Browse entries in the PDBbind-CN Database
HEADER 1CEB_COMPLEX COMPND 1CEB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 80 GLU CYS LYS THR GLY ASN GLY LYS ASN TYR ARG GLY THR SEQRES 2 A 80 MET SER LYS THR LYS ASN GLY ILE THR CYS GLN LYS TRP SEQRES 3 A 80 SER SER THR SER PRO HIS ARG PRO ARG PHE SER PRO ALA SEQRES 4 A 80 THR HIS PRO SER GLU GLY LEU GLU GLU ASN TYR CYS ARG SEQRES 5 A 80 ASN PRO ASP ASN ASP PRO GLN GLY PRO TRP CYS TYR THR SEQRES 6 A 80 THR ASP PRO GLU LYS ARG TYR ASP TYR CYS ASP ILE LEU SEQRES 7 A 80 GLU CYS HET AMH A 162 26 SSBOND 1 CYS A 22 CYS A 62 SSBOND 2 CYS A 50 CYS A 74 SSBOND 3 CYS A 1 CYS A 79 ATOM 1 N GLU A 1A 8.496 3.113 23.006 1.00 31.70 N ATOM 2 CA GLU A 1A 7.459 2.576 23.934 1.00 30.34 C ATOM 3 C GLU A 1A 7.314 3.546 25.098 1.00 28.95 C ATOM 4 O GLU A 1A 8.270 4.353 25.240 1.00 30.14 O ATOM 5 CB GLU A 1A 7.948 1.202 24.431 1.00 31.18 C ATOM 6 CG GLU A 1A 6.817 0.298 24.994 1.00 31.47 C ATOM 7 CD GLU A 1A 5.594 0.748 24.217 1.00 32.40 C ATOM 8 OE1 GLU A 1A 5.901 1.603 23.359 1.00 32.08 O ATOM 9 OE2 GLU A 1A 4.473 0.292 24.538 1.00 34.41 O ATOM 10 HA GLU A 1A 6.492 2.465 23.444 1.00 0.00 H ATOM 11 HB2 GLU A 1A 8.420 0.683 23.597 1.00 0.00 H ATOM 12 HB3 GLU A 1A 8.683 1.363 25.219 1.00 0.00 H ATOM 13 HG2 GLU A 1A 7.031 -0.755 24.812 1.00 0.00 H ATOM 14 HG3 GLU A 1A 6.682 0.460 26.063 1.00 0.00 H ATOM 15 HN3 GLU A 1A 9.400 3.202 23.512 1.00 0.00 H ATOM 16 HN2 GLU A 1A 8.198 4.047 22.659 1.00 0.00 H ATOM 17 HN1 GLU A 1A 8.610 2.463 22.202 1.00 0.00 H ATOM 18 N CYS A 1 6.311 3.419 25.935 1.00 26.73 N ATOM 19 CA CYS A 1 6.184 4.256 27.144 1.00 25.42 C ATOM 20 C CYS A 1 6.136 3.337 28.381 1.00 24.48 C ATOM 21 O CYS A 1 5.752 2.162 28.284 1.00 24.07 O ATOM 22 CB CYS A 1 4.979 5.172 27.172 1.00 23.06 C ATOM 23 SG CYS A 1 3.469 4.380 26.620 1.00 24.91 S ATOM 24 HA CYS A 1 7.055 4.912 27.142 1.00 0.00 H ATOM 25 HB2 CYS A 1 5.178 6.026 26.524 1.00 0.00 H ATOM 26 HB3 CYS A 1 4.833 5.520 28.195 1.00 0.00 H ATOM 27 H CYS A 1 5.581 2.704 25.740 1.00 0.00 H ATOM 28 N LYS A 2 6.322 3.954 29.528 1.00 24.12 N ATOM 29 CA LYS A 2 6.256 3.327 30.858 1.00 22.78 C ATOM 30 C LYS A 2 5.025 3.862 31.613 1.00 23.49 C ATOM 31 O LYS A 2 4.433 4.930 31.394 1.00 21.62 O ATOM 32 CB LYS A 2 7.456 3.611 31.754 1.00 22.52 C ATOM 33 CG LYS A 2 7.149 4.022 33.185 1.00 23.25 C ATOM 34 CD LYS A 2 7.665 5.458 33.466 1.00 25.21 C ATOM 35 CE LYS A 2 8.931 5.470 34.320 1.00 24.60 C ATOM 36 NZ LYS A 2 8.634 5.927 35.696 1.00 24.53 N ATOM 37 HA LYS A 2 6.219 2.255 30.663 1.00 0.00 H ATOM 38 HB2 LYS A 2 8.064 2.707 31.791 1.00 0.00 H ATOM 39 HB3 LYS A 2 8.031 4.415 31.294 1.00 0.00 H ATOM 40 HG2 LYS A 2 6.071 3.992 33.343 1.00 0.00 H ATOM 41 HG3 LYS A 2 7.635 3.327 33.869 1.00 0.00 H ATOM 42 HD2 LYS A 2 7.881 5.944 32.515 1.00 0.00 H ATOM 43 HD3 LYS A 2 6.886 6.013 33.988 1.00 0.00 H ATOM 44 HE2 LYS A 2 9.660 6.144 33.869 1.00 0.00 H ATOM 45 HE3 LYS A 2 9.345 4.462 34.360 1.00 0.00 H ATOM 46 HZ1 LYS A 2 8.242 6.890 35.663 1.00 0.00 H ATOM 47 HZ2 LYS A 2 7.942 5.285 36.132 1.00 0.00 H ATOM 48 HZ3 LYS A 2 9.510 5.927 36.257 1.00 0.00 H ATOM 49 H LYS A 2 6.534 4.972 29.492 1.00 0.00 H ATOM 50 N THR A 3 4.550 2.949 32.469 1.00 22.75 N ATOM 51 CA THR A 3 3.417 3.358 33.340 1.00 21.87 C ATOM 52 C THR A 3 3.876 2.902 34.719 1.00 21.44 C ATOM 53 O THR A 3 4.726 1.988 34.808 1.00 20.40 O ATOM 54 CB THR A 3 2.089 2.861 32.683 1.00 22.29 C ATOM 55 OG1 THR A 3 1.576 1.722 33.428 1.00 23.05 O ATOM 56 CG2 THR A 3 2.320 2.523 31.195 1.00 21.92 C ATOM 57 HA THR A 3 3.165 4.412 33.459 1.00 0.00 H ATOM 58 HB THR A 3 1.341 3.653 32.720 1.00 0.00 H ATOM 59 HG1 THR A 3 0.735 1.408 33.011 1.00 0.00 H ATOM 60 HG23 THR A 3 2.703 3.403 30.679 1.00 0.00 H ATOM 61 HG21 THR A 3 3.043 1.711 31.116 1.00 0.00 H ATOM 62 HG22 THR A 3 1.377 2.217 30.743 1.00 0.00 H ATOM 63 H THR A 3 4.957 1.993 32.522 1.00 0.00 H ATOM 64 N GLY A 4 3.623 3.741 35.707 1.00 21.58 N ATOM 65 CA GLY A 4 4.115 3.511 37.079 1.00 20.99 C ATOM 66 C GLY A 4 5.663 3.545 37.012 1.00 20.92 C ATOM 67 O GLY A 4 6.287 4.478 36.489 1.00 20.07 O ATOM 68 HA3 GLY A 4 3.776 2.541 37.442 1.00 0.00 H ATOM 69 HA2 GLY A 4 3.751 4.294 37.745 1.00 0.00 H ATOM 70 H GLY A 4 3.058 4.592 35.512 1.00 0.00 H ATOM 71 N ASN A 5 6.250 2.498 37.552 1.00 21.05 N ATOM 72 CA ASN A 5 7.686 2.307 37.674 1.00 21.20 C ATOM 73 C ASN A 5 8.254 1.645 36.406 1.00 19.30 C ATOM 74 O ASN A 5 9.493 1.638 36.254 1.00 17.36 O ATOM 75 CB ASN A 5 8.077 1.543 38.958 1.00 26.36 C ATOM 76 CG ASN A 5 8.044 0.023 38.803 1.00 29.93 C ATOM 77 OD1 ASN A 5 9.068 -0.692 38.922 1.00 31.20 O ATOM 78 ND2 ASN A 5 6.820 -0.505 38.582 1.00 30.20 N ATOM 79 HA ASN A 5 8.140 3.293 37.769 1.00 0.00 H ATOM 80 HB2 ASN A 5 9.087 1.838 39.240 1.00 0.00 H ATOM 81 HB3 ASN A 5 7.383 1.823 39.750 1.00 0.00 H ATOM 82 HD22 ASN A 5 5.993 0.119 38.489 1.00 0.00 H ATOM 83 HD21 ASN A 5 6.704 -1.536 38.505 1.00 0.00 H ATOM 84 H ASN A 5 5.636 1.745 37.922 1.00 0.00 H ATOM 85 N GLY A 6 7.302 1.170 35.603 1.00 18.52 N ATOM 86 CA GLY A 6 7.682 0.519 34.341 1.00 17.93 C ATOM 87 C GLY A 6 8.278 -0.901 34.586 1.00 18.15 C ATOM 88 O GLY A 6 9.265 -1.339 33.948 1.00 17.42 O ATOM 89 HA3 GLY A 6 8.427 1.134 33.836 1.00 0.00 H ATOM 90 HA2 GLY A 6 6.798 0.428 33.709 1.00 0.00 H ATOM 91 H GLY A 6 6.300 1.259 35.867 1.00 0.00 H ATOM 92 N LYS A 7 7.566 -1.539 35.514 1.00 17.28 N ATOM 93 CA LYS A 7 7.765 -2.913 35.928 1.00 17.23 C ATOM 94 C LYS A 7 7.471 -3.824 34.716 1.00 17.61 C ATOM 95 O LYS A 7 8.192 -4.787 34.296 1.00 16.85 O ATOM 96 CB LYS A 7 6.784 -3.317 37.041 1.00 15.82 C ATOM 97 CG LYS A 7 7.569 -3.653 38.324 1.00 20.73 C ATOM 98 CD LYS A 7 8.803 -4.499 37.964 1.00 21.70 C ATOM 99 CE LYS A 7 8.801 -5.963 38.366 1.00 20.34 C ATOM 100 NZ LYS A 7 9.957 -6.707 37.803 1.00 22.34 N ATOM 101 HA LYS A 7 8.786 -3.014 36.295 1.00 0.00 H ATOM 102 HB2 LYS A 7 6.100 -2.492 37.239 1.00 0.00 H ATOM 103 HB3 LYS A 7 6.215 -4.191 36.724 1.00 0.00 H ATOM 104 HG2 LYS A 7 7.889 -2.730 38.807 1.00 0.00 H ATOM 105 HG3 LYS A 7 6.929 -4.214 39.005 1.00 0.00 H ATOM 106 HD2 LYS A 7 8.920 -4.459 36.881 1.00 0.00 H ATOM 107 HD3 LYS A 7 9.666 -4.033 38.438 1.00 0.00 H ATOM 108 HE2 LYS A 7 7.880 -6.423 38.008 1.00 0.00 H ATOM 109 HE3 LYS A 7 8.839 -6.028 39.453 1.00 0.00 H ATOM 110 HZ1 LYS A 7 9.926 -6.659 36.765 1.00 0.00 H ATOM 111 HZ2 LYS A 7 10.842 -6.281 38.145 1.00 0.00 H ATOM 112 HZ3 LYS A 7 9.909 -7.701 38.107 1.00 0.00 H ATOM 113 H LYS A 7 6.804 -1.006 35.980 1.00 0.00 H ATOM 114 N ASN A 8 6.449 -3.296 34.058 1.00 15.55 N ATOM 115 CA ASN A 8 5.982 -4.036 32.859 1.00 16.24 C ATOM 116 C ASN A 8 6.433 -3.388 31.555 1.00 15.10 C ATOM 117 O ASN A 8 5.979 -3.821 30.480 1.00 14.28 O ATOM 118 CB ASN A 8 4.502 -4.291 33.100 1.00 18.51 C ATOM 119 CG ASN A 8 4.317 -5.408 34.122 1.00 23.31 C ATOM 120 OD1 ASN A 8 3.414 -5.364 34.981 1.00 26.40 O ATOM 121 ND2 ASN A 8 5.149 -6.463 34.044 1.00 26.91 N ATOM 122 HA ASN A 8 6.449 -5.010 32.716 1.00 0.00 H ATOM 123 HB2 ASN A 8 4.036 -3.380 33.475 1.00 0.00 H ATOM 124 HB3 ASN A 8 4.029 -4.580 32.161 1.00 0.00 H ATOM 125 HD22 ASN A 8 5.897 -6.483 33.321 1.00 0.00 H ATOM 126 HD21 ASN A 8 5.044 -7.258 34.706 1.00 0.00 H ATOM 127 H ASN A 8 5.998 -2.411 34.365 1.00 0.00 H ATOM 128 N TYR A 9 7.405 -2.493 31.644 1.00 15.93 N ATOM 129 CA TYR A 9 7.884 -1.834 30.414 1.00 16.56 C ATOM 130 C TYR A 9 8.669 -2.786 29.485 1.00 17.28 C ATOM 131 O TYR A 9 9.726 -3.292 29.906 1.00 15.22 O ATOM 132 CB TYR A 9 8.806 -0.633 30.744 1.00 15.82 C ATOM 133 CG TYR A 9 9.443 0.037 29.545 1.00 15.94 C ATOM 134 CD1 TYR A 9 8.680 0.771 28.608 1.00 15.87 C ATOM 135 CD2 TYR A 9 10.781 -0.172 29.307 1.00 13.97 C ATOM 136 CE1 TYR A 9 9.295 1.351 27.493 1.00 15.43 C ATOM 137 CE2 TYR A 9 11.414 0.439 28.234 1.00 15.88 C ATOM 138 CZ TYR A 9 10.682 1.282 27.395 1.00 15.89 C ATOM 139 OH TYR A 9 11.359 1.861 26.348 1.00 12.62 O ATOM 140 HA TYR A 9 6.983 -1.501 29.899 1.00 0.00 H ATOM 141 HB3 TYR A 9 9.604 -0.989 31.396 1.00 0.00 H ATOM 142 HB2 TYR A 9 8.213 0.113 31.272 1.00 0.00 H ATOM 143 HD2 TYR A 9 11.351 -0.825 29.968 1.00 0.00 H ATOM 144 HE2 TYR A 9 12.473 0.263 28.048 1.00 0.00 H ATOM 145 HE1 TYR A 9 8.704 1.844 26.721 1.00 0.00 H ATOM 146 HD1 TYR A 9 7.606 0.886 28.755 1.00 0.00 H ATOM 147 HH TYR A 9 10.738 2.432 25.830 1.00 0.00 H ATOM 148 H TYR A 9 7.824 -2.258 32.566 1.00 0.00 H ATOM 149 N ARG A 10 8.216 -2.799 28.234 1.00 17.43 N ATOM 150 CA ARG A 10 8.950 -3.632 27.258 1.00 18.26 C ATOM 151 C ARG A 10 9.309 -2.899 25.958 1.00 17.98 C ATOM 152 O ARG A 10 9.366 -3.443 24.848 1.00 17.91 O ATOM 153 CB ARG A 10 8.240 -4.964 27.026 1.00 21.66 C ATOM 154 CG ARG A 10 8.433 -6.080 28.043 1.00 25.35 C ATOM 155 CD ARG A 10 9.826 -6.295 28.592 1.00 26.65 C ATOM 156 NE ARG A 10 9.929 -5.822 29.992 1.00 30.15 N ATOM 157 CZ ARG A 10 9.186 -6.243 31.034 1.00 29.54 C ATOM 158 NH1 ARG A 10 8.300 -7.257 30.966 1.00 30.33 N ATOM 159 NH2 ARG A 10 9.348 -5.656 32.218 1.00 29.70 N ATOM 160 HA ARG A 10 9.917 -3.856 27.708 1.00 0.00 H ATOM 161 HB2 ARG A 10 7.171 -4.755 26.978 1.00 0.00 H ATOM 162 HB3 ARG A 10 8.578 -5.345 26.062 1.00 0.00 H ATOM 163 HG2 ARG A 10 7.778 -5.868 28.888 1.00 0.00 H ATOM 164 HG3 ARG A 10 8.122 -7.011 27.569 1.00 0.00 H ATOM 165 HD2 ARG A 10 10.539 -5.746 27.977 1.00 0.00 H ATOM 166 HD3 ARG A 10 10.062 -7.359 28.557 1.00 0.00 H ATOM 167 HE ARG A 10 10.645 -5.094 30.190 1.00 0.00 H ATOM 168 HH12 ARG A 10 7.758 -7.531 31.810 1.00 0.00 H ATOM 