOM 960 N ILE A 103 -61.621 9.454 -17.167 1.00 79.28 N ATOM 961 CA ILE A 103 -60.467 9.682 -18.020 1.00 59.60 C ATOM 962 C ILE A 103 -59.212 9.203 -17.301 1.00 61.51 C ATOM 963 O ILE A 103 -59.195 9.010 -16.081 1.00 95.09 O ATOM 964 CB ILE A 103 -60.350 11.162 -18.433 1.00 62.67 C ATOM 965 CG1 ILE A 103 -60.179 12.064 -17.209 1.00 70.59 C ATOM 966 CG2 ILE A 103 -61.538 11.591 -19.277 1.00 68.49 C ATOM 967 CD1 ILE A 103 -58.762 12.555 -16.998 1.00 52.07 C ATOM 968 H ILE A 103 -61.941 10.199 -16.516 1.00 0.00 H ATOM 969 N GLU A 104 -58.154 8.994 -18.078 1.00 69.50 N ATOM 970 CA GLU A 104 -56.858 8.573 -17.567 1.00 70.14 C ATOM 971 C GLU A 104 -55.855 9.688 -17.821 1.00 60.20 C ATOM 972 O GLU A 104 -55.691 10.130 -18.962 1.00 90.42 O ATOM 973 CB GLU A 104 -56.395 7.272 -18.231 1.00 58.47 C ATOM 974 H GLU A 104 -58.258 9.139 -19.103 1.00 0.00 H ATOM 975 N ASP A 105 -55.197 10.147 -16.756 1.00 85.92 N ATOM 976 CA ASP A 105 -54.311 11.305 -16.852 1.00 61.99 C ATOM 977 C ASP A 105 -53.235 11.169 -15.782 1.00 67.46 C ATOM 978 O ASP A 105 -53.535 11.235 -14.585 1.00 70.46 O ATOM 979 CB ASP A 105 -55.098 12.601 -16.694 1.00 64.46 C ATOM 980 CG ASP A 105 -54.301 13.825 -17.097 1.00 72.67 C ATOM 981 OD1 ASP A 105 -53.117 13.929 -16.717 1.00 80.15 O ATOM 982 OD2 ASP A 105 -54.855 14.679 -17.818 1.00 78.08 O ATOM 983 H ASP A 105 -55.317 9.671 -15.839 1.00 0.00 H ATOM 984 N LYS A 106 -51.989 10.991 -16.223 1.00 84.12 N ATOM 985 CA LYS A 106 -50.891 10.749 -15.297 1.00 71.30 C ATOM 986 C LYS A 106 -50.648 11.937 -14.375 1.00 74.34 C ATOM 987 O LYS A 106 -50.158 11.759 -13.254 1.00 85.00 O ATOM 988 CB LYS A 106 -49.624 10.413 -16.088 1.00 92.40 C ATOM 989 CG LYS A 106 -49.425 11.302 -17.313 1.00119.71 C ATOM 990 CD LYS A 106 -48.081 11.078 -17.996 1.00104.06 C ATOM 991 CE LYS A 106 -48.008 9.716 -18.670 1.00119.64 C ATOM 992 NZ LYS A 106 -47.060 9.728 -19.820 1.00108.74 N ATOM 993 HZ1 LYS A 106 -47.377 10.427 -20.522 1.00 0.00 H ATOM 994 HZ2 LYS A 106 -46.110 9.981 -19.482 1.00 0.00 H ATOM 995 HZ3 LYS A 106 -47.034 8.784 -20.256 1.00 0.00 H ATOM 996 H LYS A 106 -51.798 11.026 -17.245 1.00 0.00 H ATOM 997 N ARG A 107 -50.997 13.151 -14.813 1.00 71.85 N ATOM 998 CA ARG A 107 -50.569 14.346 -14.093 1.00 74.00 C ATOM 999 C ARG A 107 -51.441 14.682 -12.890 1.00 70.13 C ATOM 1000 O ARG A 107 -50.966 15.374 -11.984 1.00 73.14 O ATOM 1001 CB ARG A 107 -50.535 15.559 -15.027 1.00 71.81 C ATOM 1002 CG ARG A 107 -50.206 15.241 -16.474 1.00 92.67 C ATOM 1003 CD ARG A 107 -50.452 16.460 -17.341 1.00 75.17 C ATOM 1004 NE ARG A 107 -51.881 16.696 -17.460 1.00 77.97 N ATOM 1005 CZ ARG A 107 -52.414 17.659 -18.196 1.00 78.76 C ATOM 1006 NH1 ARG A 107 -51.628 18.480 -18.882 1.00 80.73 N ATOM 1007 NH2 ARG A 107 -53.732 17.804 -18.242 1.00 58.29 N ATOM 1008 HE ARG A 107 -52.524 16.070 -16.935 1.00 0.00 H ATOM 1009 HH12 ARG A 107 -52.045 19.237 -19.461 1.00 0.00 H ATOM 1010 HH11 ARG A 107 -50.595 18.366 -18.841 1.00 0.00 H ATOM 1011 HH22 ARG A 107 -54.152 18.560 -18.820 1.00 0.00 H ATOM 1012 HH21 ARG A 107 -54.345 17.162 -17.700 1.00 0.00 H ATOM 1013 H ARG A 107 -51.577 13.244 -15.671 1.00 0.00 H ATOM 1014 N VAL A 108 -52.695 14.237 -12.851 1.00 71.76 N ATOM 1015 CA VAL A 108 -53.615 14.650 -11.798 1.00 86.10 C ATOM 1016 C VAL A 108 -54.000 13.448 -10.949 1.00 54.90 C ATOM 1017 O VAL A 108 -54.189 12.337 -11.459 1.00 76.74 O ATOM 1018 CB VAL A 108 -54.871 15.352 -12.360 1.00 50.78 C ATOM 1019 CG1 VAL A 108 -54.476 16.595 -13.144 1.00 54.39 C ATOM 1020 CG2 VAL A 108 -55.692 14.404 -13.231 1.00 59.25 C ATOM 1021 H VAL A 108 -53.025 13.581 -13.587 1.00 0.00 H ATOM 1022 N ALA A 109 -54.101 13.682 -9.645 1.00 63.76 N ATOM 1023 CA ALA A 109 -54.581 12.697 -8.695 1.00 64.94 C ATOM 1024 C ALA A 109 -56.100 12.596 -8.760 1.00 58.87 C ATOM 1025 O ALA A 109 -56.793 13.492 -9.247 1.00 66.81 O ATOM 1026 CB ALA A 109 -54.145 13.063 -7.276 1.00 48.76 C ATOM 1027 H ALA A 109 -53.822 14.618 -9.288 1.00 0.00 H ATOM 1028 N GLY A 110 -56.617 11.485 -8.260 1.00 50.88 N ATOM 1029 CA GLY A 110 -58.047 11.293 -8.201 1.00 51.45 C ATOM 1030 C GLY A 110 -58.647 10.836 -9.517 1.00 53.56 C ATOM 1031 O GLY A 110 -57.984 10.683 -10.544 1.00 63.54 O ATOM 1032 H GLY A 110 -55.985 10.740 -7.905 1.00 0.00 H ATOM 1033 N LEU A 111 -59.953 10.624 -9.466 1.00 57.15 N ATOM 1034 CA LEU A 111 -60.722 10.076 -10.572 1.00 57.79 C ATOM 1035 C LEU A 111 -61.492 11.207 -11.242 1.00 53.25 C ATOM 1036 O LEU A 111 -62.297 11.884 -10.594 1.00 57.80 O ATOM 1037 CB LEU A 111 -61.667 8.984 -10.068 1.00 48.18 C ATOM 1038 CG LEU A 111 -62.121 7.935 -11.081 1.00 70.83 C ATOM 1039 CD1 LEU A 111 -60.935 7.090 -11.531 1.00 90.52 C ATOM 1040 CD2 LEU A 111 -63.185 7.056 -10.454 1.00 61.37 C ATOM 1041 H LEU A 111 -60.456 10.862 -8.588 1.00 0.00 H ATOM 1042 N TRP A 112 -61.243 11.407 -12.534 1.00 58.49 N ATOM 1043 CA TRP A 112 -61.863 12.478 -13.304 1.00 41.30 C ATOM 1044 C TRP A 112 -62.756 11.871 -14.370 1.00 59.89 C ATOM 1045 O TRP A 112 -62.485 10.791 -14.894 1.00 64.99 O ATOM 1046 CB TRP A 112 -60.798 13.394 -13.944 1.00 40.66 C ATOM 1047 CG TRP A 112 -59.946 14.100 -12.931 1.00 42.92 C ATOM 1048 CD1 TRP A 112 -59.092 13.522 -12.027 1.00 48.95 C ATOM 1049 CD2 TRP A 112 -59.859 15.513 -12.712 1.00 60.96 C ATOM 1050 NE1 TRP A 112 -58.489 14.486 -11.258 1.00 58.46 N ATOM 1051 CE2 TRP A 112 -58.941 15.716 -11.658 1.00 49.88 C ATOM 1052 CE3 