Browse entries in the PDBbind-CN Database
HEADER 4NNR_COMPLEX COMPND 4NNR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 102 HIS CYS PRO ILE LYS SER ARG LYS GLY ASP VAL LEU HIS SEQRES 2 A 102 MET HIS TYR THR GLY LYS LEU GLU ASP GLY THR GLU PHE SEQRES 3 A 102 ASP SER SER LEU PRO GLN ASN GLN PRO PHE VAL PHE SER SEQRES 4 A 102 LEU GLY THR GLY GLN VAL ILE LYS GLY TRP ASP GLN GLY SEQRES 5 A 102 LEU LEU GLY MET CYS GLU GLY GLU LYS ARG LYS LEU VAL SEQRES 6 A 102 ILE PRO SER GLU LEU GLY TYR GLY GLU ARG GLY ALA PRO SEQRES 7 A 102 PRO LYS ILE PRO GLY GLY ALA THR LEU VAL PHE GLU VAL SEQRES 8 A 102 GLU LEU LEU LYS ILE GLU ARG ARG THR GLU LEU HET FK A 5 134 SSBOND 1 CYS A 42 CYS A 97 ATOM 1 N HIS A 41 -2.417 31.714 -9.526 1.00 32.39 N ATOM 2 CA HIS A 41 -1.648 32.506 -10.482 1.00 36.25 C ATOM 3 C HIS A 41 -0.195 32.780 -10.065 1.00 44.01 C ATOM 4 O HIS A 41 0.063 33.472 -9.076 1.00 45.65 O ATOM 5 CB HIS A 41 -2.320 33.842 -10.725 1.00 31.55 C ATOM 6 CG HIS A 41 -1.746 34.572 -11.892 1.00 38.07 C ATOM 7 ND1 HIS A 41 -2.098 34.276 -13.190 1.00 41.84 N ATOM 8 CD2 HIS A 41 -0.826 35.561 -11.960 1.00 32.86 C ATOM 9 CE1 HIS A 41 -1.429 35.064 -14.013 1.00 43.46 C ATOM 10 NE2 HIS A 41 -0.650 35.851 -13.293 1.00 40.98 N ATOM 11 HN3 HIS A 41 -2.454 32.213 -8.614 1.00 0.00 H ATOM 12 HN2 HIS A 41 -1.960 30.788 -9.398 1.00 0.00 H ATOM 13 HN1 HIS A 41 -3.383 31.578 -9.888 1.00 0.00 H ATOM 14 N CYS A 42 0.744 32.291 -10.872 1.00 42.03 N ATOM 15 CA CYS A 42 2.144 32.179 -10.471 1.00 24.96 C ATOM 16 C CYS A 42 3.057 32.136 -11.679 1.00 19.13 C ATOM 17 O CYS A 42 3.509 31.065 -12.062 1.00 25.53 O ATOM 18 CB CYS A 42 2.329 30.912 -9.642 1.00 20.61 C ATOM 19 SG CYS A 42 4.027 30.565 -9.198 1.00 25.27 S ATOM 20 H CYS A 42 0.470 31.977 -11.825 1.00 0.00 H ATOM 21 N PRO A 43 3.326 33.291 -12.295 1.00 20.37 N ATOM 22 CA PRO A 43 4.116 33.388 -13.537 1.00 24.13 C ATOM 23 C PRO A 43 5.628 33.160 -13.392 1.00 26.26 C ATOM 24 O PRO A 43 6.351 32.964 -14.374 1.00 20.76 O ATOM 25 CB PRO A 43 3.853 34.833 -13.992 1.00 25.98 C ATOM 26 CG PRO A 43 3.425 35.551 -12.771 1.00 21.67 C ATOM 27 CD PRO A 43 2.668 34.570 -11.968 1.00 26.13 C ATOM 28 N ILE A 44 6.092 33.205 -12.154 1.00 25.40 N ATOM 29 CA ILE A 44 7.497 33.116 -11.838 1.00 21.34 C ATOM 30 C ILE A 44 7.566 32.399 -10.483 1.00 20.30 C ATOM 31 O ILE A 44 6.747 32.639 -9.589 1.00 16.21 O ATOM 32 CB ILE A 44 8.140 34.545 -11.810 1.00 28.19 C ATOM 33 CG1 ILE A 44 9.640 34.502 -11.550 1.00 25.53 C ATOM 34 CG2 ILE A 44 7.473 35.402 -10.770 1.00 24.14 C ATOM 35 CD1 ILE A 44 10.293 35.877 -11.606 1.00 21.17 C ATOM 36 H ILE A 44 5.413 33.309 -11.373 1.00 0.00 H ATOM 37 N LYS A 45 8.510 31.490 -10.328 1.00 18.93 N ATOM 38 CA LYS A 45 8.689 30.880 -9.028 1.00 23.52 C ATOM 39 C LYS A 45 10.164 30.745 -8.738 1.00 14.86 C ATOM 40 O LYS A 45 10.984 30.691 -9.652 1.00 15.38 O ATOM 41 CB LYS A 45 7.960 29.529 -8.930 1.00 26.46 C ATOM 42 CG LYS A 45 7.892 28.714 -10.207 1.00 28.65 C ATOM 43 CD LYS A 45 6.623 27.863 -10.242 1.00 32.18 C ATOM 44 CE LYS A 45 5.995 27.883 -11.632 1.00 44.87 C ATOM 45 NZ LYS A 45 4.616 27.340 -11.639 1.00 55.13 N ATOM 46 HZ1 LYS A 45 4.631 26.354 -11.308 1.00 0.00 H ATOM 47 HZ2 LYS A 45 4.017 27.910 -11.008 1.00 0.00 H ATOM 48 HZ3 LYS A 45 4.235 27.376 -12.606 1.00 0.00 H ATOM 49 H LYS A 45 9.116 31.216 -11.128 1.00 0.00 H ATOM 50 N SER A 46 10.481 30.728 -7.450 1.00 10.02 N ATOM 51 CA SER A 46 11.851 30.912 -6.972 1.00 14.94 C ATOM 52 C SER A 46 12.793 29.845 -7.466 1.00 11.08 C ATOM 53 O SER A 46 12.472 28.671 -7.410 1.00 14.40 O ATOM 54 CB SER A 46 11.868 30.929 -5.446 1.00 9.79 C ATOM 55 OG SER A 46 11.321 29.717 -4.942 1.00 7.27 O ATOM 56 HG SER A 46 11.336 29.736 -3.952 1.00 0.00 H ATOM 57 H SER A 46 9.725 30.578 -6.752 1.00 0.00 H ATOM 58 N ARG A 47 13.964 30.279 -7.925 1.00 20.35 N ATOM 59 CA ARG A 47 15.019 29.388 -8.381 1.00 13.00 C ATOM 60 C ARG A 47 16.346 29.892 -7.851 1.00 18.90 C ATOM 61 O ARG A 47 16.442 31.039 -7.416 1.00 6.81 O ATOM 62 CB ARG A 47 15.046 29.312 -9.911 1.00 17.87 C ATOM 63 CG ARG A 47 15.273 30.650 -10.567 1.00 23.84 C ATOM 64 CD ARG A 47 15.979 30.541 -11.911 1.00 29.53 C ATOM 65 NE ARG A 47 15.013 30.421 -12.997 1.00 38.93 N ATOM 66 CZ ARG A 47 15.096 31.066 -14.160 1.00 39.10 C ATOM 67 NH1 ARG A 47 16.112 31.891 -14.423 1.00 42.36 N ATOM 68 NH2 ARG A 47 14.150 30.881 -15.073 1.00 42.16 N ATOM 69 HE ARG A 47 14.201 29.787 -12.853 1.00 0.00 H ATOM 70 HH12 ARG A 47 16.158 32.385 -15.337 1.00 0.00 H ATOM 71 HH11 ARG A 47 16.858 32.040 -13.714 1.00 0.00 H ATOM 72 HH22 ARG A 47 14.203 31.378 -15.985 1.00 0.00 H ATOM 73 HH21 ARG A 47 13.356 30.239 -14.876 1.00 0.00 H ATOM 74 H ARG A 47 14.133 31.305 -7.959 1.00 0.00 H ATOM 75 N LYS A 48 17.376 29.047 -7.888 1.00 12.34 N ATOM 76 CA LYS