169 HH11 ARG A 10 8.159 -7.765 30.069 1.00 0.00 H ATOM 170 HH22 ARG A 10 8.784 -5.967 33.034 1.00 0.00 H ATOM 171 HH21 ARG A 10 10.039 -4.886 32.327 1.00 0.00 H ATOM 172 H ARG A 10 7.381 -2.246 27.955 1.00 0.00 H ATOM 173 N GLY A 11 9.827 -1.678 26.116 1.00 18.73 N ATOM 174 CA GLY A 11 10.282 -0.824 25.002 1.00 16.31 C ATOM 175 C GLY A 11 11.699 -1.259 24.638 1.00 16.22 C ATOM 176 O GLY A 11 12.194 -2.350 24.972 1.00 16.61 O ATOM 177 HA3 GLY A 11 10.281 0.222 25.310 1.00 0.00 H ATOM 178 HA2 GLY A 11 9.622 -0.949 24.144 1.00 0.00 H ATOM 179 H GLY A 11 9.915 -1.306 27.083 1.00 0.00 H ATOM 180 N THR A 12 12.342 -0.377 23.893 1.00 15.09 N ATOM 181 CA THR A 12 13.681 -0.607 23.368 1.00 13.14 C ATOM 182 C THR A 12 14.575 0.585 23.699 1.00 10.99 C ATOM 183 O THR A 12 15.535 0.720 22.948 1.00 11.06 O ATOM 184 CB THR A 12 13.679 -0.933 21.816 1.00 14.97 C ATOM 185 OG1 THR A 12 13.177 0.252 21.055 1.00 17.08 O ATOM 186 CG2 THR A 12 12.839 -2.156 21.426 1.00 13.22 C ATOM 187 HA THR A 12 14.086 -1.495 23.854 1.00 0.00 H ATOM 188 HB THR A 12 14.713 -1.169 21.563 1.00 0.00 H ATOM 189 HG1 THR A 12 12.256 0.465 21.348 1.00 0.00 H ATOM 190 HG23 THR A 12 13.194 -3.029 21.974 1.00 0.00 H ATOM 191 HG21 THR A 12 11.794 -1.971 21.673 1.00 0.00 H ATOM 192 HG22 THR A 12 12.934 -2.334 20.355 1.00 0.00 H ATOM 193 H THR A 12 11.870 0.523 23.671 1.00 0.00 H ATOM 194 N MET A 13 14.348 1.345 24.740 1.00 10.01 N ATOM 195 CA MET A 13 15.327 2.438 25.055 1.00 10.88 C ATOM 196 C MET A 13 16.668 1.716 25.378 1.00 11.31 C ATOM 197 O MET A 13 16.678 0.690 26.174 1.00 11.49 O ATOM 198 CB MET A 13 14.791 3.310 26.185 1.00 11.85 C ATOM 199 CG MET A 13 14.751 4.790 25.975 1.00 16.41 C ATOM 200 SD MET A 13 16.322 5.519 25.363 1.00 17.52 S ATOM 201 CE MET A 13 17.135 5.885 26.963 1.00 20.72 C ATOM 202 HA MET A 13 15.486 3.131 24.229 1.00 0.00 H ATOM 203 HB2 MET A 13 13.771 2.984 26.389 1.00 0.00 H ATOM 204 HB3 MET A 13 15.413 3.124 27.061 1.00 0.00 H ATOM 205 HG2 MET A 13 14.505 5.262 26.926 1.00 0.00 H ATOM 206 HG3 MET A 13 13.968 5.009 25.249 1.00 0.00 H ATOM 207 HE1 MET A 13 16.515 6.576 27.534 1.00 0.00 H ATOM 208 HE2 MET A 13 17.262 4.960 27.525 1.00 0.00 H ATOM 209 HE3 MET A 13 18.110 6.336 26.779 1.00 0.00 H ATOM 210 H MET A 13 13.508 1.195 25.335 1.00 0.00 H ATOM 211 N SER A 14 17.770 2.154 24.862 1.00 10.00 N ATOM 212 CA SER A 14 19.079 1.554 25.043 1.00 10.00 C ATOM 213 C SER A 14 20.169 2.487 25.552 1.00 10.91 C ATOM 214 O SER A 14 21.388 2.126 25.660 1.00 12.42 O ATOM 215 CB SER A 14 19.581 0.889 23.790 1.00 10.49 C ATOM 216 OG SER A 14 19.613 1.557 22.573 1.00 10.00 O ATOM 217 HA SER A 14 18.893 0.819 25.826 1.00 0.00 H ATOM 218 HB2 SER A 14 18.958 0.007 23.640 1.00 0.00 H ATOM 219 HB3 SER A 14 20.605 0.578 23.997 1.00 0.00 H ATOM 220 HG SER A 14 18.696 1.837 22.327 1.00 0.00 H ATOM 221 H SER A 14 17.714 3.006 24.269 1.00 0.00 H ATOM 222 N LYS A 15 19.723 3.676 25.994 1.00 10.83 N ATOM 223 CA LYS A 15 20.768 4.563 26.593 1.00 11.47 C ATOM 224 C LYS A 15 20.122 5.042 27.877 1.00 11.04 C ATOM 225 O LYS A 15 18.897 5.070 27.889 1.00 10.63 O ATOM 226 CB LYS A 15 21.283 5.645 25.685 1.00 14.34 C ATOM 227 CG LYS A 15 22.714 5.350 25.166 1.00 18.13 C ATOM 228 CD LYS A 15 23.005 6.273 23.981 1.00 22.99 C ATOM 229 CE LYS A 15 21.693 6.522 23.218 1.00 21.25 C ATOM 230 NZ LYS A 15 21.663 5.605 22.048 1.00 26.82 N ATOM 231 HA LYS A 15 21.702 4.034 26.780 1.00 0.00 H ATOM 232 HB2 LYS A 15 20.612 5.734 24.831 1.00 0.00 H ATOM 233 HB3 LYS A 15 21.297 6.586 26.234 1.00 0.00 H ATOM 234 HG2 LYS A 15 23.438 5.533 25.960 1.00 0.00 H ATOM 235 HG3 LYS A 15 22.782 4.310 24.847 1.00 0.00 H ATOM 236 HD2 LYS A 15 23.405 7.220 24.343 1.00 0.00 H ATOM 237 HD3 LYS A 15 23.732 5.802 23.319 1.00 0.00 H ATOM 238 HE2 LYS A 15 21.652 7.557 22.879 1.00 0.00 H ATOM 239 HE3 LYS A 15 20.842 6.321 23.869 1.00 0.00 H ATOM 240 HZ1 LYS A 15 22.479 5.801 21.434 1.00 0.00 H ATOM 241 HZ2 LYS A 15 21.706 4.620 22.380 1.00 0.00 H ATOM 242 HZ3 LYS A 15 20.783 5.755 21.514 1.00 0.00 H ATOM 243 H LYS A 15 18.724 3.958 25.924 1.00 0.00 H ATOM 244 N THR A 16 20.867 5.362 28.914 1.00 12.98 N ATOM 245 CA THR A 16 20.292 5.898 30.181 1.00 12.91 C ATOM 246 C THR A 16 19.800 7.341 30.021 1.00 14.76 C ATOM 247 O THR A 16 20.002 7.951 28.916 1.00 15.41 O ATOM 248 CB THR A 16 21.399 5.888 31.284 1.00 10.61 C ATOM 249 OG1 THR A 16 22.513 6.460 30.553 1.00 10.17 O ATOM 250 CG2 THR A 16 21.796 4.560 31.883 1.00 12.53 C ATOM 251 HA THR A 16 19.445 5.268 30.453 1.00 0.00 H ATOM 252 HB THR A 16 21.046 6.411 32.173 1.00 0.00 H ATOM 253 HG1 THR A 16 22.723 5.887 29.773 1.00 0.00 H ATOM 254 HG23 THR A 16 20.950 4.142 32.429 1.00 0.00 H ATOM 255 HG21 THR A 16 22.089 3.877 31.086 1.00 0.00 H ATOM 256 HG22 THR A 16 22.634 4.706 32.565 1.00 0.00 H ATOM 257 H THR A 16 21.897 5.236 28.847 1.00 0.00 H ATOM 258 N LYS A 17 19.475 7.948 31.162 1.00 14.45 N ATOM 259 CA LYS A 17 18.943 9.346 31.053 1.00 15.39 C ATOM 260 C LYS A 17 20.109 10.288 30.723 1.00 16.52 C ATOM 261 O LYS A 17 19.902 11.368 30.135 1.00 16.56 O ATOM 262 CB LYS A 17 18.113 9.623 32.327 1.00 13.26 C ATOM 263 CG LYS A 17 19.019 10.273 33.378 1.00 16.26 C ATOM 264 CD LYS A 17 19.528 9.355 34.453 1.00 17.11 C ATOM 265 CE LYS A 17 19.721 10.126 35.777 1.00 18.00 C ATOM 266 NZ LYS A 17 21.156 10.495 35.986 1.00 15.13 N ATOM 267 HA LYS A 17 18.247 9.514 30.231 1.00 0.00 H ATOM 268 HB2 LYS A 17 17.289 10.295 32.088 1.00 0.00 H ATOM 269 HB3 LYS A 17 17.715 8.686 32.716 1.00 0.00 H ATOM 270 HG2 LYS A 17 19.881 10.697 32.862 1.00 0.00 H ATOM 271 HG3 LYS A 17 18.455 11.073 33.859 1.00 0.00 H ATOM 272 HD2 LYS A 17 18.809 8.550 34.608 1.00 0.00 H ATOM 273 HD3 LYS A 17 20.483 8.932 34.141 1.00 0.00 H ATOM 274 HE2 LYS A 17 19.391 9.499 36.605 1.00 0.00 H ATOM 275 HE3 LYS A 17 19.120 11.035 35.750 1.00 0.00 H ATOM 276 HZ1 LYS A 17 21.734 9.631 36.018 1.00 0.00 H ATOM 277 HZ2 LYS A 17 21.475 11.098 35.201 1.00 0.00 H ATOM 278 HZ3 LYS A 17 21.253 11.012 36.883 1.00 0.00 H ATOM 279 H LYS A 17 19.585 7.476 32.082 1.00 0.00 H ATOM 280 N ASN A 18 21.358 9.832 30.812 1.00 17.85 N ATOM 281 CA ASN A 18 22.588 10.551 30.477 1.00 19.63 C ATOM 282 C ASN A 18 23.004 10.298 29.016 1.00 20.06 C ATOM 283 O ASN A 18 24.144 10.679 28.643 1.00 21.14 O ATOM 284 CB ASN A 18 23.758 10.246 31.426 1.00 22.56 C ATOM 285 CG ASN A 18 23.484 10.873 32.786 1.00 26.75 C ATOM 286 OD1 ASN A 18 22.809 10.241 33.628 1.00 28.36 O ATOM 287 ND2 ASN A 18 23.891 12.154 32.915 1.00 28.79 N ATOM 288 HA ASN A 18 22.352 11.608 30.604 1.00 0.00 H ATOM 289 HB2 ASN A 18 23.864 9.167 31.538 1.00 0.00 H ATOM 290 HB3 ASN A 18 24.678 10.660 31.014 1.00 0.00 H ATOM 291 HD22 ASN A 18 24.451 12.600 32.161 1.00 0.00 H ATOM 292 HD21 ASN A 18 23.644 12.695 33.769 1.00 0.00 H ATOM 293 H ASN A 18 21.471 8.858 31.158 1.00 0.00 H ATOM 294 N GLY A 19 22.194 9.495 28.351 1.00 19.88 N ATOM 295 CA GLY A 19 22.482 9.104 26.961 1.00 19.48 C ATOM 296 C GLY A 19 23.566 8.067 26.765 1.00 19.05 C ATOM 297 O GLY A 19 24.033 7.848 25.623 1.00 18.78 O ATOM 298 HA3 GLY A 19 22.779 10.001 26.418 1.00 0.00 H ATOM 299 HA2 GLY A 19 21.562 8.708 26.530 1.00 0.00 H ATOM 300 H GLY A 19 21.338 9.132 28.817 1.00 0.00 H ATOM 301 N ILE A 20 24.134 7.484 27.823 1.00 18.93 N ATOM 302 CA ILE A 20 25.142 6.434 27.737 1.00 16.97 C ATOM 303 C ILE A 20 24.442 5.082 27.328 1.00 16.75 C ATOM 304 O ILE A 20 23.355 4.753 27.873 1.00 14.53 O ATOM 305 CB ILE A 20 25.909 5.992 29.033 1.00 17.38 C ATOM 306 CG1 ILE A 20 26.743 4.757 28.584 1.00 16.68 C ATOM 307 CG2 ILE A 20 24.906 5.746 30.193 1.00 17.49 C ATOM 308 CD1 ILE A 20 27.971 4.314 29.458 1.00 16.65 C ATOM 309 HA ILE A 20 25.852 6.894 27.050 1.00 0.00 H ATOM 310 HB ILE A 20 26.581 6.745 29.445 1.00 0.00 H ATOM 311 HG12 ILE A 20 26.060 3.909 28.538 1.00 0.00 H ATOM 312 HG13 ILE A 20 27.122 4.972 27.585 1.00 0.00 H ATOM 313 HD11 ILE A 20 28.692 5.130 29.509 1.00 0.00 H ATOM 314 HD12 ILE A 20 27.629 4.066 30.463 1.00 0.00 H ATOM 315 HD13 ILE A 20 28.441 3.440 29.006 1.00 0.00 H ATOM 316 HG21 ILE A 20 24.358 6.665 30.399 1.00 0.00 H ATOM 317 HG22 ILE A 20 24.207 4.961 29.906 1.00 0.00 H ATOM 318 HG23 ILE A 20 25.452 5.440 31.085 1.00 0.00 H ATOM 319 H ILE A 20 23.839 7.799 28.769 1.00 0.00 H ATOM 320 N THR A 21 25.297 4.423 26.522 1.00 15.56 N ATOM 321 CA THR A 21 24.879 3.143 25.948 1.00 16.88 C ATOM 322 C THR A 21 24.803 1.991 26.968 1.00 14.92 C ATOM 323 O THR A 21 25.805 1.768 27.625 1.00 13.91 O ATOM 324 CB THR A 21 25.774 2.650 24.759 1.00 18.83 C ATOM 325 OG1 THR A 21 25.342 3.300 23.528 1.00 20.92 O ATOM 326 CG2 THR A 21 25.651 1.105 24.574 1.00 20.47 C ATOM 327 HA THR A 21 23.879 3.376 25.582 1.00 0.00 H ATOM 328 HB THR A 21 26.811 2.901 24.983 1.00 0.00 H ATOM 329 HG1 THR A 21 25.907 2.989 22.776 1.00 0.00 H ATOM 330 HG23 THR A 21 25.971 0.604 25.488 1.00 0.00 H ATOM 331 HG21 THR A 21 24.613 0.847 24.361 1.00 0.00 H ATOM 332 HG22 THR A 21 26.283 0.788 23.744 1.00 0.00 H ATOM 333 H THR A 21 26.236 4.816 26.312 1.00 0.00 H ATOM 334 N CYS A 22 23.641 1.321 26.935 1.00 15.09 N ATOM 335 CA CYS A 22 23.565 0.152 27.857 1.00 15.51 C ATOM 336 C CYS A 22 24.644 -0.886 27.548 1.00 14.35 C ATOM 337 O CYS A 22 25.668 -0.678 26.879 1.00 14.97 O ATOM 338 CB CYS A 22 22.142 -0.362 27.778 1.00 13.61 C ATOM 339 SG CYS A 22 20.978 0.832 28.449 1.00 16.46 S ATOM 340 HA CYS A 22 23.781 0.429 28.889 1.00 0.00 H ATOM 341 HB2 CYS A 22 22.067 -1.289 28.346 1.00 0.00 H ATOM 