TRP A 112 -60.465 16.626 -13.301 1.00 42.75 C ATOM 1053 CZ2 TRP A 112 -58.618 16.983 -11.187 1.00 48.57 C ATOM 1054 CZ3 TRP A 112 -60.146 17.883 -12.827 1.00 54.11 C ATOM 1055 CH2 TRP A 112 -59.231 18.052 -11.782 1.00 54.69 C ATOM 1056 HE1 TRP A 112 -57.802 14.311 -10.497 1.00 0.00 H ATOM 1057 H TRP A 112 -60.576 10.771 -13.016 1.00 0.00 H ATOM 1058 N VAL A 113 -63.862 12.568 -14.687 1.00 44.94 N ATOM 1059 CA VAL A 113 -64.857 12.028 -15.593 1.00 56.00 C ATOM 1060 C VAL A 113 -65.321 13.114 -16.558 1.00 53.75 C ATOM 1061 O VAL A 113 -65.212 14.317 -16.259 1.00 57.52 O ATOM 1062 CB VAL A 113 -66.075 11.434 -14.842 1.00 58.78 C ATOM 1063 CG1 VAL A 113 -65.641 10.319 -13.895 1.00 48.52 C ATOM 1064 CG2 VAL A 113 -66.815 12.513 -14.082 1.00 47.76 C ATOM 1065 H VAL A 113 -64.006 13.512 -14.275 1.00 0.00 H ATOM 1066 N PRO A 114 -65.821 12.726 -17.722 1.00 60.73 N ATOM 1067 CA PRO A 114 -66.291 13.707 -18.707 1.00 51.99 C ATOM 1068 C PRO A 114 -67.533 14.433 -18.216 1.00 55.78 C ATOM 1069 O PRO A 114 -68.226 13.946 -17.312 1.00 48.62 O ATOM 1070 CB PRO A 114 -66.597 12.850 -19.947 1.00 60.19 C ATOM 1071 CG PRO A 114 -66.674 11.456 -19.456 1.00 50.34 C ATOM 1072 CD PRO A 114 -65.752 11.374 -18.295 1.00 59.21 C ATOM 1073 N PRO A 115 -67.848 15.596 -18.808 1.00 63.01 N ATOM 1074 CA PRO A 115 -68.959 16.419 -18.284 1.00 45.67 C ATOM 1075 C PRO A 115 -70.268 15.675 -18.063 1.00 59.01 C ATOM 1076 O PRO A 115 -70.869 15.802 -16.987 1.00 60.96 O ATOM 1077 CB PRO A 115 -69.108 17.510 -19.355 1.00 48.51 C ATOM 1078 CG PRO A 115 -67.786 17.601 -19.998 1.00 61.77 C ATOM 1079 CD PRO A 115 -67.151 16.248 -19.931 1.00 52.43 C ATOM 1080 N ALA A 116 -70.740 14.916 -19.057 1.00 44.84 N ATOM 1081 CA ALA A 116 -72.032 14.247 -18.919 1.00 59.30 C ATOM 1082 C ALA A 116 -72.020 13.229 -17.785 1.00 59.48 C ATOM 1083 O ALA A 116 -73.039 13.044 -17.108 1.00 60.22 O ATOM 1084 CB ALA A 116 -72.427 13.580 -20.235 1.00 48.10 C ATOM 1085 H ALA A 116 -70.187 14.801 -19.930 1.00 0.00 H ATOM 1086 N ASP A 117 -70.885 12.566 -17.558 1.00 51.30 N ATOM 1087 CA ASP A 117 -70.772 11.683 -16.402 1.00 64.33 C ATOM 1088 C ASP A 117 -70.875 12.476 -15.107 1.00 52.35 C ATOM 1089 O ASP A 117 -71.568 12.069 -14.166 1.00 47.72 O ATOM 1090 CB ASP A 117 -69.456 10.904 -16.457 1.00 58.40 C ATOM 1091 CG ASP A 117 -69.501 9.753 -17.445 1.00 63.04 C ATOM 1092 OD1 ASP A 117 -70.607 9.431 -17.926 1.00 71.99 O ATOM 1093 OD2 ASP A 117 -68.437 9.165 -17.733 1.00 61.66 O ATOM 1094 H ASP A 117 -70.079 12.679 -18.206 1.00 0.00 H ATOM 1095 N ALA A 118 -70.202 13.627 -15.052 1.00 47.23 N ATOM 1096 CA ALA A 118 -70.224 14.445 -13.845 1.00 51.05 C ATOM 1097 C ALA A 118 -71.634 14.923 -13.522 1.00 60.96 C ATOM 1098 O ALA A 118 -72.027 14.966 -12.351 1.00 54.17 O ATOM 1099 CB ALA A 118 -69.276 15.632 -14.003 1.00 55.11 C ATOM 1100 H ALA A 118 -69.656 13.944 -15.879 1.00 0.00 H ATOM 1101 N LEU A 119 -72.413 15.283 -14.546 1.00 54.92 N ATOM 1102 CA LEU A 119 -73.787 15.710 -14.299 1.00 60.75 C ATOM 1103 C LEU A 119 -74.663 14.547 -13.860 1.00 55.97 C ATOM 1104 O LEU A 119 -75.617 14.743 -13.095 1.00 53.20 O ATOM 1105 CB LEU A 119 -74.371 16.375 -15.543 1.00 50.35 C ATOM 1106 CG LEU A 119 -73.890 17.818 -15.710 1.00 66.69 C ATOM 1107 CD1 LEU A 119 -74.021 18.257 -17.148 1.00 43.21 C ATOM 1108 CD2 LEU A 119 -74.644 18.754 -14.780 1.00 50.04 C ATOM 1109 H LEU A 119 -72.041 15.259 -15.517 1.00 0.00 H ATOM 1110 N ALA A 120 -74.358 13.335 -14.326 1.00 48.27 N ATOM 1111 CA ALA A 120 -75.039 12.155 -13.809 1.00 49.47 C ATOM 1112 C ALA A 120 -74.741 11.967 -12.325 1.00 79.46 C ATOM 1113 O ALA A 120 -75.648 11.702 -11.526 1.00 53.35 O ATOM 1114 CB ALA A 120 -74.626 10.922 -14.609 1.00 48.43 C ATOM 1115 H ALA A 120 -73.631 13.232 -15.062 1.00 0.00 H ATOM 1116 N LEU A 121 -73.465 12.106 -11.939 1.00 44.85 N ATOM 1117 CA LEU A 121 -73.107 12.043 -10.525 1.00 58.22 C ATOM 1118 C LEU A 121 -73.754 13.175 -9.743 1.00 70.94 C ATOM 1119 O LEU A 121 -74.188 12.980 -8.601 1.00 52.39 O ATOM 1120 CB LEU A 121 -71.589 12.099 -10.356 1.00 43.24 C ATOM 1121 CG LEU A 121 -70.752 10.854 -10.630 1.00 65.55 C ATOM 1122 CD1 LEU A 121 -69.286 11.166 -10.398 1.00 59.08 C ATOM 1123 CD2 LEU A 121 -71.206 9.719 -9.740 1.00 46.74 C ATOM 1124 H LEU A 121 -72.724 12.260 -12.652 1.00 0.00 H ATOM 1125 N ALA A 122 -73.816 14.371 -10.340 1.00 47.47 N ATOM 1126 CA ALA A 122 -74.378 15.526 -9.646 1.00 44.70 C ATOM 1127 C ALA A 122 -75.821 15.274 -9.235 1.00 58.26 C ATOM 1128 O ALA A 122 -76.250 15.702 -8.158 1.00 59.89 O ATOM 1129 CB ALA A 122 -74.284 16.769 -10.528 1.00 44.53 C ATOM 1130 H ALA A 122 -73.459 14.479 -11.311 1.00 0.00 H ATOM 1131 N LYS A 123 -76.585 14.579 -10.081 1.00 48.07 N ATOM 1132 CA LYS A 123 -77.936 14.186 -9.697 1.00 70.53 C ATOM 1133 C LYS A 123 -77.912 13.265 -8.483 1.00 53.77 C ATOM 1134 O LYS A 123 -78.739 13.402 -7.574 1.00 61.86 O ATOM 1135 CB LYS A 123 -78.642 13.507 -10.872 1.00 50.97 C ATOM 1136 CG LYS A 123 -80.094 13.915 -11.028 1.00 70.37 C ATOM 1137 CD LYS A 123 -80.898 12.879 -11.800 1.00 99.10 C ATOM 1138 CE LYS A 123 -82.349 12.848 -11.330 1.00 93.51 C ATOM 1139 NZ LYS A 123 -83.059 11.595 -11.724 1.00104.71 N ATOM 1140 HZ1 LYS A 123 -83.059 11.509 -12.760 1.00 0.00 H ATOM 1141 HZ2 LYS A 123 -82.572 10.776 -11.307 1.00 0.00 H ATOM 1142 HZ3 LYS A 123 -84.039 11.630 -11.378 1.00 0.00 H ATOM 1143 H LYS A 123 -76.215 14.317 -11.017 1.00 0.00 H ATOM 1144 N ASP A 124 -76.964 12.324 -8.447 1.00 61.07 N ATOM 1145 CA ASP A 124 -76.866 11.398 -7.322 1.00 56.97 C ATOM 1146 C ASP A 124 -76.421 12.108 -6.048 1.00 57.36 C ATOM 1147 O ASP A 124 -76.867 11.762 -4.948 1.00 58.98 O ATOM 1148 CB ASP A 124 -75.897 10.266 -7.662 1.00 62.33 C ATOM 1149 CG ASP A 124 -76.374 9.413 -8.824 1.00 78.52 C ATOM 1150 OD1 ASP A 124 -77.599 9.347 -9.066 1.00 83.21 O ATOM 1151 OD2 ASP A 124 -75.516 8.803 -9.496 1.00 64.89 O ATOM 1152 H ASP A 124 -76.286 12.250 -9.232 1.00 0.00 H ATOM 1153 N TYR A 125 -75.538 13.096 -6.175 1.00 50.09 N ATOM 1154 CA TYR A 125 -74.988 13.810 -5.030 1.00 56.16 C ATOM 1155 C TYR A 125 -75.766 15.082 -4.708 1.00 61.58 C ATOM 1156 O TYR A 125 -75.401 15.790 -3.763 1.00 56.92 O ATOM 1157 CB TYR A 125 -73.510 14.160 -5.277 1.00 47.17 C ATOM 1158 CG TYR A 125 -72.577 12.989 -5.560 1.00 46.98 C ATOM 1159 CD1 TYR A 125 -73.021 11.663 -5.501 1.00 49.43 C ATOM 1160 CD2 TYR A 125 -71.243 13.221 -5.897 1.00 57.59 C ATOM 1161 CE1 TYR A 125 -72.159 10.610 -5.769 1.00 57.83 C ATOM 1162 CE2 TYR A 125 -70.378 12.178 -6.163 1.00 50.07 C ATOM 1163 CZ TYR A 125 -70.837 10.880 -6.100 1.00 52.85 C ATOM 1164 OH TYR A 125 -69.955 9.862 -6.374 1.00 59.21 O ATOM 1165 HH TYR A 125 -70.421 8.992 -6.291 1.00 0.00 H ATOM 1166 H TYR A 125 -75.228 13.369 -7.129 1.00 0.00 H ATOM 1167 N SER A 126 -76.816 15.386 -5.475 1.00 56.70 N ATOM 1168 CA SER A 126 -77.621 16.595 -5.284 1.00 65.06 C ATOM 1169 C SER A 126 -76.775 17.856 -5.472 1.00 50.72 C ATOM 1170 O SER A 126 -76.921 18.840 -4.747 1.00 63.14 O ATOM 1171 CB SER A 126 -78.310 16.587 -3.916 1.00 52.51 C ATOM 1172 OG SER A 126 -79.479 17.386 -3.921 1.00 87.74 O ATOM 1173 HG SER A 126 -79.238 18.319 -4.147 1.00 0.00 H ATOM 1174 H SER A 126 -77.074 14.734 -6.243 1.00 0.00 H ATOM 1175 N MET A 127 -75.899 17.831 -6.480 1.00 61.57 N ATOM 1176 CA MET A 127 -74.959 18.913 -6.752 1.00 45.25 C ATOM 1177 C MET A 127 -75.178 19.565 -8.115 1.00 62.93 C ATOM 1178 O MET A 127 -74.320 20.334 -8.570 1.00 53.38 O ATOM 1179 CB MET A 127 -73.523 18.390 -6.664 1.00 56.65 C ATOM 1180 CG MET A 127 -73.092 17.944 -5.273 1.00 57.02 C ATOM 1181 SD MET A 127 -71.440 17.216 -5.308 1.00 58.68 S ATOM 1182 CE MET A 127 -70.446 18.620 -5.820 1.00 55.91 C ATOM 1183 H MET A 127 -75.886 16.998 -7.103 1.00 0.00 H ATOM 1184 N THR A 128 -76.306 19.294 -8.768 1.00 50.00 N ATOM 1185 CA THR A 128 -76.505 19.743 -10.147 1.00 49.79 C ATOM 1186 C THR A 128 -76.300 21.244 -10.345 1.00 58.48 C ATOM 1187 O THR A 128 -75.624 21.619 -11.321 1.00 52.06 O ATOM 1188 CB THR A 128 -77.898 19.303 -10.631 1.00 65.29 C ATOM 1189 OG1 THR A 128 -77.934 17.872 -10.748 1.00 53.85 O ATOM 1190 CG2 THR A 128 -78.225 19.907 -11.971 1.00 45.29 C ATOM 1191 HG1 THR A 128 -77.249 17.578 -11.400 1.00 0.00 H ATOM 1192 H THR A 128 -77.057 18.755 -8.291 1.00 0.00 H ATOM 1193 N PRO A 129 -76.819 22.137 -9.492 1.00 50.62 N ATOM 1194 CA PRO A 129 -76.509 23.561 -9.689 1.00 54.54 C ATOM 1195 C PRO A 129 -75.020 23.842 -9.692 1.00 62.54 C ATOM 1196 O PRO A 129 -74.555 24.705 -10.449 1.00 62.30 O ATOM 1197 CB PRO A 129 -77.198 24.260 -8.503 1.00 59.75 C ATOM 1198 CG PRO A 129 -78.047 23.272 -7.861 1.00 52.22 C ATOM 1199 CD PRO A 129 -77.881 21.940 -8.491 1.00 47.49 C ATOM 1200 N PHE A 130 -74.249 23.117 -8.884 1.00 45.53 N ATOM 1201 CA PHE A 130 -72.838 23.447 -8.725 1.00 52.14 C ATOM 1202 C PHE A 130 -72.002 22.945 -9.896 1.00 50.65 C ATOM 1203 O PHE A 130 -71.076 23.634 -10.338 1.00 59.50 O ATOM 1204 CB PHE A 130 -72.330 22.891 -7.394 1.00 45.17 C ATOM 1205 CG PHE A 130 -72.942 23.566 -6.204 1.00 44.91 C ATOM 1206 CD1 PHE A 130 -74.188 23.175 -5.739 1.00 50.01 C ATOM 1207 CD2 PHE A 130 -72.288 24.610 -5.566 1.00 51.55 C ATOM 1208 CE1 PHE A 130 -74.769 23.805 -4.652 1.00 51.64 C ATOM 1209 CE2 PHE A 130 -72.866 25.249 -4.473 1.00 47.73 C ATOM 1210 CZ PHE A 130 -74.108 24.844 -4.018 1.00 47.24 C ATOM 1211 H PHE A 130 -74.655 22.313 -8.365 1.00 0.00 H ATOM 1212 N ILE A 131 -72.321 21.764 -10.424 1.00 48.85 N ATOM 1213 CA ILE A 131 -71.612 21.278 -11.601 1.00 53.60 C ATOM 1214 C ILE A 131 -72.006 22.085 -12.832 1.00 65.06 C ATOM 1215 O ILE A 131 -71.161 22.399 -13.679 1.00 47.07 O ATOM 1216 CB ILE A 131 -71.871 19.773 -11.795 1.00 51.82 C ATOM 1217 CG1 ILE A 131 -71.347 18.988 -10.592 1.00 42.97 C ATOM 1218 CG2 ILE A 131 -71.220 19.283 -13.073 1.00 49.06 C ATOM 1219 CD1 ILE A 131 -69.949 19.406 -10.146 1.00 39.96 C ATOM 1220 H ILE A 131 -73.075 21.189 -9.997 1.00 0.00 H ATOM 1221 N ASN A 132 -73.290 22.436 -12.952 1.00 39.20 N ATOM 1222 CA ASN A 132 -73.722 23.278 -14.067 1.00 49.76 C ATOM 1223 C ASN A 132 -72.971 24.602 -14.078 1.00 48.44 C ATOM 1224 O ASN A 132 -72.491 25.047 -15.128 1.00 61.39 O ATOM 1225 CB ASN A 132 -75.229 23.530 -13.996 1.00 45.80 C ATOM 1226 CG ASN A 132 -76.039 22.416 -14.622 1.00 43.22 C ATOM 1227 OD1 ASN A 132 -75.641 21.836 -15.628 1.00 72.60 O ATOM 1228 ND2 ASN A 132 -77.186 22.118 -14.033 1.00 74.50 N ATOM 1229 HD22 ASN A 132 -77.483 22.636 -13.182 1.00 0.00 H ATOM 1230 HD21 ASN A 132 -77.790 21.366 -14.421 1.00 0.00 H ATOM 1231 H ASN A 132 -73.984 22.109 -12.250 1.00 0.00 H ATOM 1232 N ALA A 133 -72.860 25.247 -12.916 1.00 53.44 N ATOM 1233 CA ALA A 133 -72.121 26.500 -12.838 1.00 58.47 C ATOM 1234 C ALA A 133 -70.651 26.291 -13.171 1.00 49.10 C ATOM 1235 O ALA A 133 -70.049 27.099 -13.888 1.00 