A 48 18.653 29.450 -7.325 1.00 13.17 C ATOM 77 C LYS A 48 19.147 30.718 -7.986 1.00 11.11 C ATOM 78 O LYS A 48 18.992 30.936 -9.190 1.00 9.65 O ATOM 79 CB LYS A 48 19.672 28.323 -7.443 1.00 15.40 C ATOM 80 CG LYS A 48 19.153 27.078 -6.723 1.00 31.25 C ATOM 81 CD LYS A 48 20.191 25.977 -6.411 1.00 29.43 C ATOM 82 CE LYS A 48 19.446 24.700 -5.932 1.00 40.88 C ATOM 83 NZ LYS A 48 20.293 23.498 -5.626 1.00 47.96 N ATOM 84 HZ1 LYS A 48 20.815 23.217 -6.480 1.00 0.00 H ATOM 85 HZ2 LYS A 48 20.966 23.733 -4.869 1.00 0.00 H ATOM 86 HZ3 LYS A 48 19.682 22.715 -5.318 1.00 0.00 H ATOM 87 H LYS A 48 17.266 28.106 -8.317 1.00 0.00 H ATOM 88 N GLY A 49 19.707 31.581 -7.162 1.00 8.98 N ATOM 89 CA GLY A 49 20.228 32.837 -7.634 1.00 12.98 C ATOM 90 C GLY A 49 19.204 33.956 -7.567 1.00 12.44 C ATOM 91 O GLY A 49 19.575 35.094 -7.782 1.00 14.82 O ATOM 92 H GLY A 49 19.774 31.350 -6.150 1.00 0.00 H ATOM 93 N ASP A 50 17.931 33.648 -7.302 1.00 14.41 N ATOM 94 CA ASP A 50 16.906 34.690 -7.176 1.00 9.27 C ATOM 95 C ASP A 50 17.103 35.487 -5.882 1.00 8.05 C ATOM 96 O ASP A 50 17.533 34.946 -4.874 1.00 11.51 O ATOM 97 CB ASP A 50 15.496 34.093 -7.169 1.00 15.90 C ATOM 98 CG ASP A 50 14.967 33.791 -8.546 1.00 14.19 C ATOM 99 OD1 ASP A 50 13.844 33.269 -8.641 1.00 17.26 O ATOM 100 OD2 ASP A 50 15.636 34.077 -9.534 1.00 12.53 O ATOM 101 H ASP A 50 17.662 32.651 -7.183 1.00 0.00 H ATOM 102 N VAL A 51 16.757 36.765 -5.892 1.00 14.25 N ATOM 103 CA VAL A 51 16.776 37.545 -4.668 1.00 11.20 C ATOM 104 C VAL A 51 15.347 37.519 -4.148 1.00 11.48 C ATOM 105 O VAL A 51 14.436 37.883 -4.882 1.00 8.39 O ATOM 106 CB VAL A 51 17.298 38.968 -4.923 1.00 17.11 C ATOM 107 CG1 VAL A 51 16.943 39.927 -3.791 1.00 10.16 C ATOM 108 CG2 VAL A 51 18.797 38.915 -5.094 1.00 17.87 C ATOM 109 H VAL A 51 16.469 37.214 -6.785 1.00 0.00 H ATOM 110 N LEU A 52 15.135 37.017 -2.928 1.00 9.34 N ATOM 111 CA LEU A 52 13.776 36.910 -2.394 1.00 7.70 C ATOM 112 C LEU A 52 13.530 37.927 -1.301 1.00 8.12 C ATOM 113 O LEU A 52 14.407 38.230 -0.512 1.00 9.05 O ATOM 114 CB LEU A 52 13.501 35.504 -1.857 1.00 7.75 C ATOM 115 CG LEU A 52 13.751 34.373 -2.866 1.00 11.21 C ATOM 116 CD1 LEU A 52 13.445 33.033 -2.251 1.00 9.31 C ATOM 117 CD2 LEU A 52 12.970 34.574 -4.144 1.00 12.71 C ATOM 118 H LEU A 52 15.942 36.700 -2.353 1.00 0.00 H ATOM 119 N HIS A 53 12.308 38.434 -1.270 1.00 10.89 N ATOM 120 CA HIS A 53 11.836 39.287 -0.203 1.00 9.60 C ATOM 121 C HIS A 53 10.841 38.501 0.625 1.00 4.57 C ATOM 122 O HIS A 53 9.816 38.097 0.118 1.00 9.71 O ATOM 123 CB HIS A 53 11.191 40.542 -0.762 1.00 7.49 C ATOM 124 CG HIS A 53 12.127 41.411 -1.547 1.00 11.66 C ATOM 125 ND1 HIS A 53 12.332 42.739 -1.246 1.00 14.20 N ATOM 126 CD2 HIS A 53 12.901 41.150 -2.627 1.00 14.81 C ATOM 127 CE1 HIS A 53 13.201 43.255 -2.096 1.00 14.68 C ATOM 128 NE2 HIS A 53 13.568 42.311 -2.944 1.00 13.80 N ATOM 129 H HIS A 53 11.657 38.208 -2.049 1.00 0.00 H ATOM 130 N MET A 54 11.142 38.310 1.896 1.00 6.04 N ATOM 131 CA MET A 54 10.401 37.383 2.718 1.00 8.94 C ATOM 132 C MET A 54 10.063 37.940 4.067 1.00 12.78 C ATOM 133 O MET A 54 10.891 38.612 4.676 1.00 17.46 O ATOM 134 CB MET A 54 11.224 36.108 2.887 1.00 15.13 C ATOM 135 CG MET A 54 11.378 35.356 1.586 1.00 20.37 C ATOM 136 SD MET A 54 11.400 33.572 1.788 1.00 29.29 S ATOM 137 CE MET A 54 9.714 33.325 2.255 1.00 17.78 C ATOM 138 H MET A 54 11.932 38.840 2.315 1.00 0.00 H ATOM 139 N HIS A 55 8.846 37.674 4.534 1.00 7.15 N ATOM 140 CA HIS A 55 8.534 37.822 5.950 1.00 7.03 C ATOM 141 C HIS A 55 8.665 36.499 6.671 1.00 7.39 C ATOM 142 O HIS A 55 8.285 35.460 6.118 1.00 9.00 O ATOM 143 CB HIS A 55 7.120 38.366 6.140 1.00 9.28 C ATOM 144 CG HIS A 55 7.074 39.852 6.205 1.00 11.06 C ATOM 145 ND1 HIS A 55 7.982 40.577 6.941 1.00 15.89 N ATOM 146 CD2 HIS A 55 6.269 40.751 5.599 1.00 20.65 C ATOM 147 CE1 HIS A 55 7.730 41.868 6.796 1.00 14.82 C ATOM 148 NE2 HIS A 55 6.700 42.000 5.986 1.00 16.48 N ATOM 149 H HIS A 55 8.105 37.355 3.878 1.00 0.00 H ATOM 150 N TYR A 56 9.156 36.529 7.908 1.00 9.58 N ATOM 151 CA TYR A 56 9.245 35.298 8.675 1.00 8.21 C ATOM 152 C TYR A 56 8.993 35.468 10.146 1.00 10.16 C ATOM 153 O TYR A 56 9.109 36.550 10.708 1.00 8.34 O ATOM 154 CB TYR A 56 10.615 34.643 8.474 1.00 8.26 C ATOM 155 CG TYR A 56 11.728 35.365 9.160 1.00 11.87 C ATOM 156 CD1 TYR A 56 12.100 35.008 10.433 1.00 13.04 C ATOM 157 CD2 TYR A 56 12.400 36.420 8.549 1.00 15.26 C ATOM 158 CE1 TYR A 56 13.098 35.647 11.084 1.00 10.21 C ATOM 159 CE2 TYR A 56 13.414 37.081 9.215 1.00 9.61 C ATOM 160 CZ TYR A 56 13.758 36.683 10.479 1.00 15.13 C ATOM 161 OH TYR A 56 14.763 37.302 11.190 1.00 10.84 O ATOM 162 HH TYR A 56 14.855 36.868 12.075 1.00 0.00 H ATOM 163 H TYR A 56 9.474 37.428 8.323 1.00 0.00 H ATOM 164 N THR A 57 8.631 