342 HB3 CYS A 22 21.891 -0.555 26.735 1.00 0.00 H ATOM 343 H CYS A 22 22.854 1.596 26.314 1.00 0.00 H ATOM 344 N GLN A 23 24.656 -1.913 28.372 1.00 15.47 N ATOM 345 CA GLN A 23 25.372 -3.200 28.265 1.00 13.88 C ATOM 346 C GLN A 23 24.178 -4.163 28.077 1.00 15.48 C ATOM 347 O GLN A 23 23.004 -3.800 28.435 1.00 13.95 O ATOM 348 CB GLN A 23 26.018 -3.679 29.541 1.00 14.97 C ATOM 349 CG GLN A 23 27.216 -4.665 29.429 1.00 10.40 C ATOM 350 CD GLN A 23 27.548 -5.047 30.873 1.00 12.34 C ATOM 351 OE1 GLN A 23 28.481 -4.454 31.381 1.00 11.36 O ATOM 352 NE2 GLN A 23 26.861 -6.029 31.491 1.00 10.00 N ATOM 353 HA GLN A 23 26.157 -3.135 27.511 1.00 0.00 H ATOM 354 HB2 GLN A 23 26.372 -2.798 30.076 1.00 0.00 H ATOM 355 HB3 GLN A 23 25.245 -4.173 30.130 1.00 0.00 H ATOM 356 HG2 GLN A 23 26.935 -5.547 28.854 1.00 0.00 H ATOM 357 HG3 GLN A 23 28.069 -4.180 28.954 1.00 0.00 H ATOM 358 HE22 GLN A 23 26.072 -6.498 31.003 1.00 0.00 H ATOM 359 HE21 GLN A 23 27.120 -6.317 32.456 1.00 0.00 H ATOM 360 H GLN A 23 24.074 -1.801 29.226 1.00 0.00 H ATOM 361 N LYS A 24 24.476 -5.341 27.515 1.00 17.19 N ATOM 362 CA LYS A 24 23.358 -6.358 27.385 1.00 16.07 C ATOM 363 C LYS A 24 23.204 -7.071 28.739 1.00 14.68 C ATOM 364 O LYS A 24 24.139 -7.251 29.541 1.00 13.51 O ATOM 365 CB LYS A 24 23.572 -7.374 26.257 1.00 17.05 C ATOM 366 CG LYS A 24 24.034 -6.654 24.957 1.00 19.71 C ATOM 367 CD LYS A 24 23.161 -7.085 23.786 1.00 24.46 C ATOM 368 CE LYS A 24 23.490 -6.388 22.478 1.00 23.95 C ATOM 369 NZ LYS A 24 24.936 -6.612 22.116 1.00 25.11 N ATOM 370 HA LYS A 24 22.447 -5.823 27.115 1.00 0.00 H ATOM 371 HB2 LYS A 24 24.334 -8.092 26.560 1.00 0.00 H ATOM 372 HB3 LYS A 24 22.636 -7.899 26.064 1.00 0.00 H ATOM 373 HG2 LYS A 24 23.951 -5.576 25.092 1.00 0.00 H ATOM 374 HG3 LYS A 24 25.072 -6.914 24.749 1.00 0.00 H ATOM 375 HD2 LYS A 24 23.285 -8.158 23.643 1.00 0.00 H ATOM 376 HD3 LYS A 24 22.122 -6.871 24.036 1.00 0.00 H ATOM 377 HE2 LYS A 24 23.307 -5.319 22.584 1.00 0.00 H ATOM 378 HE3 LYS A 24 22.855 -6.788 21.687 1.00 0.00 H ATOM 379 HZ1 LYS A 24 25.544 -6.229 22.868 1.00 0.00 H ATOM 380 HZ2 LYS A 24 25.112 -7.632 22.012 1.00 0.00 H ATOM 381 HZ3 LYS A 24 25.146 -6.129 21.219 1.00 0.00 H ATOM 382 H LYS A 24 25.438 -5.551 27.180 1.00 0.00 H ATOM 383 N TRP A 25 21.975 -7.534 28.948 1.00 14.84 N ATOM 384 CA TRP A 25 21.684 -8.245 30.188 1.00 16.21 C ATOM 385 C TRP A 25 22.399 -9.596 30.236 1.00 17.40 C ATOM 386 O TRP A 25 22.733 -10.011 31.364 1.00 18.43 O ATOM 387 CB TRP A 25 20.197 -8.316 30.389 1.00 16.55 C ATOM 388 CG TRP A 25 19.520 -6.987 30.406 1.00 17.45 C ATOM 389 CD1 TRP A 25 18.902 -6.372 29.332 1.00 17.43 C ATOM 390 CD2 TRP A 25 19.435 -6.071 31.511 1.00 16.64 C ATOM 391 NE1 TRP A 25 18.309 -5.203 29.766 1.00 17.19 N ATOM 392 CE2 TRP A 25 18.646 -4.975 31.087 1.00 17.38 C ATOM 393 CE3 TRP A 25 19.884 -6.078 32.822 1.00 16.70 C ATOM 394 CZ2 TRP A 25 18.277 -3.965 31.963 1.00 15.44 C ATOM 395 CZ3 TRP A 25 19.503 -5.092 33.720 1.00 16.71 C ATOM 396 CH2 TRP A 25 18.622 -4.083 33.299 1.00 14.33 C ATOM 397 HA TRP A 25 22.085 -7.694 31.039 1.00 0.00 H ATOM 398 HB2 TRP A 25 19.770 -8.908 29.579 1.00 0.00 H ATOM 399 HB3 TRP A 25 20.003 -8.811 31.340 1.00 0.00 H ATOM 400 HE1 TRP A 25 17.702 -4.588 29.187 1.00 0.00 H ATOM 401 HD1 TRP A 25 18.886 -6.749 28.309 1.00 0.00 H ATOM 402 HZ2 TRP A 25 17.726 -3.095 31.607 1.00 0.00 H ATOM 403 HH2 TRP A 25 18.207 -3.388 34.029 1.00 0.00 H ATOM 404 HZ3 TRP A 25 19.883 -5.100 34.741 1.00 0.00 H ATOM 405 HE3 TRP A 25 20.550 -6.874 33.154 1.00 0.00 H ATOM 406 H TRP A 25 21.230 -7.391 28.236 1.00 0.00 H ATOM 407 N SER A 26 22.779 -10.088 29.060 1.00 18.06 N ATOM 408 CA SER A 26 23.426 -11.375 28.839 1.00 18.34 C ATOM 409 C SER A 26 24.939 -11.263 28.676 1.00 17.56 C ATOM 410 O SER A 26 25.640 -12.240 28.342 1.00 17.80 O ATOM 411 CB SER A 26 22.691 -12.142 27.712 1.00 19.60 C ATOM 412 OG SER A 26 22.884 -11.651 26.391 1.00 19.73 O ATOM 413 HA SER A 26 23.330 -11.983 29.739 1.00 0.00 H ATOM 414 HB2 SER A 26 21.623 -12.108 27.927 1.00 0.00 H ATOM 415 HB3 SER A 26 23.032 -13.177 27.736 1.00 0.00 H ATOM 416 HG SER A 26 22.373 -12.211 25.754 1.00 0.00 H ATOM 417 H SER A 26 22.598 -9.500 28.221 1.00 0.00 H ATOM 418 N SER A 27 25.461 -10.066 28.871 1.00 17.00 N ATOM 419 CA SER A 27 26.942 -9.919 28.833 1.00 16.51 C ATOM 420 C SER A 27 27.371 -9.841 30.304 1.00 16.07 C ATOM 421 O SER A 27 26.563 -9.686 31.210 1.00 15.54 O ATOM 422 CB SER A 27 27.428 -8.774 27.965 1.00 16.58 C ATOM 423 OG SER A 27 28.859 -8.676 28.079 1.00 19.07 O ATOM 424 HA SER A 27 27.416 -10.767 28.339 1.00 0.00 H ATOM 425 HB2 SER A 27 26.970 -7.843 28.298 1.00 0.00 H ATOM 426 HB3 SER A 27 27.156 -8.961 26.926 1.00 0.00 H ATOM 427 HG SER A 27 29.184 -7.930 27.515 1.00 0.00 H ATOM 428 H SER A 27 24.850 -9.243 29.047 1.00 0.00 H ATOM 429 N THR A 28 28.639 -9.953 30.553 1.00 17.12 N ATOM 430 CA THR A 28 29.330 -9.952 31.813 1.00 18.16 C ATOM 431 C THR A 28 30.501 -8.974 31.715 1.00 19.48 C ATOM 432 O THR A 28 31.488 -9.121 32.449 1.00 20.16 O ATOM 433 CB THR A 28 29.840 -11.411 32.172 1.00 18.94 C ATOM 434 OG1 THR A 28 31.105 -11.636 31.463 1.00 15.74 O ATOM 435 CG2 THR A 28 28.801 -12.511 31.849 1.00 16.97 C ATOM 436 HA THR A 28 28.654 -9.640 32.609 1.00 0.00 H ATOM 437 HB THR A 28 29.994 -11.476 33.249 1.00 0.00 H ATOM 438 HG1 THR A 28 31.769 -10.960 31.752 1.00 0.00 H ATOM 439 HG23 THR A 28 27.878 -12.309 32.393 1.00 0.00 H ATOM 440 HG21 THR A 28 28.599 -12.515 30.778 1.00 0.00 H ATOM 441 HG22 THR A 28 29.196 -13.482 32.149 1.00 0.00 H ATOM 442 H THR A 28 29.246 -10.059 29.716 1.00 0.00 H ATOM 443 N SER A 29 30.357 -8.082 30.737 1.00 20.61 N ATOM 444 CA SER A 29 31.316 -7.006 30.445 1.00 20.63 C ATOM 445 C SER A 29 30.565 -5.794 29.851 1.00 21.69 C ATOM 446 O SER A 29 29.610 -5.902 29.071 1.00 22.12 O ATOM 447 CB SER A 29 32.492 -7.455 29.599 1.00 19.19 C ATOM 448 OG SER A 29 33.311 -6.397 29.170 1.00 19.67 O ATOM 449 HA SER A 29 31.775 -6.699 31.385 1.00 0.00 H ATOM 450 HB2 SER A 29 32.107 -7.972 28.720 1.00 0.00 H ATOM 451 HB3 SER A 29 33.098 -8.144 30.188 1.00 0.00 H ATOM 452 HG SER A 29 34.055 -6.757 28.626 1.00 0.00 H ATOM 453 H SER A 29 29.509 -8.151 30.139 1.00 0.00 H ATOM 454 N PRO A 30 30.960 -4.597 30.234 1.00 21.87 N ATOM 455 CA PRO A 30 32.057 -4.294 31.147 1.00 22.19 C ATOM 456 C PRO A 30 31.799 -4.643 32.622 1.00 21.85 C ATOM 457 O PRO A 30 32.729 -4.433 33.435 1.00 21.40 O ATOM 458 CB PRO A 30 32.186 -2.771 31.120 1.00 23.21 C ATOM 459 CG PRO A 30 30.955 -2.239 30.439 1.00 23.43 C ATOM 460 CD PRO A 30 30.242 -3.415 29.781 1.00 22.80 C ATOM 461 HA PRO A 30 32.920 -4.874 30.821 1.00 0.00 H ATOM 462 HD3 PRO A 30 29.200 -3.456 30.097 1.00 0.00 H ATOM 463 HD2 PRO A 30 30.288 -3.332 28.695 1.00 0.00 H ATOM 464 HG3 PRO A 30 31.236 -1.506 29.683 1.00 0.00 H ATOM 465 HG2 PRO A 30 30.299 -1.770 31.172 1.00 0.00 H ATOM 466 HB2 PRO A 30 32.250 -2.382 32.136 1.00 0.00 H ATOM 467 HB3 PRO A 30 33.077 -2.480 30.564 1.00 0.00 H ATOM 468 N HIS A 31 30.583 -5.055 32.891 1.00 20.04 N ATOM 469 CA HIS A 31 30.037 -5.383 34.182 1.00 19.85 C ATOM 470 C HIS A 31 29.481 -6.816 34.266 1.00 19.27 C ATOM 471 O HIS A 31 28.884 -7.361 33.296 1.00 19.43 O ATOM 472 CB HIS A 31 28.836 -4.449 34.602 1.00 19.57 C ATOM 473 CG HIS A 31 29.339 -3.057 34.891 1.00 19.94 C ATOM 474 ND1 HIS A 31 29.012 -1.931 34.164 1.00 19.81 N ATOM 475 CD2 HIS A 31 30.259 -2.672 35.829 1.00 19.83 C ATOM 476 CE1 HIS A 31 29.834 -0.963 34.555 1.00 20.02 C ATOM 477 NE2 HIS A 31 30.498 -1.346 35.639 1.00 18.36 N ATOM 478 HA HIS A 31 30.892 -5.255 34.845 1.00 0.00 H ATOM 479 HB2 HIS A 31 28.109 -4.409 33.791 1.00 0.00 H ATOM 480 HB3 HIS A 31 28.360 -4.853 35.495 1.00 0.00 H ATOM 481 HD2 HIS A 31 30.715 -3.309 36.587 1.00 0.00 H ATOM 482 HE1 HIS A 31 29.946 0.001 34.060 1.00 0.00 H ATOM 483 H HIS A 31 29.940 -5.156 32.080 1.00 0.00 H ATOM 484 N ARG A 32 29.739 -7.446 35.405 1.00 18.40 N ATOM 485 CA ARG A 32 29.113 -8.793 35.535 1.00 18.52 C ATOM 486 C ARG A 32 27.855 -8.528 36.348 1.00 16.84 C ATOM 487 O ARG A 32 27.952 -8.114 37.514 1.00 14.64 O ATOM 488 CB ARG A 32 30.010 -9.959 35.946 1.00 21.47 C ATOM 489 CG ARG A 32 29.686 -11.096 34.930 1.00 24.52 C ATOM 490 CD ARG A 32 29.643 -12.477 35.465 1.00 26.26 C ATOM 491 NE ARG A 32 30.895 -13.010 35.979 1.00 28.88 N ATOM 492 CZ ARG A 32 31.934 -13.572 35.338 1.00 28.79 C ATOM 493 NH1 ARG A 32 31.979 -13.731 34.017 1.00 28.17 N ATOM 494 NH2 ARG A 32 33.022 -13.996 36.025 1.00 30.12 N ATOM 495 HA ARG A 32 28.868 -9.220 34.562 1.00 0.00 H ATOM 496 HB2 ARG A 32 31.061 -9.676 35.882 1.00 0.00 H ATOM 497 HB3 ARG A 32 29.782 -10.278 36.963 1.00 0.00 H ATOM 498 HG2 ARG A 32 28.711 -10.881 34.493 1.00 0.00 H ATOM 499 HG3 ARG A 32 30.446 -11.068 34.149 1.00 0.00 H ATOM 500 HD2 ARG A 32 29.307 -13.134 34.662 1.00 0.00 H ATOM 501 HD3 ARG A 32 28.916 -12.496 36.277 1.00 0.00 H ATOM 502 HE ARG A 32 31.004 -12.946 37.011 1.00 0.00 H ATOM 503 HH12 ARG A 32 32.810 -14.173 33.574 1.00 0.00 H ATOM 504 HH11 ARG A 32 31.183 -13.413 33.428 1.00 0.00 H ATOM 505 HH22 ARG A 32 33.820 -14.429 35.519 1.00 0.00 H ATOM 506 HH21 ARG A 32 33.059 -13.888 37.059 1.00 0.00 H ATOM 507 H ARG A 32 30.333 -7.031 36.151 1.00 0.00 H ATOM 508 N PRO A 33 26.723 -8.768 35.703 1.00 17.07 N ATOM 509 CA PRO A 33 25.422 -8.413 36.240 1.00 17.58 C ATOM 510 C PRO A 33 24.810 -9.327 37.280 1.00 17.11 C ATOM 511 O PRO A 33 24.992 -10.529 37.153 1.00 15.92 O ATOM 