47.31 O ATOM 1236 CB ALA A 133 -72.279 27.113 -11.449 1.00 40.54 C ATOM 1237 H ALA A 133 -73.303 24.854 -12.061 1.00 0.00 H ATOM 1238 N LEU A 134 -70.058 25.206 -12.666 1.00 48.46 N ATOM 1239 CA LEU A 134 -68.657 24.921 -12.955 1.00 43.22 C ATOM 1240 C LEU A 134 -68.426 24.723 -14.450 1.00 61.09 C ATOM 1241 O LEU A 134 -67.434 25.210 -15.003 1.00 44.62 O ATOM 1242 CB LEU A 134 -68.208 23.687 -12.176 1.00 45.86 C ATOM 1243 CG LEU A 134 -66.728 23.324 -12.258 1.00 63.87 C ATOM 1244 CD1 LEU A 134 -65.872 24.450 -11.700 1.00 36.97 C ATOM 1245 CD2 LEU A 134 -66.471 22.021 -11.518 1.00 38.87 C ATOM 1246 H LEU A 134 -70.601 24.558 -12.060 1.00 0.00 H ATOM 1247 N LEU A 135 -69.343 24.021 -15.124 1.00 38.57 N ATOM 1248 CA LEU A 135 -69.169 23.728 -16.544 1.00 66.77 C ATOM 1249 C LEU A 135 -69.412 24.951 -17.414 1.00 41.64 C ATOM 1250 O LEU A 135 -68.779 25.096 -18.466 1.00 59.64 O ATOM 1251 CB LEU A 135 -70.107 22.598 -16.975 1.00 40.20 C ATOM 1252 CG LEU A 135 -69.654 21.188 -16.600 1.00 52.88 C ATOM 1253 CD1 LEU A 135 -70.802 20.200 -16.732 1.00 52.02 C ATOM 1254 CD2 LEU A 135 -68.466 20.771 -17.454 1.00 42.80 C ATOM 1255 H LEU A 135 -70.192 23.679 -14.630 1.00 0.00 H ATOM 1256 N GLU A 136 -70.331 25.823 -17.008 1.00 54.61 N ATOM 1257 CA GLU A 136 -70.666 27.009 -17.779 1.00 44.67 C ATOM 1258 C GLU A 136 -69.709 28.165 -17.516 1.00 52.61 C ATOM 1259 O GLU A 136 -69.684 29.124 -18.296 1.00 48.99 O ATOM 1260 CB GLU A 136 -72.111 27.420 -17.473 1.00 45.58 C ATOM 1261 CG GLU A 136 -72.683 28.534 -18.341 1.00 64.82 C ATOM 1262 CD GLU A 136 -74.204 28.555 -18.311 1.00100.68 C ATOM 1263 OE1 GLU A 136 -74.806 27.493 -18.042 1.00 86.40 O ATOM 1264 OE2 GLU A 136 -74.799 29.629 -18.550 1.00 91.03 O ATOM 1265 H GLU A 136 -70.826 25.651 -16.110 1.00 0.00 H ATOM 1266 N ALA A 137 -68.908 28.084 -16.458 1.00 50.50 N ATOM 1267 CA ALA A 137 -67.960 29.143 -16.149 1.00 57.79 C ATOM 1268 C ALA A 137 -66.933 29.292 -17.267 1.00 45.98 C ATOM 1269 O ALA A 137 -66.578 28.329 -17.953 1.00 71.40 O ATOM 1270 CB ALA A 137 -67.253 28.850 -14.826 1.00 55.30 C ATOM 1271 H ALA A 137 -68.960 27.249 -15.840 1.00 0.00 H ATOM 1272 N SER A 138 -66.455 30.517 -17.449 1.00 63.87 N ATOM 1273 CA SER A 138 -65.420 30.775 -18.435 1.00 62.25 C ATOM 1274 C SER A 138 -64.047 30.416 -17.883 1.00 68.54 C ATOM 1275 O SER A 138 -63.786 30.528 -16.683 1.00 86.96 O ATOM 1276 CB SER A 138 -65.433 32.243 -18.861 1.00 68.04 C ATOM 1277 OG SER A 138 -64.315 32.543 -19.676 1.00101.52 O ATOM 1278 HG SER A 138 -64.346 33.497 -19.938 1.00 0.00 H ATOM 1279 H SER A 138 -66.827 31.303 -16.878 1.00 0.00 H ATOM 1280 N SER A 139 -63.167 29.981 -18.779 1.00 99.12 N ATOM 1281 CA SER A 139 -61.763 29.773 -18.461 1.00 69.56 C ATOM 1282 C SER A 139 -60.926 31.030 -18.667 1.00 99.40 C ATOM 1283 O SER A 139 -59.700 30.980 -18.515 1.00 87.77 O ATOM 1284 CB SER A 139 -61.197 28.633 -19.307 1.00 56.82 C ATOM 1285 OG SER A 139 -59.791 28.751 -19.419 1.00111.12 O ATOM 1286 HG SER A 139 -59.567 29.614 -19.849 1.00 0.00 H ATOM 1287 H SER A 139 -63.495 29.781 -19.745 1.00 0.00 H ATOM 1288 N THR A 140 -61.557 32.151 -19.001 1.00 98.52 N ATOM 1289 CA THR A 140 -60.835 33.347 -19.409 1.00108.71 C ATOM 1290 C THR A 140 -61.597 34.628 -19.067 1.00115.04 C ATOM 1291 O THR A 140 -62.817 34.700 -19.224 1.00 97.89 O ATOM 1292 CB THR A 140 -60.551 33.316 -20.919 1.00103.41 C ATOM 1293 OG1 THR A 140 -61.713 32.857 -21.620 1.00107.17 O ATOM 1294 CG2 THR A 140 -59.380 32.400 -21.238 1.00 92.53 C ATOM 1295 HG1 THR A 140 -62.469 33.470 -21.440 1.00 0.00 H ATOM 1296 H THR A 140 -62.596 32.174 -18.970 1.00 0.00 H TER 1297 THR A 140 HETATM 1298 O HOH 1 -65.772 12.961 2.618 1.00 64.21 O HETATM 1299 O HOH 2 -77.444 17.003 -12.679 1.00 59.32 O HETATM 1300 O HOH 3 -69.628 5.092 -1.242 1.00 51.70 O HETATM 1301 O HOH 4 -63.426 10.414 1.891 1.00 70.89 O HETATM 1302 O HOH 5 -73.192 9.574 -18.698 1.00 71.31 O HETATM 1303 O HOH 6 -71.038 3.687 -3.556 1.00 67.66 O HETATM 1304 O HOH 7 -52.749 26.568 -19.414 1.00 79.26 O HETATM 1305 O HOH 8 -63.740 0.000 0.000 1.00 46.39 O HETATM 1306 O HOH 9 -59.412 16.546 -0.867 1.00 71.43 O HETATM 1307 O HOH 10 -77.974 9.934 -12.403 1.00 72.85 O HETATM 1308 O HOH 11 -69.887 27.979 -0.636 1.00 70.23 O HETATM 1309 O HOH 12 -78.092 30.241 -17.701 1.00 67.87 O HETATM 1310 O HOH 13 -51.704 29.181 -20.275 1.00 76.87 O HETATM 1311 O HOH 14 -51.046 27.059 -10.018 1.00 53.67 O HETATM 1312 O HOH 15 -50.344 29.367 -8.252 1.00 56.58 O HETATM 1313 N GLY A 16 -55.743 37.685 -2.224 1.00 0.24 N HETATM 1314 CA GLY A 16 -57.048 37.260 -1.757 1.00 0.05 C HETATM 1315 C GLY A 16 -57.361 35.857 -2.226 1.00 0.23 C HETATM 1316 O GLY A 16 -57.131 34.894 -1.491 1.00 -0.39 O HETATM 1317 N GLY A 16 -57.907 35.732 -3.439 1.00 -0.25 N HETATM 1318 CA GLY A 16 -57.992 34.413 -4.079 1.00 0.13 C HETATM 1319 C GLY A 16 -56.646 33.701 -4.215 1.00 0.20 C HETATM 1320 O GLY A 16 -56.641 32.491 -4.481 1.00 -0.39 O HETATM 1321 N GLY A 16 -55.511 34.391 -4.045 1.00 -0.26 N HETATM 1322 CA GLY A 16 -54.222 33.704 -4.110 1.00 0.13 C HETATM 1323 C GLY A 16 -53.974 32.823 -2.892 1.00 0.20 C HETATM 1324 O GLY A 16 -53.131 31.919 -2.957 1.00 -0.39 O HETATM 1325 N GLY A 16 -54.690 33.068 -1.790 1.00 -0.26 N HETATM 1326 CA GLY A 16 -54.523 32.261 -0.586 1.00 0.15 C HETATM 1327 C GLY A 16 -54.788 30.781 -0.855 1.00 0.21 C HETATM 1328 O GLY A 16 -54.152 29.914 -0.245 1.00 -0.39 O HETATM 1329 N GLY A 16 -55.705 30.476 -1.773 1.00 -0.26 N HETATM 1330 CA GLY A 16 -56.104 29.107 -2.075 1.00 0.14 C HETATM 1331 C GLY A 16 -55.395 28.512 -3.287 1.00 0.21 C HETATM 1332 O GLY A 16 -55.697 27.372 -3.658 1.00 -0.39 O HETATM 1333 N GLY A 16 -54.485 29.254 -3.923 1.00 -0.26 N HETATM 1334 CA GLY A 16 -53.761 28.714 -5.072 1.00 0.15 C HETATM 1335 C GLY A 16 -52.985 27.454 -4.704 1.00 0.21 C HETATM 1336 O GLY A 16 -53.023 26.456 -5.434 1.00 -0.39 O HETATM 1337 N GLY A 16 -52.278 27.479 -3.571 1.00 -0.26 N HETATM 1338 CA GLY A 16 -51.383 26.373 -3.244 1.00 0.13 C HETATM 1339 C GLY A 16 -52.153 25.098 -2.918 1.00 0.20 C HETATM 1340 O GLY A 16 -51.813 24.021 -3.424 1.00 -0.39 O HETATM 1341 N GLY A 16 -53.203 25.193 -2.098 1.00 -0.26 N HETATM 1342 CA GLY A 16 -53.913 23.978 -1.712 1.00 0.13 C HETATM 1343 C GLY A 16 -54.709 23.409 -2.878 1.00 0.20 C HETATM 1344 O GLY A 16 -54.863 22.188 -2.989 1.00 -0.39 O HETATM 1345 N GLY A 16 -55.208 24.268 -3.767 1.00 -0.26 N HETATM 1346 CA GLY A 16 -55.859 23.757 -4.964 1.00 0.14 C HETATM 1347 C GLY A 16 -54.878 22.962 -5.812 1.00 0.21 C HETATM 1348 O GLY A 16 -55.180 21.848 -6.254 1.00 -0.39 O HETATM 1349 N GLY A 16 -53.692 23.522 -6.047 1.00 -0.26 N HETATM 1350 CA GLY A 16 -52.717 22.841 -6.889 1.00 0.13 C HETATM 1351 C GLY A 16 -52.252 21.530 -6.264 1.00 0.20 C HETATM 1352 O GLY A 16 -52.019 20.554 -6.984 1.00 -0.39 O HETATM 1353 N GLY A 16 -52.129 21.477 -4.935 1.00 -0.26 N HETATM 1354 CA GLY A 16 -51.711 20.237 -4.288 1.00 0.15 C HETATM 1355 C GLY A 16 -52.812 19.188 -4.307 1.00 0.21 C HETATM 1356 O GLY A 16 -52.518 17.988 -4.361 1.00 -0.39 O HETATM 1357 N GLY A 16 -54.076 19.611 -4.242 1.00 -0.26 N HETATM 1358 CA GLY A 16 -55.177 18.665 -4.383 1.00 0.13 C HETATM 1359 C GLY A 16 -55.219 18.116 -5.802 1.00 0.20 C HETATM 1360 O GLY A 16 -55.472 16.925 -6.015 1.00 -0.39 O HETATM 1361 N GLY A 16 -54.971 18.971 -6.794 1.00 -0.26 N HETATM 1362 CA GLY A 16 -54.974 18.518 -8.182 1.00 0.13 C HETATM 1363 C GLY A 16 -53.888 17.473 -8.398 1.00 0.20 C HETATM 1364 O GLY A 16 -54.129 16.411 -8.984 1.00 -0.39 O HETATM 1365 N GLY A 16 -52.681 17.743 -7.901 1.00 -0.26 N HETATM 1366 CA GLY A 16 -51.543 16.906 -8.264 1.00 0.13 C HETATM 1367 C GLY A 16 -51.377 15.703 -7.342 1.00 0.20 C HETATM 1368 O GLY A 16 -50.949 14.635 -7.795 1.00 -0.39 O HETATM 1369 N GLY A 16 -51.713 15.846 -6.058 1.00 -0.26 N HETATM 1370 CA GLY A 16 -51.507 14.776 -5.093 1.00 0.15 C HETATM 1371 C GLY A 16 -52.764 14.350 -4.348 1.00 0.21 C HETATM 1372 O GLY A 16 -52.693 13.408 -3.548 1.00 -0.39 O HETATM 1373 N GLY A 16 -53.905 14.997 -4.585 1.00 -0.27 N HETATM 1374 CA GLY A 16 -55.146 14.597 -3.951 1.00 0.12 C HETATM 1375 C GLY A 16 -55.318 15.056 -2.524 1.00 0.20 C HETATM 1376 O GLY A 16 -56.260 14.608 -1.858 1.00 -0.39 O HETATM 1377 N GLY A 16 -54.439 15.926 -2.034 1.00 -0.27 N HETATM 1378 CA GLY A 16 -54.525 16.470 -0.683 1.00 0.10 C HETATM 1379 C GLY A 16 -53.483 17.569 -0.486 1.00 0.06 C HETATM 1380 O GLY A 16 -53.796 18.661 -0.013 1.00 -0.57 O HETATM 1381 OXT GLY A 16 -52.306 17.388 -0.796 1.00 -0.57 O HETATM 1382 CB GLY A 16 -54.336 15.369 0.366 1.00 0.01 C HETATM 1383 CG GLY A 16 -53.056 14.608 0.218 1.00 -0.00 C HETATM 1384 ND1 GLY A 16 -51.846 15.090 0.670 1.00 -0.33 N HETATM 1385 CE1 GLY A 16 -50.897 14.211 0.400 1.00 0.09 C HETATM 1386 NE2 GLY A 16 -51.447 13.178 -0.212 1.00 -0.28 N HETATM 1387 CD2 GLY A 16 -52.796 13.402 -0.339 1.00 0.03 C HETATM 1388 H116 GLY A 16 -53.521 12.734 -0.801 1.00 0.07 H HETATM 1389 H118 GLY A 16 -50.946 12.340 -0.541 1.00 0.24 H HETATM 1390 H117 GLY A 16 -49.841 14.320 0.641 1.00 0.12 H HETATM 1391 H114 GLY A 16 -55.173 14.660 0.280 1.00 0.04 H HETATM 1392 H115 GLY A 16 -54.350 15.834 1.363 1.00 0.04 H HETATM 1393 H113 GLY A 16 -55.525 16.909 -0.549 1.00 0.07 H HETATM 1394 H112 GLY A 16 -53.684 16.221 -2.619 1.00 0.19 H HETATM 1395 H110 GLY A 16 -55.195 13.498 -3.963 1.00 0.08 H HETATM 1396 H111 GLY A 16 -55.978 15.007 -4.543 1.00 0.08 H HETATM 1397 H109 GLY A 16 -53.905 15.775 -5.213 1.00 0.19 H HETATM 1398 CB GLY A 16 -50.430 15.184 -4.077 1.00 0.08 C HETATM 1399 CG GLY A 16 -49.156 15.673 -4.750 1.00 0.18 C HETATM 1400 OD1 GLY A 16 -48.692 16.784 -4.499 1.00 -0.40 O HETATM 1401 ND2 GLY A 16 -48.603 14.848 -5.640 1.00 -0.30 N HETATM 1402 H107 GLY A 16 -47.764 15.114 -6.115 1.00 0.18 H HETATM 1403 H108 GLY A 16 -49.027 13.963 -5.832 1.00 0.18 H HETATM 1404 H105 GLY A 16 -50.187 14.313 -3.450 1.00 0.06 H HETATM 1405 H106 GLY A 16 -50.828 15.991 -3.445 1.00 0.06 H HETATM 1406 H104 GLY A 16 -51.142 13.900 -5.650 1.00 0.08 H HETATM 1407 H103 GLY A 16 -52.116 16.709 -5.752 1.00 0.19 H HETATM 1408 CB GLY A 16 -50.261 17.737 -8.295 1.00 -0.01 C HETATM 1409 CG GLY A 16 -50.420 19.025 -9.067 1.00 -0.04 C HETATM 1410 CD GLY A 16 -49.241 19.298 -9.984 1.00 -0.01 C HETATM 1411 CE GLY A 16 -48.117 19.992 -9.254 1.00 -0.04 C HETATM 1412 NZ GLY A 16 -47.473 21.019 -10.127 1.00 0.22 N HETATM 1413 H100 GLY A 16 -46.727 21.470 -9.621 1.00 0.20 H HETATM 1414 H101 GLY A 16 -48.158 21.707 -10.398 1.00 0.20 H HETATM 1415 H102 GLY A 16 -47.100 20.574 -10.951 1.00 0.20 H HETATM 1416 H98 GLY A 16 -47.364 19.247 -8.958 1.00 0.08 H HETATM 1417 H99 GLY A 16 -48.519 20.483 -8.356 1.00 0.08 H HETATM 1418 H96 GLY A 16 -49.575 19.937 -10.814 1.00 0.03 H HETATM 1419 H97 GLY A 16 -48.871 18.342 -10.383 1.00 0.03 H HETATM 1420 