34.347 10.761 1.00 10.23 N ATOM 165 CA THR A 57 8.518 34.233 12.185 1.00 7.83 C ATOM 166 C THR A 57 9.192 32.925 12.567 1.00 10.34 C ATOM 167 O THR A 57 8.858 31.866 12.009 1.00 12.99 O ATOM 168 CB THR A 57 7.045 34.250 12.641 1.00 11.90 C ATOM 169 OG1 THR A 57 6.438 35.486 12.255 1.00 14.32 O ATOM 170 CG2 THR A 57 6.923 34.097 14.152 1.00 15.18 C ATOM 171 HG1 THR A 57 6.923 36.237 12.679 1.00 0.00 H ATOM 172 H THR A 57 8.419 33.511 10.180 1.00 0.00 H ATOM 173 N GLY A 58 10.167 32.993 13.473 1.00 11.54 N ATOM 174 CA GLY A 58 10.868 31.802 13.951 1.00 12.29 C ATOM 175 C GLY A 58 10.452 31.440 15.375 1.00 13.38 C ATOM 176 O GLY A 58 10.388 32.292 16.254 1.00 13.29 O ATOM 177 H GLY A 58 10.438 33.923 13.852 1.00 0.00 H ATOM 178 N LYS A 59 10.173 30.169 15.602 1.00 15.46 N ATOM 179 CA LYS A 59 9.767 29.675 16.914 1.00 15.68 C ATOM 180 C LYS A 59 10.629 28.479 17.249 1.00 12.19 C ATOM 181 O LYS A 59 11.091 27.782 16.354 1.00 12.24 O ATOM 182 CB LYS A 59 8.287 29.281 16.924 1.00 13.81 C ATOM 183 CG LYS A 59 7.317 30.441 16.831 1.00 17.02 C ATOM 184 CD LYS A 59 5.884 29.939 16.633 1.00 26.96 C ATOM 185 CE LYS A 59 4.837 31.032 16.828 1.00 32.61 C ATOM 186 NZ LYS A 59 3.984 31.183 15.598 1.00 46.24 N ATOM 187 HZ1 LYS A 59 4.586 31.436 14.789 1.00 0.00 H ATOM 188 HZ2 LYS A 59 3.498 30.285 15.402 1.00 0.00 H ATOM 189 HZ3 LYS A 59 3.280 31.932 15.756 1.00 0.00 H ATOM 190 H LYS A 59 10.246 29.493 14.815 1.00 0.00 H ATOM 191 N LEU A 60 10.883 28.283 18.533 1.00 14.35 N ATOM 192 CA LEU A 60 11.476 27.053 19.024 1.00 14.66 C ATOM 193 C LEU A 60 10.390 26.000 19.244 1.00 14.34 C ATOM 194 O LEU A 60 9.192 26.308 19.189 1.00 13.10 O ATOM 195 CB LEU A 60 12.212 27.307 20.327 1.00 20.09 C ATOM 196 CG LEU A 60 13.662 27.790 20.299 1.00 26.26 C ATOM 197 CD1 LEU A 60 14.183 28.074 18.919 1.00 30.54 C ATOM 198 CD2 LEU A 60 13.787 29.008 21.181 1.00 21.08 C ATOM 199 H LEU A 60 10.650 29.035 19.212 1.00 0.00 H ATOM 200 N GLU A 61 10.824 24.779 19.539 1.00 11.91 N ATOM 201 CA GLU A 61 9.928 23.629 19.723 1.00 29.39 C ATOM 202 C GLU A 61 8.812 23.919 20.704 1.00 23.73 C ATOM 203 O GLU A 61 7.658 23.595 20.440 1.00 28.59 O ATOM 204 CB GLU A 61 10.708 22.404 20.218 1.00 33.38 C ATOM 205 CG GLU A 61 11.460 21.641 19.141 1.00 38.63 C ATOM 206 CD GLU A 61 11.652 20.187 19.519 1.00 44.26 C ATOM 207 OE1 GLU A 61 11.459 19.318 18.634 1.00 35.96 O ATOM 208 OE2 GLU A 61 11.976 19.924 20.706 1.00 43.73 O ATOM 209 H GLU A 61 11.848 24.630 19.645 1.00 0.00 H ATOM 210 N ASP A 62 9.169 24.538 21.831 1.00 19.71 N ATOM 211 CA ASP A 62 8.195 24.860 22.879 1.00 23.33 C ATOM 212 C ASP A 62 7.280 26.028 22.513 1.00 27.69 C ATOM 213 O ASP A 62 6.530 26.535 23.364 1.00 27.56 O ATOM 214 CB ASP A 62 8.908 25.153 24.211 1.00 28.03 C ATOM 215 CG ASP A 62 9.997 26.181 24.091 1.00 30.63 C ATOM 216 OD1 ASP A 62 9.741 27.266 23.552 1.00 23.84 O ATOM 217 OD2 ASP A 62 11.125 25.894 24.536 1.00 56.17 O ATOM 218 H ASP A 62 10.166 24.799 21.970 1.00 0.00 H ATOM 219 N GLY A 63 7.333 26.447 21.250 1.00 20.81 N ATOM 220 CA GLY A 63 6.426 27.462 20.732 1.00 18.84 C ATOM 221 C GLY A 63 6.832 28.902 20.980 1.00 19.62 C ATOM 222 O GLY A 63 6.182 29.833 20.505 1.00 25.41 O ATOM 223 H GLY A 63 8.045 26.036 20.613 1.00 0.00 H ATOM 224 N THR A 64 7.907 29.105 21.722 1.00 21.00 N ATOM 225 CA THR A 64 8.314 30.469 22.030 1.00 18.52 C ATOM 226 C THR A 64 9.023 31.095 20.811 1.00 21.19 C ATOM 227 O THR A 64 9.899 30.496 20.167 1.00 17.59 O ATOM 228 CB THR A 64 9.201 30.526 23.303 1.00 23.13 C ATOM 229 OG1 THR A 64 10.480 29.941 23.061 1.00 28.86 O ATOM 230 CG2 THR A 64 8.486 29.817 24.475 1.00 35.36 C ATOM 231 HG1 THR A 64 10.364 28.994 22.796 1.00 0.00 H ATOM 232 H THR A 64 8.457 28.299 22.082 1.00 0.00 H ATOM 233 N GLU A 65 8.601 32.314 20.501 1.00 16.18 N ATOM 234 CA GLU A 65 9.010 33.008 19.294 1.00 16.30 C ATOM 235 C GLU A 65 10.353 33.672 19.543 1.00 17.66 C ATOM 236 O GLU A 65 10.477 34.395 20.520 1.00 20.35 O ATOM 237 CB GLU A 65 7.937 34.026 18.927 1.00 20.97 C ATOM 238 CG GLU A 65 8.171 34.778 17.662 1.00 28.82 C ATOM 239 CD GLU A 65 7.101 35.829 17.415 1.00 24.12 C ATOM 240 OE1 GLU A 65 5.887 35.500 17.480 1.00 26.17 O ATOM 241 OE2 GLU A 65 7.493 36.988 17.164 1.00 30.68 O ATOM 242 H GLU A 65 7.948 32.794 21.152 1.00 0.00 H ATOM 243 N PHE A 66 11.355 33.414 18.699 1.00 11.69 N ATOM 244 CA PHE A 66 12.687 34.004 18.909 1.00 19.06 C ATOM 245 C PHE A 66 13.049 35.147 17.953 1.00 17.54 C ATOM 246 O PHE A 66 14.003 35.873 18.205 1.00 16.53 O ATOM 247 CB PHE A 66 13.773 32.937 18.837 1.00 14.67 C ATOM 248 CG PHE A 66 13.943 32.288 17.487 1.00 22.45 C ATOM 249 CD1 PHE A 66 13.452 31.016 17.262 1.00 13.01 C ATOM 250 CD2 PHE A 66 14.665 32.911 16.472 1.00 15.51 C ATOM 251 CE1 PHE A 66 13.631 30.393 16.027 1.00 16.74 C ATOM 