512 CB PRO A 33 24.418 -8.367 35.084 1.00 17.15 C ATOM 513 CG PRO A 33 25.163 -8.825 33.879 1.00 18.39 C ATOM 514 CD PRO A 33 26.601 -9.129 34.285 1.00 18.93 C ATOM 515 HA PRO A 33 25.611 -7.466 36.746 1.00 0.00 H ATOM 516 HD3 PRO A 33 26.815 -10.189 34.147 1.00 0.00 H ATOM 517 HD2 PRO A 33 27.294 -8.539 33.686 1.00 0.00 H ATOM 518 HG3 PRO A 33 25.153 -8.042 33.120 1.00 0.00 H ATOM 519 HG2 PRO A 33 24.696 -9.724 33.478 1.00 0.00 H ATOM 520 HB2 PRO A 33 23.577 -9.030 35.285 1.00 0.00 H ATOM 521 HB3 PRO A 33 24.051 -7.351 34.940 1.00 0.00 H ATOM 522 N ARG A 34 24.155 -8.660 38.223 1.00 17.38 N ATOM 523 CA ARG A 34 23.386 -9.439 39.226 1.00 17.47 C ATOM 524 C ARG A 34 21.993 -9.764 38.697 1.00 16.07 C ATOM 525 O ARG A 34 21.328 -10.699 39.191 1.00 15.32 O ATOM 526 CB ARG A 34 23.435 -8.793 40.603 1.00 16.90 C ATOM 527 CG ARG A 34 24.586 -9.434 41.401 1.00 19.50 C ATOM 528 CD ARG A 34 24.809 -8.740 42.713 1.00 19.16 C ATOM 529 NE ARG A 34 25.206 -7.358 42.456 1.00 19.80 N ATOM 530 CZ ARG A 34 25.355 -6.446 43.423 1.00 20.09 C ATOM 531 NH1 ARG A 34 25.160 -6.740 44.705 1.00 20.25 N ATOM 532 NH2 ARG A 34 25.635 -5.188 43.083 1.00 20.24 N ATOM 533 HA ARG A 34 23.863 -10.407 39.381 1.00 0.00 H ATOM 534 HB2 ARG A 34 23.609 -7.722 40.501 1.00 0.00 H ATOM 535 HB3 ARG A 34 22.491 -8.959 41.121 1.00 0.00 H ATOM 536 HG2 ARG A 34 24.344 -10.480 41.591 1.00 0.00 H ATOM 537 HG3 ARG A 34 25.500 -9.375 40.811 1.00 0.00 H ATOM 538 HD2 ARG A 34 25.596 -9.250 43.268 1.00 0.00 H ATOM 539 HD3 ARG A 34 23.888 -8.754 43.296 1.00 0.00 H ATOM 540 HE ARG A 34 25.381 -7.069 41.473 1.00 0.00 H ATOM 541 HH12 ARG A 34 25.285 -6.006 45.432 1.00 0.00 H ATOM 542 HH11 ARG A 34 24.883 -7.704 44.981 1.00 0.00 H ATOM 543 HH22 ARG A 34 25.755 -4.464 43.820 1.00 0.00 H ATOM 544 HH21 ARG A 34 25.734 -4.930 42.080 1.00 0.00 H ATOM 545 H ARG A 34 24.180 -7.621 38.258 1.00 0.00 H ATOM 546 N PHE A 35 21.533 -8.923 37.755 1.00 14.48 N ATOM 547 CA PHE A 35 20.223 -9.196 37.144 1.00 13.04 C ATOM 548 C PHE A 35 20.589 -9.559 35.669 1.00 13.24 C ATOM 549 O PHE A 35 21.348 -8.813 35.038 1.00 12.22 O ATOM 550 CB PHE A 35 19.117 -8.170 37.292 1.00 11.84 C ATOM 551 CG PHE A 35 18.507 -7.929 38.634 1.00 10.33 C ATOM 552 CD1 PHE A 35 19.230 -7.269 39.621 1.00 11.85 C ATOM 553 CD2 PHE A 35 17.197 -8.303 38.886 1.00 10.00 C ATOM 554 CE1 PHE A 35 18.689 -7.034 40.901 1.00 10.82 C ATOM 555 CE2 PHE A 35 16.608 -8.095 40.125 1.00 10.84 C ATOM 556 CZ PHE A 35 17.360 -7.408 41.104 1.00 10.90 C ATOM 557 HA PHE A 35 19.722 -9.995 37.691 1.00 0.00 H ATOM 558 HB2 PHE A 35 19.522 -7.217 36.953 1.00 0.00 H ATOM 559 HB3 PHE A 35 18.309 -8.477 36.628 1.00 0.00 H ATOM 560 HD2 PHE A 35 16.615 -8.772 38.092 1.00 0.00 H ATOM 561 HE2 PHE A 35 15.599 -8.450 40.336 1.00 0.00 H ATOM 562 HZ PHE A 35 16.884 -7.161 42.053 1.00 0.00 H ATOM 563 HE1 PHE A 35 19.281 -6.581 41.696 1.00 0.00 H ATOM 564 HD1 PHE A 35 20.240 -6.925 39.399 1.00 0.00 H ATOM 565 H PHE A 35 22.092 -8.096 37.464 1.00 0.00 H ATOM 566 N SER A 36 19.909 -10.619 35.231 1.00 13.03 N ATOM 567 CA SER A 36 20.072 -11.246 33.936 1.00 14.93 C ATOM 568 C SER A 36 18.961 -12.265 33.604 1.00 14.87 C ATOM 569 O SER A 36 18.090 -12.659 34.374 1.00 13.76 O ATOM 570 CB SER A 36 21.438 -11.998 33.830 1.00 16.49 C ATOM 571 OG SER A 36 21.200 -13.387 34.031 1.00 14.34 O ATOM 572 HA SER A 36 20.023 -10.422 33.224 1.00 0.00 H ATOM 573 HB2 SER A 36 22.123 -11.627 34.592 1.00 0.00 H ATOM 574 HB3 SER A 36 21.872 -11.837 32.843 1.00 0.00 H ATOM 575 HG SER A 36 22.056 -13.880 33.967 1.00 0.00 H ATOM 576 H SER A 36 19.202 -11.030 35.874 1.00 0.00 H ATOM 577 N PRO A 37 18.963 -12.618 32.298 1.00 15.27 N ATOM 578 CA PRO A 37 17.913 -13.527 31.767 1.00 13.78 C ATOM 579 C PRO A 37 18.039 -14.908 32.410 1.00 14.09 C ATOM 580 O PRO A 37 17.119 -15.708 32.566 1.00 12.73 O ATOM 581 CB PRO A 37 18.135 -13.480 30.272 1.00 13.29 C ATOM 582 CG PRO A 37 19.349 -12.672 29.978 1.00 12.60 C ATOM 583 CD PRO A 37 19.942 -12.177 31.281 1.00 12.76 C ATOM 584 HA PRO A 37 16.887 -13.241 31.998 1.00 0.00 H ATOM 585 HD3 PRO A 37 20.919 -12.626 31.460 1.00 0.00 H ATOM 586 HD2 PRO A 37 20.038 -11.091 31.278 1.00 0.00 H ATOM 587 HG3 PRO A 37 19.079 -11.821 29.353 1.00 0.00 H ATOM 588 HG2 PRO A 37 20.080 -13.288 29.455 1.00 0.00 H ATOM 589 HB2 PRO A 37 18.271 -14.493 29.892 1.00 0.00 H ATOM 590 HB3 PRO A 37 17.270 -13.026 29.790 1.00 0.00 H ATOM 591 N ALA A 38 19.231 -15.275 32.832 1.00 14.37 N ATOM 592 CA ALA A 38 19.388 -16.575 33.558 1.00 17.65 C ATOM 593 C ALA A 38 18.475 -16.724 34.787 1.00 17.47 C ATOM 594 O ALA A 38 17.731 -17.684 34.991 1.00 18.60 O ATOM 595 CB ALA A 38 20.857 -16.701 33.982 1.00 15.89 C ATOM 596 HA ALA A 38 19.089 -17.371 32.876 1.00 0.00 H ATOM 597 HB1 ALA A 38 21.492 -16.683 33.096 1.00 0.00 H ATOM 598 HB2 ALA A 38 21.118 -15.868 34.635 1.00 0.00 H ATOM 599 HB3 ALA A 38 21.001 -17.641 34.514 1.00 0.00 H ATOM 600 H ALA A 38 20.057 -14.667 32.662 1.00 0.00 H ATOM 601 N THR A 39 18.538 -15.729 35.643 1.00 17.33 N ATOM 602 CA THR A 39 18.049 -15.455 36.961 1.00 15.87 C ATOM 603 C THR A 39 16.662 -14.858 36.989 1.00 15.36 C ATOM 604 O THR A 39 15.894 -15.103 37.970 1.00 14.59 O ATOM 605 CB THR A 39 19.035 -14.407 37.676 1.00 19.10 C ATOM 606 OG1 THR A 39 20.420 -14.904 37.699 1.00 21.22 O ATOM 607 CG2 THR A 39 18.630 -13.998 39.090 1.00 22.01 C ATOM 608 HA THR A 39 18.008 -16.416 37.474 1.00 0.00 H ATOM 609 HB THR A 39 18.958 -13.511 37.060 1.00 0.00 H ATOM 610 HG1 THR A 39 21.001 -14.238 38.145 1.00 0.00 H ATOM 611 HG23 THR A 39 17.605 -13.629 39.080 1.00 0.00 H ATOM 612 HG21 THR A 39 18.700 -14.862 39.751 1.00 0.00 H ATOM 613 HG22 THR A 39 19.297 -13.212 39.445 1.00 0.00 H ATOM 614 H THR A 39 19.087 -14.931 35.264 1.00 0.00 H ATOM 615 N HIS A 40 16.415 -13.985 36.011 1.00 14.32 N ATOM 616 CA HIS A 40 15.074 -13.323 36.059 1.00 14.75 C ATOM 617 C HIS A 40 14.433 -13.509 34.690 1.00 15.26 C ATOM 618 O HIS A 40 14.092 -12.640 33.893 1.00 11.97 O ATOM 619 CB HIS A 40 14.971 -11.917 36.669 1.00 12.97 C ATOM 620 CG HIS A 40 15.855 -11.680 37.866 1.00 12.45 C ATOM 621 ND1 HIS A 40 17.247 -11.883 37.852 1.00 10.28 N ATOM 622 CD2 HIS A 40 15.504 -11.344 39.131 1.00 11.03 C ATOM 623 CE1 HIS A 40 17.668 -11.587 39.067 1.00 11.43 C ATOM 624 NE2 HIS A 40 16.658 -11.392 39.868 1.00 10.00 N ATOM 625 HA HIS A 40 14.487 -13.827 36.827 1.00 0.00 H ATOM 626 HB2 HIS A 40 15.240 -11.193 35.900 1.00 0.00 H ATOM 627 HB3 HIS A 40 13.937 -11.754 36.973 1.00 0.00 H ATOM 628 HD2 HIS A 40 14.507 -11.088 39.489 1.00 0.00 H ATOM 629 HE1 HIS A 40 18.715 -11.515 39.360 1.00 0.00 H ATOM 630 H HIS A 40 17.109 -13.778 35.264 1.00 0.00 H ATOM 631 N PRO A 41 14.237 -14.851 34.516 1.00 15.54 N ATOM 632 CA PRO A 41 13.647 -15.318 33.270 1.00 15.12 C ATOM 633 C PRO A 41 12.398 -14.510 32.943 1.00 14.79 C ATOM 634 O PRO A 41 12.263 -14.252 31.747 1.00 14.05 O ATOM 635 CB PRO A 41 13.408 -16.799 33.439 1.00 15.18 C ATOM 636 CG PRO A 41 14.059 -17.185 34.740 1.00 15.45 C ATOM 637 CD PRO A 41 14.522 -15.934 35.435 1.00 14.94 C ATOM 638 HA PRO A 41 14.301 -15.170 32.411 1.00 0.00 H ATOM 639 HD3 PRO A 41 13.979 -15.794 36.369 1.00 0.00 H ATOM 640 HD2 PRO A 41 15.591 -15.987 35.642 1.00 0.00 H ATOM 641 HG3 PRO A 41 14.912 -17.835 34.545 1.00 0.00 H ATOM 642 HG2 PRO A 41 13.340 -17.710 35.369 1.00 0.00 H ATOM 643 HB2 PRO A 41 12.339 -17.008 33.475 1.00 0.00 H ATOM 644 HB3 PRO A 41 13.857 -17.351 32.613 1.00 0.00 H ATOM 645 N SER A 42 11.597 -14.088 33.897 1.00 14.64 N ATOM 646 CA SER A 42 10.359 -13.385 33.515 1.00 14.92 C ATOM 647 C SER A 42 10.420 -11.878 33.334 1.00 14.58 C ATOM 648 O SER A 42 9.424 -11.243 32.976 1.00 12.99 O ATOM 649 CB SER A 42 9.317 -13.770 34.558 1.00 17.57 C ATOM 650 OG SER A 42 8.846 -15.087 34.250 1.00 24.56 O ATOM 651 HA SER A 42 10.118 -13.707 32.502 1.00 0.00 H ATOM 652 HB2 SER A 42 8.487 -13.064 34.530 1.00 0.00 H ATOM 653 HB3 SER A 42 9.766 -13.761 35.551 1.00 0.00 H ATOM 654 HG SER A 42 8.166 -15.358 34.917 1.00 0.00 H ATOM 655 H SER A 42 11.832 -14.247 34.898 1.00 0.00 H ATOM 656 N GLU A 43 11.623 -11.355 33.458 1.00 15.06 N ATOM 657 CA GLU A 43 11.926 -9.928 33.478 1.00 15.45 C ATOM 658 C GLU A 43 12.121 -9.276 32.131 1.00 14.46 C ATOM 659 O GLU A 43 12.176 -8.043 32.228 1.00 13.12 O ATOM 660 CB GLU A 43 13.078 -9.672 34.458 1.00 17.19 C ATOM 661 CG GLU A 43 12.727 -9.545 35.958 1.00 20.43 C ATOM 662 CD GLU A 43 11.379 -9.988 36.442 1.00 24.29 C ATOM 663 OE1 GLU A 43 10.290 -9.490 36.158 1.00 25.51 O ATOM 664 OE2 GLU A 43 11.394 -11.031 37.176 1.00 25.83 O ATOM 665 HA GLU A 43 11.029 -9.422 33.835 1.00 0.00 H ATOM 666 HB2 GLU A 43 13.782 -10.498 34.356 1.00 0.00 H ATOM 667 HB3 GLU A 43 13.563 -8.743 34.157 1.00 0.00 H ATOM 668 HG2 GLU A 43 13.468 -10.126 36.507 1.00 0.00 H ATOM 669 HG3 GLU A 43 12.827 -8.491 36.219 1.00 0.00 H ATOM 670 H GLU A 43 12.423 -12.014 33.549 1.00 0.00 H ATOM 671 N GLY A 44 12.058 -9.950 30.971 1.00 13.80 N ATOM 672 CA GLY A 44 12.194 -9.270 29.648 1.00 12.78 C ATOM 673 C GLY A 44 13.581 -8.699 29.441 1.00 13.01 C ATOM 674 O GLY A 44 13.875 -7.737 28.700 1.00 12.93 O ATOM 675 HA3 GLY A 44 11.468 -8.459 29.593 1.00 0.00 H ATOM 676 HA2 GLY A 44 11.990 -9.993 28.858 1.00 0.00 H ATOM 677 H GLY A 44 11.910 -10.979 30.995 1.00 0.00 H ATOM 678 N LEU A 45 14.536 -9.307 30.146 1.00 13.41 N ATOM 679 CA LEU A 45 15.941 -8.784 30.066 1.00 15.24 C ATOM 680 C LEU A 45 16.568 -8.981 28.687 1.00 15.94 C ATOM 