H94 GLY A 16 -50.512 19.856 -8.353 1.00 0.03 H HETATM 1421 H95 GLY A 16 -51.334 18.962 -9.676 1.00 0.03 H HETATM 1422 H92 GLY A 16 -49.466 17.140 -8.766 1.00 0.03 H HETATM 1423 H93 GLY A 16 -49.974 17.980 -7.261 1.00 0.03 H HETATM 1424 H91 GLY A 16 -51.724 16.523 -9.279 1.00 0.08 H HETATM 1425 H90 GLY A 16 -52.556 18.517 -7.281 1.00 0.19 H HETATM 1426 CB GLY A 16 -54.809 19.714 -9.137 1.00 -0.01 C HETATM 1427 CG1 GLY A 16 -54.597 19.233 -10.554 1.00 -0.06 C HETATM 1428 H84 GLY A 16 -54.481 20.099 -11.222 1.00 0.02 H HETATM 1429 H85 GLY A 16 -55.465 18.638 -10.873 1.00 0.02 H HETATM 1430 H86 GLY A 16 -53.690 18.612 -10.599 1.00 0.02 H HETATM 1431 CG2 GLY A 16 -56.036 20.613 -9.072 1.00 -0.06 C HETATM 1432 H87 GLY A 16 -56.183 20.959 -8.038 1.00 0.02 H HETATM 1433 H88 GLY A 16 -56.922 20.049 -9.399 1.00 0.02 H HETATM 1434 H89 GLY A 16 -55.890 21.481 -9.731 1.00 0.02 H HETATM 1435 H83 GLY A 16 -53.928 20.294 -8.825 1.00 0.03 H HETATM 1436 H82 GLY A 16 -55.946 18.048 -8.390 1.00 0.08 H HETATM 1437 H81 GLY A 16 -54.781 19.930 -6.586 1.00 0.19 H HETATM 1438 CB GLY A 16 -56.510 19.329 -3.990 1.00 -0.01 C HETATM 1439 CG1 GLY A 16 -57.678 18.475 -4.442 1.00 -0.06 C HETATM 1440 H75 GLY A 16 -58.621 18.962 -4.154 1.00 0.02 H HETATM 1441 H76 GLY A 16 -57.616 17.486 -3.965 1.00 0.02 H HETATM 1442 H77 GLY A 16 -57.645 18.357 -5.535 1.00 0.02 H HETATM 1443 CG2 GLY A 16 -56.574 19.540 -2.493 1.00 -0.06 C HETATM 1444 H78 GLY A 16 -55.724 20.160 -2.174 1.00 0.02 H HETATM 1445 H79 GLY A 16 -56.530 18.566 -1.983 1.00 0.02 H HETATM 1446 H80 GLY A 16 -57.515 20.047 -2.234 1.00 0.02 H HETATM 1447 H74 GLY A 16 -56.575 20.308 -4.487 1.00 0.03 H HETATM 1448 H73 GLY A 16 -55.000 17.824 -3.697 1.00 0.08 H HETATM 1449 H72 GLY A 16 -54.269 20.581 -4.096 1.00 0.19 H HETATM 1450 CB GLY A 16 -51.268 20.497 -2.848 1.00 0.08 C HETATM 1451 CG GLY A 16 -49.931 21.211 -2.766 1.00 0.18 C HETATM 1452 OD1 GLY A 16 -49.665 21.939 -1.812 1.00 -0.40 O HETATM 1453 ND2 GLY A 16 -49.088 21.015 -3.778 1.00 -0.30 N HETATM 1454 H70 GLY A 16 -48.193 21.461 -3.776 1.00 0.18 H HETATM 1455 H71 GLY A 16 -49.350 20.422 -4.540 1.00 0.18 H HETATM 1456 H68 GLY A 16 -51.184 19.532 -2.326 1.00 0.06 H HETATM 1457 H69 GLY A 16 -52.029 21.117 -2.352 1.00 0.06 H HETATM 1458 H67 GLY A 16 -50.851 19.839 -4.846 1.00 0.08 H HETATM 1459 H66 GLY A 16 -52.324 22.288 -4.383 1.00 0.19 H HETATM 1460 CB GLY A 16 -51.533 23.769 -7.164 1.00 -0.00 C HETATM 1461 CG GLY A 16 -50.306 23.083 -7.736 1.00 0.00 C HETATM 1462 CD GLY A 16 -49.372 24.054 -8.436 1.00 0.04 C HETATM 1463 OE1 GLY A 16 -49.870 25.033 -9.032 1.00 -0.57 O HETATM 1464 OE2 GLY A 16 -48.141 23.853 -8.377 1.00 -0.57 O HETATM 1465 H64 GLY A 16 -50.632 22.323 -8.461 1.00 0.04 H HETATM 1466 H65 GLY A 16 -49.759 22.596 -6.915 1.00 0.04 H HETATM 1467 H62 GLY A 16 -51.246 24.248 -6.216 1.00 0.03 H HETATM 1468 H63 GLY A 16 -51.860 24.538 -7.880 1.00 0.03 H HETATM 1469 H61 GLY A 16 -53.200 22.605 -7.849 1.00 0.08 H HETATM 1470 H60 GLY A 16 -53.471 24.411 -5.645 1.00 0.19 H HETATM 1471 CB GLY A 16 -56.462 24.894 -5.785 1.00 0.02 C HETATM 1472 CG GLY A 16 -57.070 24.426 -7.075 1.00 -0.04 C HETATM 1473 CD1 GLY A 16 -58.255 23.705 -7.069 1.00 -0.06 C HETATM 1474 CE1 GLY A 16 -58.819 23.257 -8.250 1.00 -0.07 C HETATM 1475 CZ GLY A 16 -58.193 23.509 -9.461 1.00 -0.07 C HETATM 1476 CE2 GLY A 16 -57.005 24.218 -9.483 1.00 -0.07 C HETATM 1477 CD2 GLY A 16 -56.445 24.670 -8.289 1.00 -0.06 C HETATM 1478 H56 GLY A 16 -55.510 25.218 -8.310 1.00 0.06 H HETATM 1479 H58 GLY A 16 -56.511 24.422 -10.426 1.00 0.06 H HETATM 1480 H59 GLY A 16 -58.632 23.152 -10.386 1.00 0.06 H HETATM 1481 H57 GLY A 16 -59.753 22.707 -8.229 1.00 0.06 H HETATM 1482 H55 GLY A 16 -58.745 23.490 -6.127 1.00 0.06 H HETATM 1483 H53 GLY A 16 -55.668 25.620 -6.014 1.00 0.05 H HETATM 1484 H54 GLY A 16 -57.244 25.383 -5.186 1.00 0.05 H HETATM 1485 H52 GLY A 16 -56.673 23.085 -4.653 1.00 0.08 H HETATM 1486 H51 GLY A 16 -55.136 25.253 -3.613 1.00 0.19 H HETATM 1487 CB GLY A 16 -54.814 24.226 -0.499 1.00 -0.00 C HETATM 1488 CG GLY A 16 -56.160 24.881 -0.739 1.00 0.00 C HETATM 1489 CD GLY A 16 -56.665 25.574 0.518 1.00 0.04 C HETATM 1490 OE1 GLY A 16 -57.424 24.937 1.283 1.00 -0.57 O HETATM 1491 OE2 GLY A 16 -56.297 26.748 0.748 1.00 -0.57 O HETATM 1492 H49 GLY A 16 -56.885 24.111 -1.040 1.00 0.04 H HETATM 1493 H50 GLY A 16 -56.059 25.625 -1.543 1.00 0.04 H HETATM 1494 H47 GLY A 16 -54.256 24.869 0.198 1.00 0.03 H HETATM 1495 H48 GLY A 16 -55.004 23.251 -0.026 1.00 0.03 H HETATM 1496 H46 GLY A 16 -53.161 23.229 -1.423 1.00 0.08 H HETATM 1497 H45 GLY A 16 -53.498 26.084 -1.754 1.00 0.19 H HETATM 1498 CB GLY A 16 -50.455 26.768 -2.093 1.00 -0.00 C HETATM 1499 CG GLY A 16 -49.176 27.461 -2.547 1.00 0.00 C HETATM 1500 CD GLY A 16 -48.116 26.475 -3.003 1.00 0.04 C HETATM 1501 OE1 GLY A 16 -47.933 25.446 -2.318 1.00 -0.57 O HETATM 1502 OE2 GLY A 16 -47.476 26.720 -4.048 1.00 -0.57 O HETATM 1503 H43 GLY A 16 -48.775 28.048 -1.708 1.00 0.04 H HETATM 1504 H44 GLY A 16 -49.416 28.134 -3.384 1.00 0.04 H HETATM 1505 H41 GLY A 16 -50.179 25.857 -1.541 1.00 0.03 H HETATM 1506 H42 GLY A 16 -51.001 27.450 -1.425 1.00 0.03 H HETATM 1507 H40 GLY A 16 -50.761 26.170 -4.128 1.00 0.08 H HETATM 1508 H39 GLY A 16 -52.362 28.256 -2.947 1.00 0.19 H HETATM 1509 CB GLY A 16 -52.810 29.769 -5.638 1.00 0.08 C HETATM 1510 CG GLY A 16 -53.481 