252 CE2 PHE A 66 14.849 32.307 15.238 1.00 9.97 C ATOM 253 CZ PHE A 66 14.335 31.041 15.012 1.00 20.30 C ATOM 254 H PHE A 66 11.192 32.789 17.884 1.00 0.00 H ATOM 255 N ASP A 67 12.286 35.312 16.877 1.00 15.30 N ATOM 256 CA ASP A 67 12.542 36.379 15.917 1.00 11.65 C ATOM 257 C ASP A 67 11.422 36.471 14.921 1.00 13.16 C ATOM 258 O ASP A 67 10.777 35.479 14.577 1.00 15.49 O ATOM 259 CB ASP A 67 13.854 36.159 15.159 1.00 15.61 C ATOM 260 CG ASP A 67 14.370 37.434 14.492 1.00 14.64 C ATOM 261 OD1 ASP A 67 13.854 38.533 14.802 1.00 10.37 O ATOM 262 OD2 ASP A 67 15.319 37.339 13.678 1.00 8.64 O ATOM 263 H ASP A 67 11.488 34.665 16.716 1.00 0.00 H ATOM 264 N SER A 68 11.197 37.673 14.439 1.00 9.24 N ATOM 265 CA SER A 68 10.230 37.857 13.395 1.00 6.51 C ATOM 266 C SER A 68 10.509 39.161 12.706 1.00 14.06 C ATOM 267 O SER A 68 11.005 40.109 13.318 1.00 12.44 O ATOM 268 CB SER A 68 8.816 37.832 13.973 1.00 9.53 C ATOM 269 OG SER A 68 7.872 38.263 13.025 1.00 10.91 O ATOM 270 HG SER A 68 7.902 37.666 12.236 1.00 0.00 H ATOM 271 H SER A 68 11.720 38.490 14.814 1.00 0.00 H ATOM 272 N SER A 69 10.199 39.203 11.425 1.00 10.66 N ATOM 273 CA SER A 69 10.329 40.418 10.680 1.00 14.53 C ATOM 274 C SER A 69 9.055 41.247 10.660 1.00 12.92 C ATOM 275 O SER A 69 9.060 42.321 10.094 1.00 17.51 O ATOM 276 CB SER A 69 10.734 40.098 9.263 1.00 10.97 C ATOM 277 OG SER A 69 9.727 39.345 8.632 1.00 12.16 O ATOM 278 HG SER A 69 8.885 39.866 8.621 1.00 0.00 H ATOM 279 H SER A 69 9.856 38.343 10.951 1.00 0.00 H ATOM 280 N LEU A 70 7.964 40.771 11.250 1.00 16.29 N ATOM 281 CA LEU A 70 6.686 41.470 11.040 1.00 23.96 C ATOM 282 C LEU A 70 6.535 42.735 11.888 1.00 15.97 C ATOM 283 O LEU A 70 6.063 43.738 11.378 1.00 17.51 O ATOM 284 CB LEU A 70 5.492 40.544 11.293 1.00 17.15 C ATOM 285 CG LEU A 70 5.431 39.277 10.446 1.00 17.22 C ATOM 286 CD1 LEU A 70 4.541 38.268 11.135 1.00 26.99 C ATOM 287 CD2 LEU A 70 4.923 39.571 9.082 1.00 20.69 C ATOM 288 H LEU A 70 8.012 39.922 11.848 1.00 0.00 H ATOM 289 N PRO A 71 6.941 42.695 13.173 1.00 17.49 N ATOM 290 CA PRO A 71 6.747 43.859 14.044 1.00 16.97 C ATOM 291 C PRO A 71 7.342 45.144 13.478 1.00 23.09 C ATOM 292 O PRO A 71 6.630 46.156 13.421 1.00 24.30 O ATOM 293 CB PRO A 71 7.459 43.442 15.330 1.00 19.44 C ATOM 294 CG PRO A 71 7.294 41.973 15.357 1.00 13.95 C ATOM 295 CD PRO A 71 7.469 41.550 13.932 1.00 14.38 C ATOM 296 N GLN A 72 8.599 45.101 13.042 1.00 15.61 N ATOM 297 CA GLN A 72 9.204 46.249 12.370 1.00 19.23 C ATOM 298 C GLN A 72 8.840 46.348 10.894 1.00 15.64 C ATOM 299 O GLN A 72 9.325 47.229 10.187 1.00 15.33 O ATOM 300 CB GLN A 72 10.720 46.195 12.544 1.00 18.89 C ATOM 301 CG GLN A 72 11.094 46.580 13.969 1.00 20.96 C ATOM 302 CD GLN A 72 12.226 45.778 14.558 1.00 30.63 C ATOM 303 OE1 GLN A 72 12.302 44.539 14.425 1.00 40.17 O ATOM 304 NE2 GLN A 72 13.127 46.484 15.241 1.00 34.44 N ATOM 305 HE22 GLN A 72 13.024 47.515 15.326 1.00 0.00 H ATOM 306 HE21 GLN A 72 13.933 46.003 15.689 1.00 0.00 H ATOM 307 H GLN A 72 9.160 44.236 13.182 1.00 0.00 H ATOM 308 N ASN A 73 7.969 45.451 10.451 1.00 16.39 N ATOM 309 CA ASN A 73 7.546 45.367 9.050 1.00 18.55 C ATOM 310 C ASN A 73 8.680 45.639 8.081 1.00 12.06 C ATOM 311 O ASN A 73 8.625 46.534 7.254 1.00 15.81 O ATOM 312 CB ASN A 73 6.380 46.314 8.777 1.00 27.06 C ATOM 313 CG ASN A 73 5.458 45.765 7.733 1.00 28.07 C ATOM 314 OD1 ASN A 73 5.497 46.176 6.579 1.00 36.34 O ATOM 315 ND2 ASN A 73 4.639 44.788 8.122 1.00 38.15 N ATOM 316 HD22 ASN A 73 4.641 44.472 9.113 1.00 0.00 H ATOM 317 HD21 ASN A 73 3.998 44.342 7.435 1.00 0.00 H ATOM 318 H ASN A 73 7.567 44.774 11.131 1.00 0.00 H ATOM 319 N GLN A 74 9.725 44.838 8.209 1.00 15.38 N ATOM 320 CA GLN A 74 10.863 44.955 7.341 1.00 13.07 C ATOM 321 C GLN A 74 11.221 43.591 6.779 1.00 13.17 C ATOM 322 O GLN A 74 11.895 42.799 7.433 1.00 9.60 O ATOM 323 CB GLN A 74 12.045 45.547 8.080 1.00 13.59 C ATOM 324 CG GLN A 74 13.221 45.799 7.148 1.00 16.54 C ATOM 325 CD GLN A 74 14.421 46.357 7.856 1.00 18.90 C ATOM 326 OE1 GLN A 74 14.307 46.977 8.923 1.00 14.21 O ATOM 327 NE2 GLN A 74 15.591 46.151 7.266 1.00 14.56 N ATOM 328 HE22 GLN A 74 15.636 45.624 6.370 1.00 0.00 H ATOM 329 HE21 GLN A 74 16.463 46.516 7.699 1.00 0.00 H ATOM 330 H GLN A 74 9.722 44.110 8.952 1.00 0.00 H ATOM 331 N PRO A 75 10.790 43.326 5.545 1.00 10.76 N ATOM 332 CA PRO A 75 11.139 42.036 4.940 1.00 10.88 C ATOM 333 C PRO A 75 12.656 41.783 4.878 1.00 13.73 C ATOM 334 O PRO A 75 13.476 42.710 4.753 1.00 11.75 O ATOM 335 CB PRO A 75 10.546 42.143 3.538 1.00 9.24 C ATOM 336 CG PRO A 75 9.493 43.224 3.659 1.00 17.77 C ATOM 337 CD PRO A 75 10.075 44.202 4.599 1.00 6.79 C ATOM 338 N PHE A 76 12.994 40.506 4.977 1.00 8.57 N ATOM 339 CA PHE A 76 14.344 39.995 4.879 1.00 6.87 C ATOM 340 