681 O LEU A 45 17.569 -9.742 28.591 1.00 16.01 O ATOM 682 CB LEU A 45 16.853 -9.319 31.236 1.00 14.13 C ATOM 683 CG LEU A 45 16.979 -8.540 32.540 1.00 17.45 C ATOM 684 CD1 LEU A 45 15.737 -7.536 32.773 1.00 16.53 C ATOM 685 CD2 LEU A 45 17.020 -9.514 33.754 1.00 17.03 C ATOM 686 HA LEU A 45 15.871 -7.706 30.208 1.00 0.00 H ATOM 687 HB2 LEU A 45 16.476 -10.308 31.498 1.00 0.00 H ATOM 688 HB3 LEU A 45 17.860 -9.412 30.829 1.00 0.00 H ATOM 689 HG LEU A 45 17.902 -7.965 32.463 1.00 0.00 H ATOM 690 HD21 LEU A 45 16.102 -10.101 33.778 1.00 0.00 H ATOM 691 HD22 LEU A 45 17.877 -10.181 33.654 1.00 0.00 H ATOM 692 HD23 LEU A 45 17.110 -8.940 34.676 1.00 0.00 H ATOM 693 HD11 LEU A 45 15.692 -6.819 31.953 1.00 0.00 H ATOM 694 HD12 LEU A 45 14.810 -8.109 32.808 1.00 0.00 H ATOM 695 HD13 LEU A 45 15.873 -7.004 33.715 1.00 0.00 H ATOM 696 H LEU A 45 14.311 -10.130 30.741 1.00 0.00 H ATOM 697 N GLU A 46 15.957 -8.410 27.662 1.00 16.38 N ATOM 698 CA GLU A 46 16.479 -8.517 26.268 1.00 17.90 C ATOM 699 C GLU A 46 17.405 -7.440 25.719 1.00 17.16 C ATOM 700 O GLU A 46 17.097 -6.212 25.747 1.00 16.58 O ATOM 701 CB GLU A 46 15.291 -8.452 25.273 1.00 18.15 C ATOM 702 CG GLU A 46 14.168 -7.584 25.852 1.00 22.74 C ATOM 703 CD GLU A 46 12.853 -7.969 25.188 1.00 24.71 C ATOM 704 OE1 GLU A 46 12.997 -8.373 24.008 1.00 26.97 O ATOM 705 OE2 GLU A 46 11.880 -7.854 25.974 1.00 22.13 O ATOM 706 HA GLU A 46 17.051 -9.442 26.345 1.00 0.00 H ATOM 707 HB2 GLU A 46 15.632 -8.021 24.332 1.00 0.00 H ATOM 708 HB3 GLU A 46 14.914 -9.459 25.095 1.00 0.00 H ATOM 709 HG2 GLU A 46 14.097 -7.747 26.927 1.00 0.00 H ATOM 710 HG3 GLU A 46 14.381 -6.533 25.659 1.00 0.00 H ATOM 711 H GLU A 46 15.085 -7.869 27.833 1.00 0.00 H ATOM 712 N GLU A 47 18.410 -7.900 24.969 1.00 16.82 N ATOM 713 CA GLU A 47 19.319 -6.901 24.345 1.00 17.86 C ATOM 714 C GLU A 47 19.915 -6.013 25.439 1.00 17.76 C ATOM 715 O GLU A 47 20.345 -6.594 26.464 1.00 17.82 O ATOM 716 CB GLU A 47 18.672 -6.019 23.278 1.00 18.92 C ATOM 717 CG GLU A 47 19.163 -6.123 21.843 1.00 21.59 C ATOM 718 CD GLU A 47 19.291 -7.524 21.255 1.00 23.00 C ATOM 719 OE1 GLU A 47 18.208 -8.156 21.404 1.00 23.82 O ATOM 720 OE2 GLU A 47 20.333 -8.038 20.816 1.00 21.29 O ATOM 721 HA GLU A 47 20.085 -7.478 23.827 1.00 0.00 H ATOM 722 HB2 GLU A 47 17.608 -6.254 23.270 1.00 0.00 H ATOM 723 HB3 GLU A 47 18.812 -4.984 23.590 1.00 0.00 H ATOM 724 HG2 GLU A 47 18.467 -5.565 21.216 1.00 0.00 H ATOM 725 HG3 GLU A 47 20.147 -5.656 21.797 1.00 0.00 H ATOM 726 H GLU A 47 18.552 -8.920 24.826 1.00 0.00 H ATOM 727 N ASN A 48 20.111 -4.728 25.205 1.00 16.90 N ATOM 728 CA ASN A 48 20.717 -3.886 26.283 1.00 17.50 C ATOM 729 C ASN A 48 19.644 -2.948 26.826 1.00 17.49 C ATOM 730 O ASN A 48 19.884 -2.057 27.663 1.00 19.18 O ATOM 731 CB ASN A 48 21.988 -3.250 25.700 1.00 13.71 C ATOM 732 CG ASN A 48 21.573 -2.287 24.541 1.00 13.80 C ATOM 733 OD1 ASN A 48 20.496 -2.346 23.913 1.00 10.00 O ATOM 734 ND2 ASN A 48 22.479 -1.339 24.274 1.00 10.00 N ATOM 735 HA ASN A 48 21.049 -4.437 27.163 1.00 0.00 H ATOM 736 HB2 ASN A 48 22.508 -2.689 26.476 1.00 0.00 H ATOM 737 HB3 ASN A 48 22.646 -4.029 25.314 1.00 0.00 H ATOM 738 HD22 ASN A 48 23.371 -1.307 24.808 1.00 0.00 H ATOM 739 HD21 ASN A 48 22.292 -0.635 23.532 1.00 0.00 H ATOM 740 H ASN A 48 19.849 -4.310 24.289 1.00 0.00 H ATOM 741 N TYR A 49 18.407 -3.236 26.444 1.00 17.53 N ATOM 742 CA TYR A 49 17.236 -2.432 26.750 1.00 16.29 C ATOM 743 C TYR A 49 17.010 -2.170 28.241 1.00 17.00 C ATOM 744 O TYR A 49 17.005 -3.152 29.021 1.00 16.28 O ATOM 745 CB TYR A 49 15.956 -3.048 26.172 1.00 15.98 C ATOM 746 CG TYR A 49 15.978 -3.437 24.700 1.00 15.05 C ATOM 747 CD1 TYR A 49 16.838 -2.788 23.778 1.00 13.67 C ATOM 748 CD2 TYR A 49 14.968 -4.323 24.256 1.00 11.71 C ATOM 749 CE1 TYR A 49 16.776 -3.117 22.408 1.00 14.71 C ATOM 750 CE2 TYR A 49 14.867 -4.596 22.887 1.00 12.42 C ATOM 751 CZ TYR A 49 15.758 -4.022 21.978 1.00 15.91 C ATOM 752 OH TYR A 49 15.657 -4.333 20.618 1.00 14.27 O ATOM 753 HA TYR A 49 17.452 -1.474 26.277 1.00 0.00 H ATOM 754 HB3 TYR A 49 15.152 -2.325 26.309 1.00 0.00 H ATOM 755 HB2 TYR A 49 15.735 -3.948 26.747 1.00 0.00 H ATOM 756 HD2 TYR A 49 14.282 -4.784 24.966 1.00 0.00 H ATOM 757 HE2 TYR A 49 14.085 -5.264 22.527 1.00 0.00 H ATOM 758 HE1 TYR A 49 17.485 -2.693 21.697 1.00 0.00 H ATOM 759 HD1 TYR A 49 17.546 -2.036 24.128 1.00 0.00 H ATOM 760 HH TYR A 49 16.358 -3.846 20.116 1.00 0.00 H ATOM 761 H TYR A 49 18.265 -4.101 25.884 1.00 0.00 H ATOM 762 N CYS A 50 16.517 -0.945 28.523 1.00 16.13 N ATOM 763 CA CYS A 50 16.165 -0.517 29.911 1.00 14.66 C ATOM 764 C CYS A 50 15.004 -1.326 30.515 1.00 12.95 C ATOM 765 O CYS A 50 13.940 -1.494 29.900 1.00 12.69 O ATOM 766 CB CYS A 50 15.842 1.012 29.891 1.00 12.67 C ATOM 767 SG CYS A 50 17.316 1.878 29.175 1.00 13.82 S ATOM 768 HA CYS A 50 17.020 -0.713 30.558 1.00 0.00 H ATOM 769 HB2 CYS A 50 15.656 1.368 30.904 1.00 0.00 H ATOM 770 HB3 CYS A 50 14.963 1.200 29.275 1.00 0.00 H ATOM 771 H CYS A 50 16.377 -0.272 27.743 1.00 0.00 H ATOM 772 N ARG A 51 15.251 -1.910 31.686 1.00 12.57 N ATOM 773 CA ARG A 51 14.178 -2.663 32.385 1.00 11.94 C ATOM 774 C ARG A 51 14.303 -2.358 33.877 1.00 10.47 C ATOM 775 O ARG A 51 15.322 -1.941 34.381 1.00 11.03 O ATOM 776 CB ARG A 51 14.194 -4.136 32.057 1.00 11.78 C ATOM 777 CG ARG A 51 13.989 -4.425 30.517 1.00 12.21 C ATOM 778 CD ARG A 51 12.477 -4.304 30.177 1.00 12.78 C ATOM 779 NE ARG A 51 12.322 -4.987 28.876 1.00 10.66 N ATOM 780 CZ ARG A 51 12.582 -4.352 27.732 1.00 13.82 C ATOM 781 NH1 ARG A 51 12.716 -3.037 27.822 1.00 16.52 N ATOM 782 NH2 ARG A 51 12.605 -4.718 26.448 1.00 12.67 N ATOM 783 HA ARG A 51 13.197 -2.338 32.038 1.00 0.00 H ATOM 784 HB2 ARG A 51 15.154 -4.551 32.364 1.00 0.00 H ATOM 785 HB3 ARG A 51 13.394 -4.625 32.613 1.00 0.00 H ATOM 786 HG2 ARG A 51 14.555 -3.701 29.930 1.00 0.00 H ATOM 787 HG3 ARG A 51 14.337 -5.431 30.284 1.00 0.00 H ATOM 788 HD2 ARG A 51 12.184 -3.257 30.098 1.00 0.00 H ATOM 789 HD3 ARG A 51 11.872 -4.792 30.941 1.00 0.00 H ATOM 790 HE ARG A 51 12.006 -5.977 28.852 1.00 0.00 H ATOM 791 HH12 ARG A 51 12.920 -2.476 26.971 1.00 0.00 H ATOM 792 HH11 ARG A 51 12.618 -2.566 28.744 1.00 0.00 H ATOM 793 HH22 ARG A 51 12.844 -4.022 25.713 1.00 0.00 H ATOM 794 HH21 ARG A 51 12.384 -5.699 26.183 1.00 0.00 H ATOM 795 H ARG A 51 16.197 -1.839 32.112 1.00 0.00 H ATOM 796 N ASN A 52 13.289 -2.651 34.603 1.00 12.38 N ATOM 797 CA ASN A 52 13.077 -2.513 36.045 1.00 11.26 C ATOM 798 C ASN A 52 12.786 -3.896 36.735 1.00 10.28 C ATOM 799 O ASN A 52 11.691 -4.241 37.222 1.00 10.00 O ATOM 800 CB ASN A 52 11.890 -1.533 36.206 1.00 11.87 C ATOM 801 CG ASN A 52 12.081 -0.968 37.628 1.00 13.24 C ATOM 802 OD1 ASN A 52 13.160 -1.401 38.118 1.00 13.44 O ATOM 803 ND2 ASN A 52 11.222 -0.038 38.060 1.00 11.74 N ATOM 804 HA ASN A 52 13.974 -2.135 36.536 1.00 0.00 H ATOM 805 HB2 ASN A 52 11.936 -0.739 35.461 1.00 0.00 H ATOM 806 HB3 ASN A 52 10.938 -2.056 36.119 1.00 0.00 H ATOM 807 HD22 ASN A 52 10.371 0.183 37.504 1.00 0.00 H ATOM 808 HD21 ASN A 52 11.405 0.465 38.952 1.00 0.00 H ATOM 809 H ASN A 52 12.484 -3.053 34.082 1.00 0.00 H ATOM 810 N PRO A 53 13.850 -4.673 36.712 1.00 10.83 N ATOM 811 CA PRO A 53 13.845 -6.015 37.317 1.00 11.64 C ATOM 812 C PRO A 53 13.396 -6.014 38.788 1.00 12.17 C ATOM 813 O PRO A 53 12.574 -6.911 39.112 1.00 13.26 O ATOM 814 CB PRO A 53 15.250 -6.555 37.244 1.00 11.04 C ATOM 815 CG PRO A 53 16.052 -5.504 36.515 1.00 11.40 C ATOM 816 CD PRO A 53 15.149 -4.367 36.113 1.00 10.37 C ATOM 817 HA PRO A 53 13.132 -6.629 36.766 1.00 0.00 H ATOM 818 HD3 PRO A 53 15.533 -3.421 36.496 1.00 0.00 H ATOM 819 HD2 PRO A 53 15.065 -4.311 35.028 1.00 0.00 H ATOM 820 HG3 PRO A 53 16.501 -5.943 35.624 1.00 0.00 H ATOM 821 HG2 PRO A 53 16.839 -5.129 37.170 1.00 0.00 H ATOM 822 HB2 PRO A 53 15.650 -6.712 38.246 1.00 0.00 H ATOM 823 HB3 PRO A 53 15.268 -7.496 36.695 1.00 0.00 H ATOM 824 N ASP A 54 13.906 -5.065 39.536 1.00 11.50 N ATOM 825 CA ASP A 54 13.633 -4.924 40.970 1.00 11.43 C ATOM 826 C ASP A 54 12.514 -3.994 41.317 1.00 12.59 C ATOM 827 O ASP A 54 12.356 -3.798 42.563 1.00 14.09 O ATOM 828 CB ASP A 54 14.924 -4.542 41.654 1.00 12.71 C ATOM 829 CG ASP A 54 15.611 -3.313 41.054 1.00 14.75 C ATOM 830 OD1 ASP A 54 15.316 -2.971 39.878 1.00 11.94 O ATOM 831 OD2 ASP A 54 16.522 -2.791 41.775 1.00 15.70 O ATOM 832 HA ASP A 54 13.271 -5.886 41.332 1.00 0.00 H ATOM 833 HB2 ASP A 54 14.708 -4.336 42.702 1.00 0.00 H ATOM 834 HB3 ASP A 54 15.611 -5.386 41.585 1.00 0.00 H ATOM 835 H ASP A 54 14.540 -4.373 39.087 1.00 0.00 H ATOM 836 N ASN A 55 11.840 -3.427 40.340 1.00 12.04 N ATOM 837 CA ASN A 55 10.728 -2.478 40.543 1.00 10.87 C ATOM 838 C ASN A 55 11.031 -1.272 41.423 1.00 11.16 C ATOM 839 O ASN A 55 10.220 -0.821 42.260 1.00 12.24 O ATOM 840 CB ASN A 55 9.595 -3.350 41.055 1.00 13.37 C ATOM 841 CG ASN A 55 8.588 -2.459 41.762 1.00 17.29 C ATOM 842 OD1 ASN A 55 8.927 -2.243 42.943 1.00 16.90 O ATOM 843 ND2 ASN A 55 7.503 -2.048 41.090 1.00 15.00 N ATOM 844 HA ASN A 55 10.481 -1.968 39.612 1.00 0.00 H ATOM 845 HB2 ASN A 55 9.114 -3.859 40.219 1.00 0.00 H ATOM 846 HB3 ASN A 55 9.986 -4.090 41.753 1.00 0.00 H ATOM 847 HD22 ASN A 55 7.372 -2.323 40.095 1.00 0.00 H ATOM 848 HD21 ASN A 55 6.792 -1.455 41.563 1.00 0.00 H ATOM 849 H ASN A 55 12.108 -3.662 39.363 1.00 0.00 H ATOM 850 N ASP A 56 12.218 -0.738 41.238 1.00 11.34 N ATOM 851 CA ASP A 56 12.811 0.489 