30.696 -6.630 1.00 0.18 C HETATM 1511 OD1 GLY A 16 -54.654 31.047 -6.487 1.00 -0.40 O HETATM 1512 ND2 GLY A 16 -52.739 31.082 -7.660 1.00 -0.30 N HETATM 1513 H37 GLY A 16 -53.123 31.694 -8.351 1.00 0.18 H HETATM 1514 H38 GLY A 16 -51.796 30.761 -7.745 1.00 0.18 H HETATM 1515 H35 GLY A 16 -51.978 29.257 -6.144 1.00 0.06 H HETATM 1516 H36 GLY A 16 -52.418 30.371 -4.805 1.00 0.06 H HETATM 1517 H34 GLY A 16 -54.495 28.452 -5.849 1.00 0.08 H HETATM 1518 H33 GLY A 16 -54.298 30.185 -3.611 1.00 0.19 H HETATM 1519 CB GLY A 16 -57.620 29.026 -2.304 1.00 0.04 C HETATM 1520 CG GLY A 16 -58.426 29.634 -1.170 1.00 0.04 C HETATM 1521 OD1 GLY A 16 -58.344 29.120 -0.025 1.00 -0.57 O HETATM 1522 OD2 GLY A 16 -59.181 30.593 -1.437 1.00 -0.57 O HETATM 1523 H31 GLY A 16 -57.903 27.968 -2.407 1.00 0.05 H HETATM 1524 H32 GLY A 16 -57.863 29.562 -3.233 1.00 0.05 H HETATM 1525 H30 GLY A 16 -55.851 28.489 -1.201 1.00 0.08 H HETATM 1526 H29 GLY A 16 -56.140 31.221 -2.278 1.00 0.19 H HETATM 1527 CB GLY A 16 -55.453 32.782 0.514 1.00 0.08 C HETATM 1528 OG GLY A 16 -56.706 33.179 -0.029 1.00 -0.39 O HETATM 1529 H28 GLY A 16 -56.569 33.870 -0.667 1.00 0.21 H HETATM 1530 H26 GLY A 16 -54.982 33.647 1.004 1.00 0.06 H HETATM 1531 H27 GLY A 16 -55.617 31.985 1.254 1.00 0.06 H HETATM 1532 H25 GLY A 16 -53.483 32.365 -0.243 1.00 0.08 H HETATM 1533 H24 GLY A 16 -55.352 33.818 -1.791 1.00 0.19 H HETATM 1534 CB GLY A 16 -53.085 34.716 -4.240 1.00 -0.01 C HETATM 1535 CG GLY A 16 -52.982 35.456 -5.575 1.00 -0.04 C HETATM 1536 CD1 GLY A 16 -51.544 35.852 -5.865 1.00 -0.06 C HETATM 1537 H18 GLY A 16 -51.497 36.381 -6.828 1.00 0.02 H HETATM 1538 H19 GLY A 16 -50.917 34.949 -5.912 1.00 0.02 H HETATM 1539 H20 GLY A 16 -51.177 36.512 -5.065 1.00 0.02 H HETATM 1540 CD2 GLY A 16 -53.553 34.631 -6.719 1.00 -0.06 C HETATM 1541 H21 GLY A 16 -54.593 34.355 -6.489 1.00 0.02 H HETATM 1542 H22 GLY A 16 -52.952 33.719 -6.849 1.00 0.02 H HETATM 1543 H23 GLY A 16 -53.527 35.222 -7.646 1.00 0.02 H HETATM 1544 H17 GLY A 16 -53.578 36.377 -5.495 1.00 0.03 H HETATM 1545 H15 GLY A 16 -52.139 34.178 -4.082 1.00 0.03 H HETATM 1546 H16 GLY A 16 -53.215 35.469 -3.449 1.00 0.03 H HETATM 1547 H14 GLY A 16 -54.224 33.062 -5.003 1.00 0.08 H HETATM 1548 H13 GLY A 16 -55.545 35.376 -3.874 1.00 0.19 H HETATM 1549 CB GLY A 16 -58.590 34.723 -5.460 1.00 -0.01 C HETATM 1550 CG GLY A 16 -59.279 36.044 -5.316 1.00 -0.03 C HETATM 1551 CD GLY A 16 -58.868 36.677 -4.011 1.00 0.04 C HETATM 1552 H11 GLY A 16 -58.397 37.656 -4.184 1.00 0.05 H HETATM 1553 H12 GLY A 16 -59.736 36.800 -3.347 1.00 0.05 H HETATM 1554 H9 GLY A 16 -60.369 35.894 -5.325 1.00 0.03 H HETATM 1555 H10 GLY A 16 -58.993 36.701 -6.150 1.00 0.03 H HETATM 1556 H7 GLY A 16 -59.311 33.944 -5.749 1.00 0.03 H HETATM 1557 H8 GLY A 16 -57.794 34.786 -6.217 1.00 0.03 H HETATM 1558 H6 GLY A 16 -58.670 33.764 -3.505 1.00 0.08 H HETATM 1559 H4 GLY A 16 -57.812 37.949 -2.148 1.00 0.11 H HETATM 1560 H5 GLY A 16 -57.062 37.283 -0.657 1.00 0.11 H HETATM 1561 H1 GLY A 16 -55.558 38.621 -1.899 1.00 0.20 H HETATM 1562 H2 GLY A 16 -55.725 37.670 -3.232 1.00 0.20 H HETATM 1563 H3 GLY A 16 -55.038 37.060 -1.866 1.00 0.20 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 1313 1314 1561 1562 1563 CONECT 1314 1313 1315 1559 1560 CONECT 1315 1314 1316 1317 CONECT 1316 1315 CONECT 1317 1315 1318 1551 CONECT 1318 1317 1319 1549 1558 CONECT 1319 1318 1320 1321 CONECT 1320 1319 CONECT 1321 1319 1322 1548 CONECT 1322 1321 1323 1534 1547 CONECT 1323 1322 1324 1325 CONECT 1324 1323 CONECT 1325 1323 1326 1533 CONECT 1326 1325 1327 1527 1532 CONECT 1327 1326 1328 1329 CONECT 1328 1327 CONECT 1329 1327 1330 1526 CONECT 1330 1329 1331 1519 1525 CONECT 1331 1330 1332 1333 CONECT 1332 1331 CONECT 1333 1331 1334 1518 CONECT 1334 1333 1335 1509 1517 CONECT 1335 1334 1336 1337 CONECT 1336 1335 CONECT 1337 1335 1338 1508 CONECT 1338 1337 1339 1498 1507 CONECT 1339 1338 1340 1341 CONECT 1340 1339 CONECT 1341 1339 1342 1497 CONECT 1342 1341 1343 1487 1496 CONECT 1343 1342 1344 1345 CONECT 1344 1343 CONECT 1345 1343 1346 1486 CONECT 1346 1345 1347 1471 1485 CONECT 1347 1346 1348 1349 CONECT 1348 1347 CONECT 1349 1347 1350 1470 CONECT 1350 1349 1351 1460 1469 CONECT 1351 1350 1352 1353 CONECT 1352 1351 CONECT 1353 1351 1354 1459 CONECT 1354 1353 1355 1450 1458 CONECT 1355 1354 1356 1357 CONECT 1356 1355 CONECT 1357 1355 1358 1449 CONECT 1358 1357 1359 1438 1448 CONECT 1359 1358 1360 1361 CONECT 1360 1359 CONECT 1361 1359 1362 1437 CONECT 1362 1361 1363 1426 1436 CONECT 1363 1362 1364 1365 CONECT 1364 1363 CONECT 1365 1363 1366 1425 CONECT 1366 1365 1367 1408 1424 CONECT 1367 1366 1368 1369 CONECT 1368 1367 CONECT 1369 1367 1370 1407 CONECT 1370 1369 1371 1398 1406 CONECT 1371 1370 1372 1373 CONECT 1372 1371 CONECT 1373 1371 1374 1397 CONECT 1374 1373 1375 1395 1396 CONECT 1375 1374 1376 1377 CONECT 1376 1375 CONECT 1377 1375 1378 1394 CONECT 1378 1377 1379 1382 1393 CONECT 1379 1378 1380 1381 CONECT 1380 1379 CONECT 1381 1379 CONECT 1382 1378 1383 1391 1392 CONECT 1383 1382 1384 1387 CONECT 1384 1383 1385 CONECT 1385 1384 1386 1390 CONECT 1386 1385 1387 1389 CONECT 1387 1383 1386 1388 CONECT 1388 1387 CONECT 1389 1386 CONECT 1390 1385 CONECT 1391 1382 CONECT 1392 1382 CONECT 1393 1378 CONECT 1394 1377 CONECT 1395 1374 CONECT 1396 1374 CONECT 1397 1373 CONECT 1398 1370 1399 1404 1405 CONECT 1399 1398 