C PHE A 76 14.613 39.709 3.410 1.00 11.97 C ATOM 341 O PHE A 76 13.755 39.176 2.720 1.00 7.65 O ATOM 342 CB PHE A 76 14.461 38.747 5.750 1.00 7.34 C ATOM 343 CG PHE A 76 15.747 38.004 5.601 1.00 11.90 C ATOM 344 CD1 PHE A 76 15.776 36.791 4.938 1.00 10.74 C ATOM 345 CD2 PHE A 76 16.917 38.494 6.158 1.00 7.98 C ATOM 346 CE1 PHE A 76 16.954 36.088 4.793 1.00 10.16 C ATOM 347 CE2 PHE A 76 18.104 37.788 6.035 1.00 9.76 C ATOM 348 CZ PHE A 76 18.130 36.585 5.343 1.00 7.71 C ATOM 349 H PHE A 76 12.231 39.818 5.137 1.00 0.00 H ATOM 350 N VAL A 77 15.793 40.089 2.937 1.00 8.21 N ATOM 351 CA VAL A 77 16.131 39.985 1.531 1.00 10.10 C ATOM 352 C VAL A 77 17.405 39.176 1.373 1.00 9.12 C ATOM 353 O VAL A 77 18.411 39.497 1.978 1.00 11.71 O ATOM 354 CB VAL A 77 16.292 41.390 0.912 1.00 14.06 C ATOM 355 CG1 VAL A 77 16.780 41.306 -0.526 1.00 13.40 C ATOM 356 CG2 VAL A 77 14.961 42.126 0.957 1.00 10.37 C ATOM 357 H VAL A 77 16.499 40.474 3.597 1.00 0.00 H ATOM 358 N PHE A 78 17.364 38.111 0.579 1.00 13.13 N ATOM 359 CA PHE A 78 18.543 37.261 0.410 1.00 9.36 C ATOM 360 C PHE A 78 18.556 36.583 -0.956 1.00 9.44 C ATOM 361 O PHE A 78 17.541 36.516 -1.648 1.00 10.76 O ATOM 362 CB PHE A 78 18.611 36.201 1.543 1.00 6.05 C ATOM 363 CG PHE A 78 17.648 35.047 1.382 1.00 6.76 C ATOM 364 CD1 PHE A 78 16.290 35.227 1.539 1.00 6.73 C ATOM 365 CD2 PHE A 78 18.112 33.790 1.109 1.00 7.05 C ATOM 366 CE1 PHE A 78 15.414 34.166 1.396 1.00 7.24 C ATOM 367 CE2 PHE A 78 17.232 32.716 0.965 1.00 8.05 C ATOM 368 CZ PHE A 78 15.898 32.910 1.111 1.00 7.65 C ATOM 369 H PHE A 78 16.485 37.880 0.073 1.00 0.00 H ATOM 370 N SER A 79 19.711 36.058 -1.339 1.00 9.86 N ATOM 371 CA SER A 79 19.812 35.295 -2.574 1.00 11.15 C ATOM 372 C SER A 79 19.676 33.818 -2.275 1.00 9.46 C ATOM 373 O SER A 79 20.447 33.265 -1.491 1.00 11.95 O ATOM 374 CB SER A 79 21.145 35.562 -3.263 1.00 14.95 C ATOM 375 OG SER A 79 21.171 36.873 -3.745 1.00 17.06 O ATOM 376 HG SER A 79 20.434 36.999 -4.394 1.00 0.00 H ATOM 377 H SER A 79 20.557 36.193 -0.749 1.00 0.00 H ATOM 378 N LEU A 80 18.710 33.173 -2.906 1.00 8.54 N ATOM 379 CA LEU A 80 18.491 31.745 -2.695 1.00 10.24 C ATOM 380 C LEU A 80 19.628 30.878 -3.221 1.00 10.85 C ATOM 381 O LEU A 80 20.080 31.040 -4.359 1.00 10.17 O ATOM 382 CB LEU A 80 17.183 31.332 -3.376 1.00 5.80 C ATOM 383 CG LEU A 80 16.597 29.958 -3.079 1.00 7.88 C ATOM 384 CD1 LEU A 80 16.411 29.763 -1.618 1.00 9.86 C ATOM 385 CD2 LEU A 80 15.277 29.863 -3.767 1.00 14.01 C ATOM 386 H LEU A 80 18.095 33.692 -3.565 1.00 0.00 H ATOM 387 N GLY A 81 20.079 29.940 -2.398 1.00 6.11 N ATOM 388 CA GLY A 81 20.934 28.883 -2.870 1.00 11.84 C ATOM 389 C GLY A 81 22.400 29.257 -2.942 1.00 19.74 C ATOM 390 O GLY A 81 23.215 28.517 -3.495 1.00 21.40 O ATOM 391 H GLY A 81 19.810 29.969 -1.394 1.00 0.00 H ATOM 392 N THR A 82 22.741 30.398 -2.361 1.00 14.84 N ATOM 393 CA THR A 82 24.107 30.869 -2.373 1.00 14.82 C ATOM 394 C THR A 82 24.802 30.625 -1.024 1.00 9.52 C ATOM 395 O THR A 82 25.954 30.984 -0.855 1.00 18.48 O ATOM 396 CB THR A 82 24.158 32.368 -2.724 1.00 9.72 C ATOM 397 OG1 THR A 82 23.513 33.117 -1.696 1.00 14.08 O ATOM 398 CG2 THR A 82 23.430 32.640 -4.024 1.00 14.50 C ATOM 399 HG1 THR A 82 22.570 32.826 -1.620 1.00 0.00 H ATOM 400 H THR A 82 22.010 30.966 -1.887 1.00 0.00 H ATOM 401 N GLY A 83 24.120 30.024 -0.060 1.00 9.88 N ATOM 402 CA GLY A 83 24.746 29.789 1.235 1.00 11.37 C ATOM 403 C GLY A 83 24.757 31.005 2.158 1.00 14.35 C ATOM 404 O GLY A 83 25.470 31.058 3.165 1.00 10.46 O ATOM 405 H GLY A 83 23.139 29.720 -0.227 1.00 0.00 H ATOM 406 N GLN A 84 23.924 31.983 1.843 1.00 9.12 N ATOM 407 CA GLN A 84 23.779 33.173 2.671 1.00 13.80 C ATOM 408 C GLN A 84 23.030 32.844 3.987 1.00 16.71 C ATOM 409 O GLN A 84 23.230 33.493 5.028 1.00 7.78 O ATOM 410 CB GLN A 84 23.046 34.250 1.849 1.00 14.67 C ATOM 411 CG GLN A 84 22.779 35.543 2.574 1.00 14.37 C ATOM 412 CD GLN A 84 22.232 36.614 1.649 1.00 15.78 C ATOM 413 OE1 GLN A 84 22.057 36.387 0.449 1.00 9.97 O ATOM 414 NE2 GLN A 84 21.955 37.792 2.205 1.00 9.83 N ATOM 415 HE22 GLN A 84 22.119 37.939 3.222 1.00 0.00 H ATOM 416 HE21 GLN A 84 21.575 38.565 1.623 1.00 0.00 H ATOM 417 H GLN A 84 23.354 31.900 0.977 1.00 0.00 H ATOM 418 N VAL A 85 22.207 31.797 3.933 1.00 11.67 N ATOM 419 CA VAL A 85 21.325 31.426 5.026 1.00 8.56 C ATOM 420 C VAL A 85 21.517 29.956 5.397 1.00 12.00 C ATOM 421 O VAL A 85 22.167 29.186 4.687 1.00 12.43 O ATOM 422 CB VAL A 85 19.822 31.677 4.684 1.00 10.64 C ATOM 423 CG1 VAL A 85 19.513 33.151 4.629 1.00 12.05 C ATOM 424 CG2 VAL A 85 19.420 30.990 3.381 1.00 12.70 C ATOM 425 H VAL A 85 22.196 31.219 3.068 1.00 0.00 H ATOM 426 N ILE A 86 20.973 29.567 6.530 1.00 10.13 N ATOM 427 CA ILE A 86 21.108 28.179 6.965 1.00 11.65 C ATOM 428 C ILE