41.846 1.00 11.09 C ATOM 852 C ASP A 56 11.853 1.659 41.572 1.00 11.35 C ATOM 853 O ASP A 56 11.373 1.883 40.415 1.00 12.84 O ATOM 854 CB ASP A 56 14.167 0.693 41.223 1.00 10.00 C ATOM 855 CG ASP A 56 15.017 1.858 41.651 1.00 11.52 C ATOM 856 OD1 ASP A 56 14.526 2.887 42.182 1.00 11.37 O ATOM 857 OD2 ASP A 56 16.269 1.835 41.535 1.00 11.67 O ATOM 858 HA ASP A 56 12.941 0.409 42.925 1.00 0.00 H ATOM 859 HB2 ASP A 56 14.745 -0.210 41.421 1.00 0.00 H ATOM 860 HB3 ASP A 56 14.010 0.794 40.149 1.00 0.00 H ATOM 861 H ASP A 56 12.834 -1.245 40.570 1.00 0.00 H ATOM 862 N PRO A 57 11.497 2.428 42.575 1.00 11.92 N ATOM 863 CA PRO A 57 10.615 3.602 42.290 1.00 12.01 C ATOM 864 C PRO A 57 11.206 4.552 41.251 1.00 11.58 C ATOM 865 O PRO A 57 10.492 5.434 40.739 1.00 11.76 O ATOM 866 CB PRO A 57 10.422 4.281 43.652 1.00 12.36 C ATOM 867 CG PRO A 57 11.196 3.515 44.658 1.00 12.80 C ATOM 868 CD PRO A 57 11.984 2.386 43.962 1.00 10.73 C ATOM 869 HA PRO A 57 9.669 3.291 41.848 1.00 0.00 H ATOM 870 HD3 PRO A 57 13.056 2.576 44.004 1.00 0.00 H ATOM 871 HD2 PRO A 57 11.769 1.421 44.421 1.00 0.00 H ATOM 872 HG3 PRO A 57 10.512 3.082 45.388 1.00 0.00 H ATOM 873 HG2 PRO A 57 11.892 4.183 45.165 1.00 0.00 H ATOM 874 HB2 PRO A 57 10.785 5.308 43.609 1.00 0.00 H ATOM 875 HB3 PRO A 57 9.365 4.281 43.919 1.00 0.00 H ATOM 876 N GLN A 58 12.520 4.492 41.000 1.00 11.72 N ATOM 877 CA GLN A 58 13.163 5.323 39.984 1.00 13.86 C ATOM 878 C GLN A 58 12.977 4.900 38.511 1.00 14.70 C ATOM 879 O GLN A 58 13.492 5.756 37.706 1.00 15.13 O ATOM 880 CB GLN A 58 14.614 5.687 40.287 1.00 13.05 C ATOM 881 CG GLN A 58 14.647 6.493 41.575 1.00 13.58 C ATOM 882 CD GLN A 58 16.007 7.157 41.739 1.00 15.95 C ATOM 883 OE1 GLN A 58 16.139 8.267 41.175 1.00 14.17 O ATOM 884 NE2 GLN A 58 17.024 6.532 42.367 1.00 11.63 N ATOM 885 HA GLN A 58 12.574 6.235 40.075 1.00 0.00 H ATOM 886 HB2 GLN A 58 15.205 4.779 40.405 1.00 0.00 H ATOM 887 HB3 GLN A 58 15.023 6.281 39.470 1.00 0.00 H ATOM 888 HG2 GLN A 58 13.873 7.259 41.542 1.00 0.00 H ATOM 889 HG3 GLN A 58 14.464 5.830 42.421 1.00 0.00 H ATOM 890 HE22 GLN A 58 16.866 5.610 42.822 1.00 0.00 H ATOM 891 HE21 GLN A 58 17.966 6.972 42.396 1.00 0.00 H ATOM 892 H GLN A 58 13.105 3.829 41.548 1.00 0.00 H ATOM 893 N GLY A 59 12.224 3.874 38.118 1.00 12.68 N ATOM 894 CA GLY A 59 12.017 3.535 36.703 1.00 12.49 C ATOM 895 C GLY A 59 13.198 2.850 36.003 1.00 12.39 C ATOM 896 O GLY A 59 14.318 2.954 36.528 1.00 13.13 O ATOM 897 HA3 GLY A 59 11.799 4.458 36.166 1.00 0.00 H ATOM 898 HA2 GLY A 59 11.158 2.868 36.641 1.00 0.00 H ATOM 899 H GLY A 59 11.763 3.288 38.843 1.00 0.00 H ATOM 900 N PRO A 60 12.971 2.185 34.835 1.00 11.16 N ATOM 901 CA PRO A 60 14.030 1.582 34.033 1.00 10.73 C ATOM 902 C PRO A 60 15.411 2.206 34.081 1.00 11.66 C ATOM 903 O PRO A 60 15.653 3.413 34.001 1.00 11.39 O ATOM 904 CB PRO A 60 13.530 1.607 32.576 1.00 10.15 C ATOM 905 CG PRO A 60 12.063 1.835 32.661 1.00 10.00 C ATOM 906 CD PRO A 60 11.702 2.246 34.083 1.00 10.00 C ATOM 907 HA PRO A 60 14.194 0.593 34.461 1.00 0.00 H ATOM 908 HD3 PRO A 60 11.296 3.258 34.098 1.00 0.00 H ATOM 909 HD2 PRO A 60 10.972 1.557 34.507 1.00 0.00 H ATOM 910 HG3 PRO A 60 11.535 0.917 32.401 1.00 0.00 H ATOM 911 HG2 PRO A 60 11.776 2.626 31.968 1.00 0.00 H ATOM 912 HB2 PRO A 60 14.010 2.414 32.023 1.00 0.00 H ATOM 913 HB3 PRO A 60 13.740 0.657 32.085 1.00 0.00 H ATOM 914 N TRP A 61 16.400 1.308 34.021 1.00 11.13 N ATOM 915 CA TRP A 61 17.823 1.515 34.114 1.00 10.20 C ATOM 916 C TRP A 61 18.396 0.317 33.306 1.00 10.31 C ATOM 917 O TRP A 61 17.621 -0.567 32.940 1.00 10.00 O ATOM 918 CB TRP A 61 18.210 1.510 35.610 1.00 10.00 C ATOM 919 CG TRP A 61 17.949 0.191 36.298 1.00 10.00 C ATOM 920 CD1 TRP A 61 16.870 -0.104 37.071 1.00 10.00 C ATOM 921 CD2 TRP A 61 18.722 -1.053 36.222 1.00 10.00 C ATOM 922 NE1 TRP A 61 16.986 -1.361 37.626 1.00 10.18 N ATOM 923 CE2 TRP A 61 18.103 -1.968 37.091 1.00 10.32 C ATOM 924 CE3 TRP A 61 19.985 -1.361 35.725 1.00 10.00 C ATOM 925 CZ2 TRP A 61 18.567 -3.281 37.263 1.00 11.04 C ATOM 926 CZ3 TRP A 61 20.590 -2.573 36.060 1.00 10.00 C ATOM 927 CH2 TRP A 61 19.855 -3.565 36.761 1.00 10.00 C ATOM 928 HA TRP A 61 18.202 2.458 33.720 1.00 0.00 H ATOM 929 HB2 TRP A 61 19.273 1.737 35.692 1.00 0.00 H ATOM 930 HB3 TRP A 61 17.634 2.284 36.118 1.00 0.00 H ATOM 931 HE1 TRP A 61 16.342 -1.779 38.327 1.00 0.00 H ATOM 932 HD1 TRP A 61 16.025 0.565 37.231 1.00 0.00 H ATOM 933 HZ2 TRP A 61 17.964 -4.042 37.759 1.00 0.00 H ATOM 934 HH2 TRP A 61 20.289 -4.553 36.913 1.00 0.00 H ATOM 935 HZ3 TRP A 61 21.628 -2.758 35.783 1.00 0.00 H ATOM 936 HE3 TRP A 61 20.502 -0.656 35.074 1.00 0.00 H ATOM 937 H TRP A 61 16.100 0.321 33.889 1.00 0.00 H ATOM 938 N CYS A 62 19.733 0.272 33.236 1.00 10.84 N ATOM 939 CA CYS A 62 20.450 -0.842 32.571 1.00 11.23 C ATOM 940 C CYS A 62 21.880 -0.817 33.080 1.00 11.98 C ATOM 941 O CYS A 62 22.271 0.231 33.693 1.00 12.36 O ATOM 942 CB CYS A 62 20.340 -0.580 31.054 1.00 14.74 C ATOM 943 SG CYS A 62 21.412 0.821 30.478 1.00 15.83 S ATOM 944 HA CYS A 62 20.042 -1.831 32.781 1.00 0.00 H ATOM 945 HB2 CYS A 62 19.303 -0.344 30.817 1.00 0.00 H ATOM 946 HB3 CYS A 62 20.636 -1.485 30.523 1.00 0.00 H ATOM 947 H CYS A 62 20.286 1.043 33.662 1.00 0.00 H ATOM 948 N TYR A 63 22.668 -1.862 32.825 1.00 10.39 N ATOM 949 CA TYR A 63 24.107 -1.810 33.109 1.00 11.50 C ATOM 950 C TYR A 63 24.624 -0.991 31.888 1.00 11.50 C ATOM 951 O TYR A 63 24.111 -1.109 30.769 1.00 10.89 O ATOM 952 CB TYR A 63 24.843 -3.135 33.391 1.00 11.39 C ATOM 953 CG TYR A 63 24.268 -3.975 34.540 1.00 13.37 C ATOM 954 CD1 TYR A 63 23.155 -4.852 34.390 1.00 14.25 C ATOM 955 CD2 TYR A 63 24.712 -3.734 35.848 1.00 12.95 C ATOM 956 CE1 TYR A 63 22.571 -5.536 35.483 1.00 16.99 C ATOM 957 CE2 TYR A 63 24.180 -4.411 36.949 1.00 15.02 C ATOM 958 CZ TYR A 63 23.102 -5.311 36.777 1.00 17.13 C ATOM 959 OH TYR A 63 22.534 -5.938 37.866 1.00 15.59 O ATOM 960 HA TYR A 63 24.316 -1.359 34.079 1.00 0.00 H ATOM 961 HB3 TYR A 63 25.880 -2.900 33.632 1.00 0.00 H ATOM 962 HB2 TYR A 63 24.810 -3.738 32.484 1.00 0.00 H ATOM 963 HD2 TYR A 63 25.497 -2.995 36.011 1.00 0.00 H ATOM 964 HE2 TYR A 63 24.597 -4.245 37.942 1.00 0.00 H ATOM 965 HE1 TYR A 63 21.734 -6.218 35.333 1.00 0.00 H ATOM 966 HD1 TYR A 63 22.737 -5.002 33.395 1.00 0.00 H ATOM 967 HH TYR A 63 22.175 -5.256 38.488 1.00 0.00 H ATOM 968 H TYR A 63 22.257 -2.727 32.419 1.00 0.00 H ATOM 969 N THR A 64 25.618 -0.171 32.078 1.00 11.58 N ATOM 970 CA THR A 64 26.336 0.782 31.274 1.00 11.32 C ATOM 971 C THR A 64 27.658 0.240 30.681 1.00 12.14 C ATOM 972 O THR A 64 28.374 -0.620 31.247 1.00 10.77 O ATOM 973 CB THR A 64 26.736 2.003 32.248 1.00 13.20 C ATOM 974 OG1 THR A 64 25.679 3.050 32.168 1.00 11.38 O ATOM 975 CG2 THR A 64 28.181 2.514 32.198 1.00 10.00 C ATOM 976 HA THR A 64 25.690 1.055 30.440 1.00 0.00 H ATOM 977 HB THR A 64 26.758 1.595 33.259 1.00 0.00 H ATOM 978 HG1 THR A 64 25.917 3.804 32.764 1.00 0.00 H ATOM 979 HG23 THR A 64 28.866 1.669 32.264 1.00 0.00 H ATOM 980 HG21 THR A 64 28.345 3.045 31.260 1.00 0.00 H ATOM 981 HG22 THR A 64 28.355 3.190 33.035 1.00 0.00 H ATOM 982 H THR A 64 25.983 -0.216 33.051 1.00 0.00 H ATOM 983 N THR A 65 27.892 0.821 29.499 1.00 10.52 N ATOM 984 CA THR A 65 29.126 0.538 28.780 1.00 10.13 C ATOM 985 C THR A 65 30.212 1.498 29.247 1.00 10.00 C ATOM 986 O THR A 65 31.354 1.488 28.753 1.00 10.00 O ATOM 987 CB THR A 65 28.983 0.436 27.226 1.00 10.00 C ATOM 988 OG1 THR A 65 28.530 1.787 26.842 1.00 10.00 O ATOM 989 CG2 THR A 65 28.097 -0.780 26.817 1.00 10.00 C ATOM 990 HA THR A 65 29.428 -0.477 29.038 1.00 0.00 H ATOM 991 HB THR A 65 29.895 0.202 26.677 1.00 0.00 H ATOM 992 HG1 THR A 65 27.670 1.985 27.291 1.00 0.00 H ATOM 993 HG23 THR A 65 28.561 -1.701 27.169 1.00 0.00 H ATOM 994 HG21 THR A 65 27.109 -0.675 27.265 1.00 0.00 H ATOM 995 HG22 THR A 65 28.004 -0.811 25.731 1.00 0.00 H ATOM 996 H THR A 65 27.192 1.475 29.094 1.00 0.00 H ATOM 997 N ASP A 66 29.850 2.215 30.330 1.00 11.07 N ATOM 998 CA ASP A 66 30.913 3.007 31.014 1.00 10.92 C ATOM 999 C ASP A 66 31.435 2.026 32.080 1.00 10.89 C ATOM 1000 O ASP A 66 30.665 1.514 32.907 1.00 10.46 O ATOM 1001 CB ASP A 66 30.388 4.368 31.456 1.00 12.83 C ATOM 1002 CG ASP A 66 31.425 5.166 32.286 1.00 14.30 C ATOM 1003 OD1 ASP A 66 32.584 4.655 32.288 1.00 11.67 O ATOM 1004 OD2 ASP A 66 31.070 6.079 33.089 1.00 13.55 O ATOM 1005 HA ASP A 66 31.754 3.329 30.400 1.00 0.00 H ATOM 1006 HB2 ASP A 66 30.129 4.947 30.570 1.00 0.00 H ATOM 1007 HB3 ASP A 66 29.495 4.218 32.063 1.00 0.00 H ATOM 1008 H ASP A 66 28.869 2.216 30.675 1.00 0.00 H ATOM 1009 N PRO A 67 32.722 1.639 31.993 1.00 11.72 N ATOM 1010 CA PRO A 67 33.324 0.731 32.957 1.00 11.42 C ATOM 1011 C PRO A 67 33.339 1.355 34.361 1.00 12.43 C ATOM 1012 O PRO A 67 32.850 0.655 35.262 1.00 12.35 O ATOM 1013 CB PRO A 67 34.696 0.421 32.437 1.00 12.33 C ATOM 1014 CG PRO A 67 34.947 1.359 31.279 1.00 13.21 C ATOM 1015 CD PRO A 67 33.695 2.134 31.027 1.00 11.55 C ATOM 1016 HA PRO A 67 32.752 -0.191 33.064 1.00 0.00 H ATOM 1017 HD3 PRO A 67 33.871 3.199 31.176 1.00 0.00 H ATOM 1018 HD2 PRO A 67 33.341 1.964 30.010 1.00 0.00 H ATOM 1019 HG3 PRO A 67 35.212 0.786 30.390 1.00 0.00 H ATOM 1020 HG2 PRO A 67 35.760 2.041 31.526 1.00 0.00 H ATOM 1021 HB2 PRO A 67 35.439 0.582 33.218 1.00 0.00 H ATOM 1022 HB3 PRO A 67 34.744 -0.614 32.099 1.00 0.00 H ATOM 1023 N GLU A 68 33.676 2.641 34.579 1.00 11.85 N