1400 1401 CONECT 1400 1399 CONECT 1401 1399 1402 1403 CONECT 1402 1401 CONECT 1403 1401 CONECT 1404 1398 CONECT 1405 1398 CONECT 1406 1370 CONECT 1407 1369 CONECT 1408 1366 1409 1422 1423 CONECT 1409 1408 1410 1420 1421 CONECT 1410 1409 1411 1418 1419 CONECT 1411 1410 1412 1416 1417 CONECT 1412 1411 1413 1414 1415 CONECT 1413 1412 CONECT 1414 1412 CONECT 1415 1412 CONECT 1416 1411 CONECT 1417 1411 CONECT 1418 1410 CONECT 1419 1410 CONECT 1420 1409 CONECT 1421 1409 CONECT 1422 1408 CONECT 1423 1408 CONECT 1424 1366 CONECT 1425 1365 CONECT 1426 1362 1427 1431 1435 CONECT 1427 1426 1428 1429 1430 CONECT 1428 1427 CONECT 1429 1427 CONECT 1430 1427 CONECT 1431 1426 1432 1433 1434 CONECT 1432 1431 CONECT 1433 1431 CONECT 1434 1431 CONECT 1435 1426 CONECT 1436 1362 CONECT 1437 1361 CONECT 1438 1358 1439 1443 1447 CONECT 1439 1438 1440 1441 1442 CONECT 1440 1439 CONECT 1441 1439 CONECT 1442 1439 CONECT 1443 1438 1444 1445 1446 CONECT 1444 1443 CONECT 1445 1443 CONECT 1446 1443 CONECT 1447 1438 CONECT 1448 1358 CONECT 1449 1357 CONECT 1450 1354 1451 1456 1457 CONECT 1451 1450 1452 1453 CONECT 1452 1451 CONECT 1453 1451 1454 1455 CONECT 1454 1453 CONECT 1455 1453 CONECT 1456 1450 CONECT 1457 1450 CONECT 1458 1354 CONECT 1459 1353 CONECT 1460 1350 1461 1467 1468 CONECT 1461 1460 1462 1465 1466 CONECT 1462 1461 1463 1464 CONECT 1463 1462 CONECT 1464 1462 CONECT 1465 1461 CONECT 1466 1461 CONECT 1467 1460 CONECT 1468 1460 CONECT 1469 1350 CONECT 1470 1349 CONECT 1471 1346 1472 1483 1484 CONECT 1472 1471 1473 1477 CONECT 1473 1472 1474 1482 CONECT 1474 1473 1475 1481 CONECT 1475 1474 1476 1480 CONECT 1476 1475 1477 1479 CONECT 1477 1472 1476 1478 CONECT 1478 1477 CONECT 1479 1476 CONECT 1480 1475 CONECT 1481 1474 CONECT 1482 1473 CONECT 1483 1471 CONECT 1484 1471 CONECT 1485 1346 CONECT 1486 1345 CONECT 1487 1342 1488 1494 1495 CONECT 1488 1487 1489 1492 1493 CONECT 1489 1488 1490 1491 CONECT 1490 1489 CONECT 1491 1489 CONECT 1492 1488 CONECT 1493 1488 CONECT 1494 1487 CONECT 1495 1487 CONECT 1496 1342 CONECT 1497 1341 CONECT 1498 1338 1499 1505 1506 CONECT 1499 1498 1500 1503 1504 CONECT 1500 1499 1501 1502 CONECT 1501 1500 CONECT 1502 1500 CONECT 1503 1499 CONECT 1504 1499 CONECT 1505 1498 CONECT 1506 1498 CONECT 1507 1338 CONECT 1508 1337 CONECT 1509 1334 1510 1515 1516 CONECT 1510 1509 1511 1512 CONECT 1511 1510 CONECT 1512 1510 1513 1514 CONECT 1513 1512 CONECT 1514 1512 CONECT 1515 1509 CONECT 1516 1509 CONECT 1517 1334 CONECT 1518 1333 CONECT 1519 1330 1520 1523 1524 CONECT 1520 1519 1521 1522 CONECT 1521 1520 CONECT 1522 1520 CONECT 1523 1519 CONECT 1524 1519 CONECT 1525 1330 CONECT 1526 1329 CONECT 1527 1326 1528 1530 1531 CONECT 1528 1527 1529 CONECT 1529 1528 CONECT 1530 1527 CONECT 1531 1527 CONECT 1532 1326 CONECT 1533 1325 CONECT 1534 1322 1535 1545 1546 CONECT 1535 1534 1536 1540 1544 CONECT 1536 1535 1537 1538 1539 CONECT 1537 1536 CONECT 1538 1536 CONECT 1539 1536 CONECT 1540 1535 1541 1542 1543 CONECT 1541 1540 CONECT 1542 1540 CONECT 1543 1540 CONECT 1544 1535 CONECT 1545 1534 CONECT 1546 1534 CONECT 1547 1322 CONECT 1548 1321 CONECT 1549 1318 1550 1556 1557 CONECT 1550 1549 1551 1554 1555 CONECT 1551 1317 1550 1552 1553 CONECT 1552 1551 CONECT 1553 1551 CONECT 1554 1550 CONECT 1555 1550 CONECT 1556 1549 CONECT 1557 1549 CONECT 1558 1318 CONECT 1559 1314 CONECT 1560 1314 CONECT 1561 1313 CONECT 1562 1313 CONECT 1563 1313 MASTER 0 0 0 0 0 0 0 0 1562 1 255 11 END
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Entry Information
PDB ID
6a6w
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bouquet formation protein 4
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=3.7uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nucleic Acids Res. Vol. : pp. -
Ligand Properties
Formula
C
8
0
H
1
2
3
N
2
3
O
3
0
Molecular Weight
1886.970
Exact Mass
1885.880
No. of atoms
256
No. of bonds
258
Polar Surface Area
876.77
LOGP Value
-6.82 (
Computed with XLOGP3
)
-4.22 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 31
No. of Rotatable Bonds: 74
No. of Nitrogen and Oxygen Atoms: 53
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1nc[nH]c1)CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC(C)C)CO)CC(=O)O)CC(=O)N)CCC(=O)O)CCC(=O)O)Cc1ccccc1)CCC(=O)O)CC(=O)N
InChI String
InChI=1S/C80H121N23O30/c1-37(2)25-46(99-77(129)54-16-12-24-103(54)59(109)32-82)71(123)100-53(35-104)76(128)98-51(31-63(116)117)74(126)97-49(29-56(84)106)73(125)92-43(17-20-60(110)111)68(120)90-44(18-21-61(112)113)69(121)94-47(26-40-13-8-7-9-14-40)72(124)91-45(19-22-62(114)115)70(122)96-50(30-57(85)107)75(127)101-65(39(5)6)79(131)102-64(38(3)4)78(130)93-42(15-10-11-23-81)67(119)95-48(28-55(83)105)66(118)87-34-58(108)89-52(80(132)133)27-41-33-86-36-88-41/h7-9,13-14,33,36-39,42-54,64-65,104H,10-12,15-32,34-35,81-82H2,1-6H3,(H2,83,105)(H2,84,106)(H2,85,107)(H,86,88)(H,87,118)(H,89,108)(H,90,120)(H,91,124)(H,92,125)(H,93,130)(H,94,121)(H,95,119)(H,96,122)(H,97,126)(H,98,128)(H,99,129)(H,100,123)(H,101,127)(H,102,131)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,132,133)/p+2/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,64-,65-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
O60158
Q09825
Entrez Gene ID
NCBI Entrez Gene ID:
2540694
2539914
ASD
Information of known allosteric effects of PDB entries
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