A 86 20.555 27.246 5.877 1.00 7.39 C ATOM 429 O ILE A 86 19.730 27.660 5.050 1.00 5.24 O ATOM 430 CB ILE A 86 20.400 27.971 8.305 1.00 11.35 C ATOM 431 CG1 ILE A 86 18.926 28.410 8.237 1.00 12.73 C ATOM 432 CG2 ILE A 86 21.104 28.780 9.360 1.00 13.87 C ATOM 433 CD1 ILE A 86 18.134 28.136 9.512 1.00 5.39 C ATOM 434 H ILE A 86 20.447 30.247 7.115 1.00 0.00 H ATOM 435 N LYS A 87 21.024 26.004 5.870 1.00 6.40 N ATOM 436 CA LYS A 87 20.735 25.060 4.802 1.00 5.14 C ATOM 437 C LYS A 87 19.260 24.780 4.671 1.00 5.49 C ATOM 438 O LYS A 87 18.773 24.596 3.565 1.00 9.35 O ATOM 439 CB LYS A 87 21.489 23.749 5.026 1.00 5.63 C ATOM 440 CG LYS A 87 22.994 23.897 4.945 1.00 15.61 C ATOM 441 CD LYS A 87 23.564 23.600 3.558 1.00 34.62 C ATOM 442 CE LYS A 87 24.862 22.784 3.645 1.00 39.53 C ATOM 443 NZ LYS A 87 24.707 21.482 4.411 1.00 46.84 N ATOM 444 HZ1 LYS A 87 24.401 21.688 5.384 1.00 0.00 H ATOM 445 HZ2 LYS A 87 23.995 20.887 3.941 1.00 0.00 H ATOM 446 HZ3 LYS A 87 25.619 20.982 4.431 1.00 0.00 H ATOM 447 H LYS A 87 21.623 25.693 6.661 1.00 0.00 H ATOM 448 N GLY A 88 18.545 24.793 5.798 1.00 8.32 N ATOM 449 CA GLY A 88 17.139 24.451 5.828 1.00 5.91 C ATOM 450 C GLY A 88 16.293 25.475 5.078 1.00 11.95 C ATOM 451 O GLY A 88 15.205 25.156 4.558 1.00 8.13 O ATOM 452 H GLY A 88 19.015 25.059 6.687 1.00 0.00 H ATOM 453 N TRP A 89 16.789 26.706 5.011 1.00 7.15 N ATOM 454 CA TRP A 89 16.150 27.727 4.186 1.00 8.59 C ATOM 455 C TRP A 89 16.482 27.507 2.711 1.00 6.24 C ATOM 456 O TRP A 89 15.581 27.446 1.894 1.00 8.81 O ATOM 457 CB TRP A 89 16.569 29.134 4.638 1.00 7.94 C ATOM 458 CG TRP A 89 15.677 29.723 5.669 1.00 8.65 C ATOM 459 CD1 TRP A 89 15.320 29.163 6.860 1.00 11.62 C ATOM 460 CD2 TRP A 89 15.031 31.012 5.623 1.00 6.71 C ATOM 461 NE1 TRP A 89 14.493 30.022 7.556 1.00 10.85 N ATOM 462 CE2 TRP A 89 14.293 31.145 6.816 1.00 6.56 C ATOM 463 CE3 TRP A 89 15.006 32.052 4.689 1.00 8.53 C ATOM 464 CZ2 TRP A 89 13.539 32.304 7.102 1.00 10.64 C ATOM 465 CZ3 TRP A 89 14.257 33.192 4.972 1.00 6.91 C ATOM 466 CH2 TRP A 89 13.532 33.303 6.171 1.00 8.15 C ATOM 467 HE1 TRP A 89 14.088 29.839 8.496 1.00 0.00 H ATOM 468 H TRP A 89 17.644 26.945 5.553 1.00 0.00 H ATOM 469 N ASP A 90 17.762 27.378 2.356 1.00 7.58 N ATOM 470 CA ASP A 90 18.136 27.237 0.955 1.00 7.08 C ATOM 471 C ASP A 90 17.515 26.030 0.333 1.00 10.19 C ATOM 472 O ASP A 90 17.311 26.011 -0.873 1.00 13.08 O ATOM 473 CB ASP A 90 19.657 27.100 0.754 1.00 14.03 C ATOM 474 CG ASP A 90 20.354 28.427 0.496 1.00 12.89 C ATOM 475 OD1 ASP A 90 21.598 28.485 0.611 1.00 8.31 O ATOM 476 OD2 ASP A 90 19.668 29.406 0.181 1.00 9.83 O ATOM 477 H ASP A 90 18.501 27.378 3.088 1.00 0.00 H ATOM 478 N GLN A 91 17.275 24.990 1.127 1.00 9.23 N ATOM 479 CA GLN A 91 16.712 23.766 0.589 1.00 7.84 C ATOM 480 C GLN A 91 15.188 23.745 0.625 1.00 8.86 C ATOM 481 O GLN A 91 14.563 23.004 -0.117 1.00 9.37 O ATOM 482 CB GLN A 91 17.256 22.557 1.357 1.00 12.27 C ATOM 483 CG GLN A 91 18.720 22.236 1.015 1.00 23.14 C ATOM 484 CD GLN A 91 19.301 21.152 1.905 1.00 18.42 C ATOM 485 OE1 GLN A 91 18.570 20.377 2.523 1.00 26.26 O ATOM 486 NE2 GLN A 91 20.618 21.099 1.979 1.00 22.30 N ATOM 487 HE22 GLN A 91 21.197 21.774 1.439 1.00 0.00 H ATOM 488 HE21 GLN A 91 21.077 20.382 2.577 1.00 0.00 H ATOM 489 H GLN A 91 17.493 25.055 2.142 1.00 0.00 H ATOM 490 N GLY A 92 14.589 24.545 1.491 1.00 9.71 N ATOM 491 CA GLY A 92 13.145 24.475 1.723 1.00 10.89 C ATOM 492 C GLY A 92 12.296 25.470 0.961 1.00 10.28 C ATOM 493 O GLY A 92 11.052 25.418 1.024 1.00 13.31 O ATOM 494 H GLY A 92 15.156 25.239 2.019 1.00 0.00 H ATOM 495 N LEU A 93 12.963 26.366 0.235 1.00 12.26 N ATOM 496 CA LEU A 93 12.330 27.550 -0.360 1.00 9.91 C ATOM 497 C LEU A 93 12.368 27.605 -1.895 1.00 13.74 C ATOM 498 O LEU A 93 12.178 28.672 -2.484 1.00 11.24 O ATOM 499 CB LEU A 93 12.999 28.807 0.208 1.00 17.52 C ATOM 500 CG LEU A 93 12.443 29.428 1.493 1.00 21.06 C ATOM 501 CD1 LEU A 93 11.605 28.464 2.260 1.00 20.75 C ATOM 502 CD2 LEU A 93 13.539 29.984 2.393 1.00 15.38 C ATOM 503 H LEU A 93 13.981 26.220 0.082 1.00 0.00 H ATOM 504 N LEU A 94 12.578 26.460 -2.553 1.00 10.37 N ATOM 505 CA LEU A 94 12.545 26.406 -4.015 1.00 5.06 C ATOM 506 C LEU A 94 11.113 26.284 -4.566 1.00 9.28 C ATOM 507 O LEU A 94 10.226 25.749 -3.899 1.00 11.02 O ATOM 508 CB LEU A 94 13.387 25.233 -4.516 1.00 8.82 C ATOM 509 CG LEU A 94 14.874 25.249 -4.161 1.00 14.96 C ATOM 510 CD1 LEU A 94 15.509 23.913 -4.433 1.00 21.65 C ATOM 511 CD2 LEU A 94 15.592 26.353 -4.937 1.00 20.62 C ATOM 512 H LEU A 94 12.769 25.591 -2.015 1.00 0.00 H ATOM 513 N GLY A 95 10.899 26.771 -5.787 1.00 10.30 N ATOM 514 CA GLY A 95 9.646 26.540 -6.492 1.00 14.64 C ATOM 515 C GLY A 95 8.482 27.298 -5.893 1.00 12.95 C ATOM 516 O GLY A 95 7.336 26.898 -6.025 1.00 12.77 O ATOM 517 H GLY A 95 11.645 27.330 -6.248 1.00 0.00 H ATOM 518 N MET A 96 8.784 28.410 -5.231 1.00 13.71 N ATOM 519 CA MET A 96 7.790 29.168 -4.466 1.00 11.99 C ATOM 520 C MET A 96 7.179 30.314 -5.282 1.00 14.44 C ATOM 521 O MET A 96 7.889 30.962 -6.072 1.00 15.02 O ATOM 522 CB MET A 96 8.477 29.689 -3.214 1.00 11.76 C ATOM 523 CG MET A 96 7.606 29.921 -2.037 1.00 15.52 C ATOM 524 SD MET A 96 8.681 30.228 -0.630 1.00 14.76 S ATOM 525 CE MET A 96 7.441 30.604 0.601 1.00 13.91 C ATOM 526 H MET A 96 9.764 28.756 -5.257 1.00 0.00 H ATOM 527 N CYS A 97 5.880 30.574 -5.094 1.00 15.80 N ATOM 528 CA CYS A 97 5.169 31.664 -5.805 1.00 13.98 C ATOM 529 C CYS A 97 5.067 32.909 -4.930 1.00 10.43 C ATOM 530 O CYS A 97 4.966 32.753 -3.718 1.00 13.38 O ATOM 531 CB CYS A 97 3.768 31.210 -6.197 1.00 14.76 C ATOM 532 SG CYS A 97 3.668 29.804 -7.356 1.00 18.30 S ATOM 533 H CYS A 97 5.347 29.987 -4.421 1.00 0.00 H ATOM 534 N GLU A 98 5.077 34.132 -5.464 1.00 12.78 N ATOM 535 CA GLU A 98 4.807 35.266 -4.549 1.00 15.67 C ATOM 536 C GLU A 98 3.478 35.017 -3.940 1.00 12.23 C ATOM 537 O GLU A 98 2.575 34.573 -4.619 1.00 14.71 O ATOM 538 CB GLU A 98 4.743 36.679 -5.169 1.00 20.37 C ATOM 539 CG GLU A 98 5.002 36.802 -6.592 1.00 33.52 C ATOM 540 CD GLU A 98 6.466 36.838 -6.840 1.00 47.39 C ATOM 541 OE1 GLU A 98 6.918 37.563 -7.764 1.00 56.51 O ATOM 542 OE2 GLU A 98 7.161 36.139 -6.074 1.00 52.14 O ATOM 543 H GLU A 98 5.266 34.282 -6.476 1.00 0.00 H ATOM 544 N GLY A 99 3.354 35.316 -2.656 1.00 10.58 N ATOM 545 CA GLY A 99 2.084 35.182 -2.001 1.00 15.17 C ATOM 546 C GLY A 99 1.995 33.866 -1.285 1.00 13.80 C ATOM 547 O GLY A 99 1.242 33.740 -0.339 1.00 16.83 O ATOM 548 H GLY A 99 4.180 35.649 -2.120 1.00 0.00 H ATOM 549 N GLU A 100 2.775 32.886 -1.725 1.00 10.54 N ATOM 550 CA GLU A 100 2.807 31.586 -1.061 1.00 11.34 C ATOM 551 C GLU A 100 3.375 31.693 0.337 1.00 16.84 C ATOM 552 O GLU A 100 4.307 32.466 0.554 1.00 8.61 O ATOM 553 CB GLU A 100 3.650 30.596 -1.865 1.00 12.41 C ATOM 554 CG GLU A 100 3.601 29.176 -1.385 1.00 13.53 C ATOM 555 CD GLU A 100 4.291 28.242 -2.336 1.00 19.75 C ATOM 556 OE1 GLU A 100 4.384 28.620 -3.522 1.00 16.19 O ATOM 557 OE2 GLU A 100 4.718 27.129 -1.905 1.00 20.65 O ATOM 558 H GLU A 100 3.375 33.047 -2.559 1.00 0.00 H ATOM 559 N LYS A 101 2.817 30.896 1.257 1.00 11.66 N ATOM 560 CA LYS A 101 3.397 30.686 2.572 1.00 14.84 C ATOM 561 C LYS A 101 3.878 29.242 2.725 1.00 11.23 C ATOM 562 O LYS A 101 3.374 28.306 2.077 1.00 8.80 O ATOM 563 CB LYS A 101 2.398 31.020 3.682 1.00 12.11 C ATOM 564 CG LYS A 101 1.803 32.437 3.600 1.00 15.94 C ATOM 565 CD LYS A 101 0.307 32.370 3.415 1.00 23.61 C ATOM 566 CE LYS A 101 -0.324 33.737 3.104 1.00 39.53 C ATOM 567 NZ LYS A 101 -0.920 34.390 4.308 1.00 37.40 N ATOM 568 HZ1 LYS A 101 -1.665 33.779 4.700 1.00 0.00 H ATOM 569 HZ2 LYS A 101 -0.179 34.538 5.023 1.00 0.00 H ATOM 570 HZ3 LYS A 101 -1.329 35.307 4.037 1.00 0.00 H ATOM 571 H LYS A 101 1.931 30.406 1.020 1.00 0.00 H ATOM 572 N ARG A 102 4.884 29.073 3.576 1.00 11.37 N ATOM 573 CA ARG A 102 5.384 27.741 3.921 1.00 14.36 C ATOM 574 C ARG A 102 5.744 27.698 5.375 1.00 14.31 C ATOM 575 O ARG A 102 6.191 28.703 5.959 1.00 13.59 O ATOM 576 CB ARG A 102 6.605 27.354 3.084 1.00 9.96 C ATOM 577 CG ARG A 102 6.280 26.965 1.683 1.00 6.83 C ATOM 578 CD ARG A 102 7.465 26.450 0.923 1.00 9.44 C ATOM 579 NE ARG A 102 7.111 26.337 -0.490 1.00 12.63 N ATOM 580 CZ ARG A 102 7.950 26.035 -1.472 1.00 9.36 C ATOM 581 NH1 ARG A 102 9.222 25.782 -1.223 1.00 6.78 N ATOM 582 NH2 ARG A 102 7.504 25.975 -2.715 1.00 11.36 N ATOM 583 HE ARG A 102 6.118 26.508 -0.747 1.00 0.00 H ATOM 584 HH12 ARG A 102 9.868 25.547 -2.003 1.00 0.00 H ATOM 585 HH11 ARG A 102 9.578 25.818 -0.246 1.00 0.00 H ATOM 586 HH22 ARG A 102 8.156 25.739 -3.490 1.00 0.00 H ATOM 587 HH21 ARG A 102 6.502 26.164 -2.917 1.00 0.00 H ATOM 588 H ARG A 102 5.328 29.908 4.008 1.00 0.00 H ATOM 589 N LYS A 103 5.525 26.527 5.950 1.00 7.96 N ATOM 590 CA LYS A 103 5.994 26.206 7.267 1.00 16.87 C ATOM 591 C LYS A 103 7.229 25.358 7.060 1.00 13.76 C ATOM 592 O LYS A 103 7.172 24.358 6.363 1.00 12.86 O ATOM 593 CB LYS A 103 4.919 25.475 8.079 1.00 15.34 C ATOM 594 CG LYS A 103 5.319 25.193 9.528 1.00 19.88 C ATOM 595 CD LYS A 103 4.239 24.438 10.304 1.00 19.88 C ATOM 596 CE LYS A 103 4.730 24.123 11.706 1.00 38.67 C ATOM 597 NZ LYS A 103 3.906 24.771 12.774 1.00 44.19 N ATOM 598 HZ1 LYS A 103 3.934 25.804 12.653 1.00 0.00 H ATOM 599 HZ2 LYS A 103 2.923 24.439 12.701 1.00 0.00 H ATOM 600 HZ3 LYS A 103 4.290 24.519 13.707 1.00 0.00 H ATOM 601 H LYS A 103 4.989 25.807 5.424 1.00 0.00 H ATOM 602 N LEU A 104 8.352 25.788 7.631 1.00 9.72 N ATOM 603 CA LEU A 104 9.578 25.006 7.598 1.00 14.37 C ATOM 604 C LEU A 104 9.888 24.474 