ATOM 1024 CA GLU A 68 33.644 3.197 35.945 1.00 10.64 C ATOM 1025 C GLU A 68 32.269 3.680 36.396 1.00 10.29 C ATOM 1026 O GLU A 68 32.130 4.198 37.497 1.00 10.00 O ATOM 1027 CB GLU A 68 34.622 4.329 36.220 1.00 13.64 C ATOM 1028 CG GLU A 68 36.092 4.079 35.938 1.00 15.16 C ATOM 1029 CD GLU A 68 36.290 3.656 34.498 1.00 19.36 C ATOM 1030 OE1 GLU A 68 35.261 3.927 33.837 1.00 20.57 O ATOM 1031 OE2 GLU A 68 37.284 3.093 34.023 1.00 21.10 O ATOM 1032 HA GLU A 68 33.947 2.322 36.520 1.00 0.00 H ATOM 1033 HB2 GLU A 68 34.314 5.180 35.612 1.00 0.00 H ATOM 1034 HB3 GLU A 68 34.533 4.587 37.275 1.00 0.00 H ATOM 1035 HG2 GLU A 68 36.654 4.994 36.124 1.00 0.00 H ATOM 1036 HG3 GLU A 68 36.455 3.291 36.597 1.00 0.00 H ATOM 1037 H GLU A 68 33.960 3.244 33.781 1.00 0.00 H ATOM 1038 N LYS A 69 31.222 3.162 35.774 1.00 10.00 N ATOM 1039 CA LYS A 69 29.802 3.359 36.074 1.00 10.00 C ATOM 1040 C LYS A 69 28.898 2.148 35.862 1.00 10.04 C ATOM 1041 O LYS A 69 28.365 1.868 34.773 1.00 10.00 O ATOM 1042 CB LYS A 69 29.468 4.477 35.084 1.00 10.43 C ATOM 1043 CG LYS A 69 28.054 4.616 34.732 1.00 10.00 C ATOM 1044 CD LYS A 69 27.273 4.762 36.059 1.00 10.00 C ATOM 1045 CE LYS A 69 26.048 5.583 35.571 1.00 13.49 C ATOM 1046 NZ LYS A 69 26.633 6.539 34.563 1.00 12.56 N ATOM 1047 HA LYS A 69 29.633 3.569 37.130 1.00 0.00 H ATOM 1048 HB2 LYS A 69 29.798 5.420 35.520 1.00 0.00 H ATOM 1049 HB3 LYS A 69 30.024 4.288 34.166 1.00 0.00 H ATOM 1050 HG2 LYS A 69 27.907 5.500 34.111 1.00 0.00 H ATOM 1051 HG3 LYS A 69 27.713 3.733 34.191 1.00 0.00 H ATOM 1052 HD2 LYS A 69 26.976 3.793 36.461 1.00 0.00 H ATOM 1053 HD3 LYS A 69 27.849 5.304 36.809 1.00 0.00 H ATOM 1054 HE2 LYS A 69 25.588 6.124 36.398 1.00 0.00 H ATOM 1055 HE3 LYS A 69 25.306 4.934 35.106 1.00 0.00 H ATOM 1056 HZ1 LYS A 69 27.347 7.136 35.027 1.00 0.00 H ATOM 1057 HZ2 LYS A 69 27.077 6.000 33.793 1.00 0.00 H ATOM 1058 HZ3 LYS A 69 25.877 7.139 34.176 1.00 0.00 H ATOM 1059 H LYS A 69 31.434 2.536 34.971 1.00 0.00 H ATOM 1060 N ARG A 70 28.592 1.415 36.935 1.00 10.84 N ATOM 1061 CA ARG A 70 27.874 0.147 36.926 1.00 12.23 C ATOM 1062 C ARG A 70 26.470 0.219 36.320 1.00 12.56 C ATOM 1063 O ARG A 70 26.223 -0.655 35.409 1.00 12.45 O ATOM 1064 CB ARG A 70 28.032 -0.802 38.163 1.00 12.84 C ATOM 1065 CG ARG A 70 27.001 -1.915 38.218 1.00 13.66 C ATOM 1066 CD ARG A 70 26.732 -2.581 39.561 1.00 16.20 C ATOM 1067 NE ARG A 70 27.611 -3.765 39.640 1.00 19.10 N ATOM 1068 CZ ARG A 70 27.184 -4.905 39.053 1.00 20.29 C ATOM 1069 NH1 ARG A 70 25.863 -5.149 38.959 1.00 20.88 N ATOM 1070 NH2 ARG A 70 28.022 -5.917 38.943 1.00 21.76 N ATOM 1071 HA ARG A 70 28.461 -0.418 36.201 1.00 0.00 H ATOM 1072 HB2 ARG A 70 29.023 -1.253 38.126 1.00 0.00 H ATOM 1073 HB3 ARG A 70 27.941 -0.204 39.069 1.00 0.00 H ATOM 1074 HG2 ARG A 70 26.056 -1.498 37.869 1.00 0.00 H ATOM 1075 HG3 ARG A 70 27.329 -2.694 37.530 1.00 0.00 H ATOM 1076 HD2 ARG A 70 25.687 -2.885 39.626 1.00 0.00 H ATOM 1077 HD3 ARG A 70 26.959 -1.891 40.374 1.00 0.00 H ATOM 1078 HE ARG A 70 28.527 -3.723 40.130 1.00 0.00 H ATOM 1079 HH12 ARG A 70 25.527 -6.024 38.509 1.00 0.00 H ATOM 1080 HH11 ARG A 70 25.179 -4.462 39.337 1.00 0.00 H ATOM 1081 HH22 ARG A 70 27.712 -6.803 38.494 1.00 0.00 H ATOM 1082 HH21 ARG A 70 28.993 -5.830 39.305 1.00 0.00 H ATOM 1083 H ARG A 70 28.893 1.782 37.860 1.00 0.00 H ATOM 1084 N TYR A 71 25.589 1.084 36.725 1.00 12.44 N ATOM 1085 CA TYR A 71 24.311 1.231 36.048 1.00 12.44 C ATOM 1086 C TYR A 71 24.003 2.742 36.027 1.00 14.54 C ATOM 1087 O TYR A 71 24.912 3.559 36.325 1.00 13.22 O ATOM 1088 CB TYR A 71 23.127 0.436 36.642 1.00 14.87 C ATOM 1089 CG TYR A 71 22.773 0.797 38.061 1.00 14.69 C ATOM 1090 CD1 TYR A 71 23.714 0.613 39.085 1.00 15.15 C ATOM 1091 CD2 TYR A 71 21.660 1.603 38.312 1.00 15.11 C ATOM 1092 CE1 TYR A 71 23.451 1.098 40.375 1.00 16.01 C ATOM 1093 CE2 TYR A 71 21.348 2.052 39.595 1.00 15.73 C ATOM 1094 CZ TYR A 71 22.239 1.749 40.633 1.00 16.68 C ATOM 1095 OH TYR A 71 21.908 2.155 41.904 1.00 16.88 O ATOM 1096 HA TYR A 71 24.414 0.798 35.053 1.00 0.00 H ATOM 1097 HB3 TYR A 71 23.382 -0.623 36.615 1.00 0.00 H ATOM 1098 HB2 TYR A 71 22.251 0.614 36.018 1.00 0.00 H ATOM 1099 HD2 TYR A 71 21.016 1.890 37.480 1.00 0.00 H ATOM 1100 HE2 TYR A 71 20.438 2.622 39.785 1.00 0.00 H ATOM 1101 HE1 TYR A 71 24.185 0.969 41.170 1.00 0.00 H ATOM 1102 HD1 TYR A 71 24.650 0.093 38.878 1.00 0.00 H ATOM 1103 HH TYR A 71 22.620 1.878 42.534 1.00 0.00 H ATOM 1104 H TYR A 71 25.802 1.682 37.549 1.00 0.00 H ATOM 1105 N ASP A 72 22.729 2.976 35.667 1.00 13.77 N ATOM 1106 CA ASP A 72 22.176 4.342 35.655 1.00 14.23 C ATOM 1107 C ASP A 72 20.757 4.146 35.117 1.00 13.40 C ATOM 1108 O ASP A 72 20.504 3.142 34.396 1.00 13.21 O ATOM 1109 CB ASP A 72 23.004 5.357 34.886 1.00 14.87 C ATOM 1110 CG ASP A 72 22.567 6.798 35.096 1.00 17.73 C ATOM 1111 OD1 ASP A 72 21.506 7.052 35.698 1.00 13.22 O ATOM 1112 OD2 ASP A 72 23.350 7.738 34.731 1.00 20.84 O ATOM 1113 HA ASP A 72 22.184 4.794 36.647 1.00 0.00 H ATOM 1114 HB2 ASP A 72 24.043 5.264 35.204 1.00 0.00 H ATOM 1115 HB3 ASP A 72 22.928 5.127 33.823 1.00 0.00 H ATOM 1116 H ASP A 72 22.122 2.178 35.392 1.00 0.00 H ATOM 1117 N TYR A 73 19.898 5.083 35.438 1.00 13.00 N ATOM 1118 CA TYR A 73 18.508 5.039 34.905 1.00 12.97 C ATOM 1119 C TYR A 73 18.444 5.747 33.523 1.00 14.13 C ATOM 1120 O TYR A 73 19.352 6.454 33.033 1.00 13.85 O ATOM 1121 CB TYR A 73 17.473 5.595 35.877 1.00 12.97 C ATOM 1122 CG TYR A 73 17.608 5.075 37.287 1.00 15.80 C ATOM 1123 CD1 TYR A 73 18.762 5.325 38.023 1.00 17.79 C ATOM 1124 CD2 TYR A 73 16.651 4.248 37.887 1.00 17.47 C ATOM 1125 CE1 TYR A 73 18.903 4.881 39.342 1.00 16.21 C ATOM 1126 CE2 TYR A 73 16.760 3.813 39.219 1.00 17.89 C ATOM 1127 CZ TYR A 73 17.888 4.173 39.957 1.00 15.92 C ATOM 1128 OH TYR A 73 18.163 3.711 41.213 1.00 13.65 O ATOM 1129 HA TYR A 73 18.244 3.989 34.774 1.00 0.00 H ATOM 1130 HB3 TYR A 73 16.481 5.332 35.509 1.00 0.00 H ATOM 1131 HB2 TYR A 73 17.574 6.680 35.901 1.00 0.00 H ATOM 1132 HD2 TYR A 73 15.790 3.930 37.300 1.00 0.00 H ATOM 1133 HE2 TYR A 73 15.976 3.204 39.668 1.00 0.00 H ATOM 1134 HE1 TYR A 73 19.821 5.095 39.889 1.00 0.00 H ATOM 1135 HD1 TYR A 73 19.577 5.881 37.560 1.00 0.00 H ATOM 1136 HH TYR A 73 19.014 4.105 41.529 1.00 0.00 H ATOM 1137 H TYR A 73 20.188 5.859 36.067 1.00 0.00 H ATOM 1138 N CYS A 74 17.459 5.280 32.829 1.00 13.63 N ATOM 1139 CA CYS A 74 17.007 5.602 31.499 1.00 16.34 C ATOM 1140 C CYS A 74 15.739 6.495 31.720 1.00 19.07 C ATOM 1141 O CYS A 74 15.071 6.473 32.790 1.00 19.29 O ATOM 1142 CB CYS A 74 16.661 4.354 30.692 1.00 14.95 C ATOM 1143 SG CYS A 74 17.939 3.014 30.767 1.00 14.92 S ATOM 1144 HA CYS A 74 17.783 6.108 30.924 1.00 0.00 H ATOM 1145 HB2 CYS A 74 16.534 4.646 29.650 1.00 0.00 H ATOM 1146 HB3 CYS A 74 15.722 3.951 31.072 1.00 0.00 H ATOM 1147 H CYS A 74 16.898 4.549 33.311 1.00 0.00 H ATOM 1148 N ASP A 75 15.523 7.328 30.700 1.00 19.92 N ATOM 1149 CA ASP A 75 14.494 8.347 30.648 1.00 20.65 C ATOM 1150 C ASP A 75 13.343 7.940 29.733 1.00 21.72 C ATOM 1151 O ASP A 75 13.366 8.273 28.517 1.00 21.00 O ATOM 1152 CB ASP A 75 15.137 9.630 30.095 1.00 24.74 C ATOM 1153 CG ASP A 75 14.662 10.811 30.912 1.00 26.87 C ATOM 1154 OD1 ASP A 75 13.502 10.792 31.349 1.00 28.96 O ATOM 1155 OD2 ASP A 75 15.528 11.689 31.137 1.00 29.91 O ATOM 1156 HA ASP A 75 14.089 8.494 31.649 1.00 0.00 H ATOM 1157 HB2 ASP A 75 16.222 9.553 30.161 1.00 0.00 H ATOM 1158 HB3 ASP A 75 14.846 9.765 29.053 1.00 0.00 H ATOM 1159 H ASP A 75 16.146 7.238 29.872 1.00 0.00 H ATOM 1160 N ILE A 76 12.429 7.217 30.385 1.00 22.47 N ATOM 1161 CA ILE A 76 11.270 6.691 29.624 1.00 22.15 C ATOM 1162 C ILE A 76 10.109 7.605 29.964 1.00 23.60 C ATOM 1163 O ILE A 76 10.025 8.025 31.137 1.00 23.78 O ATOM 1164 CB ILE A 76 11.096 5.163 29.873 1.00 21.83 C ATOM 1165 CG1 ILE A 76 12.344 4.390 29.372 1.00 19.49 C ATOM 1166 CG2 ILE A 76 9.787 4.582 29.254 1.00 18.97 C ATOM 1167 CD1 ILE A 76 13.754 5.037 29.527 1.00 21.52 C ATOM 1168 HA ILE A 76 11.386 6.719 28.541 1.00 0.00 H ATOM 1169 HB ILE A 76 11.001 5.028 30.950 1.00 0.00 H ATOM 1170 HG12 ILE A 76 12.368 3.442 29.909 1.00 0.00 H ATOM 1171 HG13 ILE A 76 12.196 4.201 28.309 1.00 0.00 H ATOM 1172 HD11 ILE A 76 13.782 5.980 28.981 1.00 0.00 H ATOM 1173 HD12 ILE A 76 13.954 5.221 30.583 1.00 0.00 H ATOM 1174 HD13 ILE A 76 14.509 4.361 29.125 1.00 0.00 H ATOM 1175 HG21 ILE A 76 8.925 5.087 29.690 1.00 0.00 H ATOM 1176 HG22 ILE A 76 9.795 4.741 28.176 1.00 0.00 H ATOM 1177 HG23 ILE A 76 9.730 3.514 29.465 1.00 0.00 H ATOM 1178 H ILE A 76 12.528 7.027 31.403 1.00 0.00 H ATOM 1179 N LEU A 77 9.531 8.058 28.868 1.00 24.26 N ATOM 1180 CA LEU A 77 8.349 8.927 28.941 1.00 26.49 C ATOM 1181 C LEU A 77 7.173 8.147 29.506 1.00 27.58 C ATOM 1182 O LEU A 77 7.030 6.932 29.258 1.00 27.13 O ATOM 1183 CB LEU A 77 8.253 9.588 27.531 1.00 27.82 C ATOM 1184 CG LEU A 77 9.509 10.461 27.208 1.00 27.25 C ATOM 1185 CD1 LEU A 77 10.749 9.551 27.125 1.00 27.60 C ATOM 1186 CD2 LEU A 77 9.426 11.250 25.894 1.00 24.54 C ATOM 1187 HA LEU A 77 8.386 9.755 29.649 1.00 0.00 H ATOM 1188 HB2 LEU A 77 8.166 8.804 26.779 1.00 0.00 H ATOM 1189 HB3 LEU A 77 7.366 10.221 27.498 1.00 0.00 H ATOM 1190 HG LEU A 77 9.569 11.190 28.016 1.00 0.00 H ATOM 1191 HD21 LEU A 77 9.303 10.556 25.062 1.00 0.00 H ATOM 1192 HD22 LEU A 77 8.573 11.928 25.932 1.00 0.00 H ATOM 1193 HD23 LEU A 77 10.343 11.824 25.758 1.00 0.00 H ATOM 1194 HD11 LEU A 77 10.890 9.044 28.079 1.00 0.00 H ATOM 1195 HD12 LEU A 77 10.604 8.812 26.337 1.00 0.00 H ATOM 1196 HD13 LEU A 77 11.627 10.156 26.900 1.00 0.00 H ATOM 1197 H LEU A 77 9.918 7.796 27.939 1.00 0.00 H ATOM 1198 N GLU A 78 6.326 8.833 30.291 1.00 28.82 N ATOM 1199 CA GLU A 78 5.186 8.157 30.914 1.00 29.49 C ATOM 1200 C GLU A 78 3.989 7.837 30.034 1.00 29.87 C ATOM 1201 O GLU A 78 3.544 8.357 29.005 1.00 30.78 O ATOM 1202 CB GLU A 78 4.672 8.748 32.229 1.00 30.08 C ATOM 1203 CG GLU A 78 5.141 7.999 33.480 1.00 31.31 C ATOM 1204 CD GLU A 78 4.379 6.789 33.915 1.00 32.18 C ATOM 1205 OE1 GLU A 78 3.231 6.828 34.352 1.00 32.90 O ATOM 1206 OE2 GLU A 78 5.045 5.719 33.876 1.00 32.47 O ATOM 1207 HA GLU A 78 5.695 7.217 31.128 1.00 0.00 H ATOM 1208 HB2 GLU A 78 5.017 9.780 32.298 1.00 0.00 H ATOM 1209 HB3 GLU A 78 3.582 8.731 32.209 1.00 0.00 H ATOM 1210 HG2 GLU A 78 6.169 7.685 33.301 1.00 0.00 H ATOM 1211 HG3 GLU A 78 5.118 8.708 34.307 1.00 0.00 H ATOM 1212 H GLU A 78 6.480 9.848 30.457 1.00 0.00 H ATOM 1213 N CYS A 79 3.400 6.784 30.550 1.00 29.78 N ATOM 1214 CA CYS A 79 2.306 5.937 30.090 1.00 29.91 C ATOM 1215 C CYS A 79 1.321 5.640 31.217 1.00 30.70 C ATOM 1216 O CYS A 79 0.194 6.215 31.239 1.00 31.12 O ATOM 1217 CB CYS A 79 3.094 4.689 29.659 1.00 26.31 C ATOM 1218 SG CYS A 79 2.476 3.776 28.286 1.00 24.39 S ATOM 1219 HA CYS A 79 1.681 6.367 29.307 1.00 0.00 H ATOM 1220 HB2 CYS A 79 3.129 4.013 30.513 1.00 0.00 H ATOM 1221 HB3 CYS A 79 4.105 5.010 29.410 1.00 0.00 H ATOM 1222 H CYS A 79 3.791 6.497 31.470 1.00 0.00 H TER 1223 CYS A 79 HETATM 1224 O HOH 1 10.671 0.904 21.956 1.00 20.18 O HETATM 1225 O HOH 2 21.156 -9.673 26.130 1.00 19.39 O HETATM 1226 O HOH 3 3.454 -0.209 29.563 1.00 25.18 O HETATM 1227 O HOH 4 8.684 -10.115 29.532 1.00 18.28 O HETATM 1228 O HOH 5 9.045 5.140 38.554 1.00 21.80 O HETATM 1229 O HOH 6 8.374 -7.459 23.998 1.00 16.93 O HETATM 1230 O HOH 7 17.691 13.874 30.588 1.00 26.86 O HETATM 1231 O HOH 8 14.129 -11.722 31.260 1.00 11.99 O HETATM 1232 O HOH 9 34.115 -6.507 36.630 1.00 21.22 O HETATM 1233 O HOH 10 21.895 -4.053 31.021 1.00 11.40 O HETATM 1234 O HOH 11 26.425 -2.451 24.368 1.00 12.64 O HETATM 1235 O HOH 12 4.789 -0.916 39.505 1.00 21.76 O HETATM 1236 O HOH 13 18.765 -11.282 26.588 1.00 15.08 O HETATM 1237 O HOH 14 21.814 -10.635 22.522 1.00 30.89 O HETATM 1238 O HOH 15 9.767 -2.774 45.222 1.00 16.48 O HETATM 1239 O HOH 16 4.971 -0.760 34.843 1.00 15.05 O HETATM 1240 O HOH 17 17.917 11.301 27.940 1.00 18.78 O HETATM 1241 O HOH 18 25.727 -9.915 25.711 1.00 17.48 O HETATM 1242 O HOH 19 -1.013 3.353 32.464 1.00 28.98 O HETATM 1243 O HOH 20 15.630 -16.919 30.673 1.00 21.73 O HETATM 1244 O HOH 21 11.789 -5.804 34.191 1.00 33.10 O HETATM 1245 O HOH 22 17.504 4.289 22.780 1.00 17.48 O HETATM 1246 O HOH 23 9.966 -6.202 41.519 1.00 15.99 O HETATM 1247 O HOH 24 6.541 -9.051 31.335 1.00 27.06 O HETATM 1248 O HOH 25 26.256 7.034 38.046 1.00 26.95 O HETATM 1249 O HOH 26 11.268 -5.395 23.238 1.00 25.42 O HETATM 1250 O HOH 27 10.145 -9.724 21.515 1.00 30.05 O HETATM 1251 O HOH 28 25.187 -14.467 35.913 1.00 27.70 O HETATM 1252 O HOH 29 19.817 4.818 42.969 1.00 23.90 O HETATM 1253 O HOH 30 22.510 -12.340 36.927 1.00 20.84 O HETATM 1254 O HOH 31 11.182 7.727 36.223 1.00 25.07 O HETATM 1255 O HOH 32 26.005 3.293 39.498 1.00 26.42 O HETATM 1256 O HOH 33 30.651 -6.111 37.851 1.00 19.04 O HETATM 1257 O HOH 34 37.538 2.020 31.838 1.00 20.74 O HETATM 1258 O HOH 35 15.669 9.181 27.291 1.00 25.17 O HETATM 1259 O HOH 36 26.229 6.461 42.062 1.00 32.58 O HETATM 1260 O HOH 37 25.571 -11.511 31.698 1.00 27.82 O HETATM 1261 O HOH 38 29.802 -0.945 42.238 1.00 26.58 O HETATM 1262 O HOH 39 33.490 -1.060 28.165 1.00 27.50 O HETATM 1263 O HOH 40 7.141 -7.530 34.822 1.00 19.48 O HETATM 1264 O HOH 41 13.678 -9.750 20.781 1.00 15.93 O HETATM 1265 O HOH 42 36.210 -5.991 29.273 1.00 20.57 O HETATM 1266 O HOH 43 12.189 -4.579 44.772 1.00 26.92 O HETATM 1267 O HOH 44 11.450 -14.583 37.033 1.00 29.70 O HETATM 1268 O HOH 45 22.410 -12.936 40.318 1.00 17.98 O HETATM 1269 O HOH 46 31.040 -11.478 39.068 1.00 16.05 O HETATM 1270 O HOH 47 9.119 -4.063 22.216 1.00 22.36 O HETATM 1271 O HOH 48 4.105 3.410 22.034 1.00 28.38 O HETATM 1272 O HOH 49 10.626 -9.572 27.093 1.00 23.28 O HETATM 1273 O HOH 50 6.597 -1.994 22.421 1.00 20.86 O HETATM 1274 O HOH 51 30.580 -8.447 25.578 1.00 20.39 O HETATM 1275 O HOH 52 25.541 -3.060 42.612 1.00 28.31 O HETATM 1276 O HOH 53 6.934 -16.365 34.473 1.00 25.56 O HETATM 1277 O HOH 54 2.694 -2.108 32.394 1.00 24.24 O HETATM 1278 O HOH 55 5.246 -0.091 31.987 1.00 25.13 O HETATM 1279 O HOH 56 11.293 -11.724 27.714 1.00 26.77 O HETATM 1280 O HOH 57 0.004 7.615 28.672 1.00 27.33 O HETATM 1281 O HOH 58 17.308 7.420 28.785 1.00 24.56 O HETATM 1282 O HOH 59 21.079 13.523 31.605 1.00 26.05 O HETATM 1283 O HOH 60 26.383 -5.525 20.422 1.00 24.30 O HETATM 1284 O HOH 61 5.603 11.600 26.453 1.00 23.12 O HETATM 1285 O HOH 62 29.640 8.374 34.154 1.00 26.56 O HETATM 1286 O HOH 63 6.023 -14.713 32.180 1.00 22.54 O HETATM 1287 O HOH 64 15.002 8.159 35.988 1.00 27.67 O HETATM 1288 O HOH 65 38.158 0.130 33.275 1.00 26.67 O HETATM 1289 O HOH 66 16.819 -3.892 44.598 1.00 24.45 O HETATM 1290 O HOH 67 5.992 10.991 30.105 1.00 25.34 O HETATM 1291 O HOH 68 1.966 -3.741 28.906 1.00 23.12 O HETATM 1292 O HOH 69 33.198 -10.018 36.862 1.00 24.23 O HETATM 1293 O HOH 70 17.334 0.972 20.758 1.00 27.65 O HETATM 1294 O HOH 71 19.615 8.849 39.543 1.00 24.06 O HETATM 1295 O HOH 72 22.350 0.218 22.278 1.00 28.87 O HETATM 1296 O HOH 73 0.750 -6.354 32.576 1.00 32.02 O HETATM 1297 O HOH 74 7.747 6.394 42.105 1.00 26.12 O HETATM 1298 O HOH 75 2.683 -6.720 30.606 1.00 27.23 O HETATM 1299 O HOH 76 6.342 -1.408 26.871 1.00 31.43 O HETATM 1300 O HOH 77 14.707 -13.633 28.507 1.00 25.56 O HETATM 1301 O HOH 78 34.494 -11.556 38.477 1.00 24.54 O HETATM 1302 O HOH 79 3.318 -2.162 37.960 1.00 23.67 O HETATM 1303 O HOH 80 9.995 6.507 25.444 1.00 25.56 O HETATM 1304 O HOH 81 20.851 -12.622 25.398 1.00 26.23 O HETATM 1305 C1 AMH A 82 21.909 -3.567 40.823 1.00 0.01 C HETATM 1306 C8 AMH A 82 23.001 -4.615 40.747 1.00 0.04 C HETATM 1307 O2 AMH A 82 22.578 -5.763 40.366 1.00 -0.57 O HETATM 1308 O1 AMH A 82 24.200 -4.464 40.957 1.00 -0.57 O HETATM 1309 C6 AMH A 82 21.041 -3.686 42.022 1.00 -0.04 C HETATM 1310 C5 AMH A 82 19.730 -2.992 41.789 1.00 -0.04 C HETATM 1311 C4 AMH A 82 19.841 -1.657 41.062 1.00 -0.00 C HETATM 1312 C3 AMH A 82 20.743 -1.600 39.902 1.00 -0.04 C HETATM 1313 C2 AMH A 82 22.052 -2.298 40.092 1.00 -0.04 C HETATM 1314 H2 AMH A 82 22.488 -2.506 39.104 1.00 0.03 H HETATM 1315 H3 AMH A 82 22.726 -1.638 40.658 1.00 0.03 H HETATM 1316 H4 AMH A 82 20.230 -2.062 39.046 1.00 0.03 H HETATM 1317 H5 AMH A 82 20.948 -0.542 39.679 1.00 0.03 H HETATM 1318 C7 AMH A 82 18.371 -1.016 40.859 1.00 -0.03 C HETATM 1319 N AMH A 82 18.128 -0.502 42.164 1.00 0.22 N HETATM 1320 H13 AMH A 82 17.222 -0.061 42.188 1.00 0.20 H HETATM 1321 H14 AMH A 82 18.837 0.176 42.396 1.00 0.20 H HETATM 1322 H15 AMH A 82 18.153 -1.256 42.832 1.00 0.20 H HETATM 1323 H11 AMH A 82 17.630 -1.780 40.579 1.00 0.08 H HETATM 1324 H12 AMH A 82 18.378 -0.217 40.103 1.00 0.08 H HETATM 1325 H6 AMH A 82 20.331 -0.993 41.789 1.00 0.04 H HETATM 1326 H7 AMH A 82 19.091 -3.657 41.190 1.00 0.03 H HETATM 1327 H8 AMH A 82 19.258 -2.813 42.766 1.00 0.03 H HETATM 1328 H9 AMH A 82 21.547 -3.225 42.883 1.00 0.03 H HETATM 1329 H10 AMH A 82 20.856 -4.750 42.231 1.00 0.03 H HETATM 1330 H1 AMH A 82 21.216 -4.032 40.107 1.00 0.05 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 23 22 1218 CONECT 339 338 943 CONECT 767 766 1143 CONECT 943 339 942 CONECT 1143 767 1142 CONECT 1218 23 1217 CONECT 1305 1306 1309 1313 1330 CONECT 1306 1305 1307 1308 CONECT 1307 1306 CONECT 1308 1306 CONECT 1309 1305 1310 1328 1329 CONECT 1310 1309 1311 1326 1327 CONECT 1311 1310 1312 1318 1325 CONECT 1312 1311 1313 1316 1317 CONECT 1313 1305 1312 1314 1315 CONECT 1314 1313 CONECT 1315 1313 CONECT 1316 1312 CONECT 1317 1312 CONECT 1318 1311 1319 1323 1324 CONECT 1319 1318 1320 1321 1322 CONECT 1320 1319 CONECT 1321 1319 CONECT 1322 1319 CONECT 1323 1318 CONECT 1324 1318 CONECT 1325 1311 CONECT 1326 1310 CONECT 1327 1310 CONECT 1328 1309 CONECT 1329 1309 CONECT 1330 1305 MASTER 0 0 0 0 0 0 0 0 1329 1 36 7 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1ceb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1cea
RCSB PDB
PDBbind
88aa, >1CEA_1|Chains... *
4cik
RCSB PDB
PDBbind
83aa, >4CIK_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1b2i
RCSB PDB
PDBbind
AMH
6nmb
RCSB PDB
PDBbind
AMH
Entry Information
PDB ID
1ceb
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
plasminogen
Ligand Name
AMH
EC.Number
E.C.3.4.21.7
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=1uM
Release Year
1996
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v35 pp. 2567-76, 1996
Ligand Properties
Formula
C
8
H
1
6
NO
2
Molecular Weight
158.218
Exact Mass
158.118
No. of atoms
27
No. of bonds
27
Polar Surface Area
64.94
LOGP Value
-0.80 (
Computed with XLOGP3
)
0.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
[NH3+]C[C@@H]1CC[C@H](CC1)C(=O)O
InChI String
InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/p+1/t6-,7-
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00747
Entrez Gene ID
NCBI Entrez Gene ID:
5340
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