8.978 1.00 16.08 C ATOM 605 O LEU A 104 9.905 25.236 9.932 1.00 10.61 O ATOM 606 CB LEU A 104 10.742 25.862 7.102 1.00 17.44 C ATOM 607 CG LEU A 104 10.699 26.297 5.638 1.00 18.67 C ATOM 608 CD1 LEU A 104 11.977 27.024 5.338 1.00 14.85 C ATOM 609 CD2 LEU A 104 10.538 25.126 4.688 1.00 13.64 C ATOM 610 H LEU A 104 8.353 26.709 8.114 1.00 0.00 H ATOM 611 N VAL A 105 10.123 23.168 9.090 1.00 5.89 N ATOM 612 CA VAL A 105 10.571 22.585 10.343 1.00 9.07 C ATOM 613 C VAL A 105 11.968 22.080 10.103 1.00 11.54 C ATOM 614 O VAL A 105 12.179 21.115 9.356 1.00 11.37 O ATOM 615 CB VAL A 105 9.678 21.441 10.823 1.00 9.27 C ATOM 616 CG1 VAL A 105 10.127 20.976 12.196 1.00 11.15 C ATOM 617 CG2 VAL A 105 8.233 21.896 10.888 1.00 10.86 C ATOM 618 H VAL A 105 9.983 22.553 8.263 1.00 0.00 H ATOM 619 N ILE A 106 12.916 22.752 10.732 1.00 14.16 N ATOM 620 CA ILE A 106 14.324 22.595 10.433 1.00 12.74 C ATOM 621 C ILE A 106 15.080 21.916 11.575 1.00 11.72 C ATOM 622 O ILE A 106 15.194 22.484 12.672 1.00 14.56 O ATOM 623 CB ILE A 106 14.943 23.963 10.159 1.00 18.09 C ATOM 624 CG1 ILE A 106 14.290 24.559 8.922 1.00 9.87 C ATOM 625 CG2 ILE A 106 16.497 23.874 10.016 1.00 9.14 C ATOM 626 CD1 ILE A 106 14.687 26.032 8.702 1.00 13.69 C ATOM 627 H ILE A 106 12.638 23.424 11.475 1.00 0.00 H ATOM 628 N PRO A 107 15.602 20.702 11.319 1.00 11.57 N ATOM 629 CA PRO A 107 16.416 19.999 12.316 1.00 15.72 C ATOM 630 C PRO A 107 17.798 20.658 12.460 1.00 18.17 C ATOM 631 O PRO A 107 18.254 21.294 11.509 1.00 15.96 O ATOM 632 CB PRO A 107 16.515 18.579 11.738 1.00 17.02 C ATOM 633 CG PRO A 107 16.393 18.757 10.272 1.00 11.31 C ATOM 634 CD PRO A 107 15.474 19.918 10.066 1.00 9.45 C ATOM 635 N SER A 108 18.457 20.500 13.602 1.00 15.83 N ATOM 636 CA SER A 108 19.632 21.316 13.905 1.00 12.20 C ATOM 637 C SER A 108 20.770 21.074 12.936 1.00 15.20 C ATOM 638 O SER A 108 21.628 21.920 12.786 1.00 12.18 O ATOM 639 CB SER A 108 20.110 21.069 15.344 1.00 20.78 C ATOM 640 OG SER A 108 20.560 19.733 15.519 1.00 18.97 O ATOM 641 HG SER A 108 21.314 19.557 14.902 1.00 0.00 H ATOM 642 H SER A 108 18.134 19.788 14.288 1.00 0.00 H ATOM 643 N GLU A 109 20.791 19.930 12.258 1.00 11.10 N ATOM 644 CA GLU A 109 21.849 19.702 11.287 1.00 12.91 C ATOM 645 C GLU A 109 21.676 20.591 10.058 1.00 12.12 C ATOM 646 O GLU A 109 22.576 20.677 9.239 1.00 10.88 O ATOM 647 CB GLU A 109 21.881 18.243 10.817 1.00 16.16 C ATOM 648 CG GLU A 109 21.549 17.263 11.875 1.00 25.05 C ATOM 649 CD GLU A 109 20.069 16.904 11.898 1.00 26.60 C ATOM 650 OE1 GLU A 109 19.532 16.443 10.850 1.00 21.65 O ATOM 651 OE2 GLU A 109 19.466 17.066 12.984 1.00 28.96 O ATOM 652 H GLU A 109 20.060 19.208 12.420 1.00 0.00 H ATOM 653 N LEU A 110 20.489 21.166 9.882 1.00 14.36 N ATOM 654 CA LEU A 110 20.221 22.059 8.753 1.00 11.04 C ATOM 655 C LEU A 110 20.078 23.487 9.266 1.00 11.30 C ATOM 656 O LEU A 110 19.641 24.377 8.542 1.00 7.72 O ATOM 657 CB LEU A 110 18.936 21.626 8.006 1.00 11.22 C ATOM 658 CG LEU A 110 18.984 20.574 6.890 1.00 16.49 C ATOM 659 CD1 LEU A 110 20.346 19.945 6.699 1.00 12.49 C ATOM 660 CD2 LEU A 110 17.933 19.513 7.108 1.00 14.81 C ATOM 661 H LEU A 110 19.729 20.976 10.566 1.00 0.00 H ATOM 662 N GLY A 111 20.419 23.682 10.531 1.00 8.37 N ATOM 663 CA GLY A 111 20.257 24.966 11.201 1.00 9.67 C ATOM 664 C GLY A 111 21.574 25.378 11.819 1.00 8.72 C ATOM 665 O GLY A 111 22.541 25.548 11.099 1.00 13.63 O ATOM 666 H GLY A 111 20.819 22.886 11.068 1.00 0.00 H ATOM 667 N TYR A 112 21.635 25.466 13.141 1.00 13.73 N ATOM 668 CA TYR A 112 22.833 25.963 13.813 1.00 11.76 C ATOM 669 C TYR A 112 23.645 24.866 14.532 1.00 19.17 C ATOM 670 O TYR A 112 24.568 25.150 15.301 1.00 22.56 O ATOM 671 CB TYR A 112 22.416 27.060 14.772 1.00 11.55 C ATOM 672 CG TYR A 112 21.890 28.267 14.016 1.00 14.57 C ATOM 673 CD1 TYR A 112 20.526 28.493 13.894 1.00 10.83 C ATOM 674 CD2 TYR A 112 22.759 29.151 13.391 1.00 16.42 C ATOM 675 CE1 TYR A 112 20.044 29.560 13.213 1.00 6.59 C ATOM 676 CE2 TYR A 112 22.284 30.238 12.690 1.00 13.27 C ATOM 677 CZ TYR A 112 20.911 30.440 12.611 1.00 11.39 C ATOM 678 OH TYR A 112 20.398 31.511 11.897 1.00 9.95 O ATOM 679 HH TYR A 112 19.409 31.498 11.949 1.00 0.00 H ATOM 680 H TYR A 112 20.814 25.176 13.710 1.00 0.00 H ATOM 681 N GLY A 113 23.320 23.615 14.244 1.00 14.80 N ATOM 682 CA GLY A 113 24.070 22.476 14.775 1.00 20.94 C ATOM 683 C GLY A 113 24.201 22.439 16.291 1.00 16.67 C ATOM 684 O GLY A 113 23.317 22.906 17.019 1.00 22.45 O ATOM 685 H GLY A 113 22.507 23.436 13.621 1.00 0.00 H ATOM 686 N GLU A 114 25.335 21.922 16.758 1.00 22.59 N ATOM 687 CA GLU A 114 25.582 21.738 18.179 1.00 22.90 C ATOM 688 C GLU A 114 25.988 22.977 18.954 1.00 20.86 C ATOM 689 O GLU A 114 25.915 22.941 20.168 1.00 34.83 O ATOM 690 CB GLU A 114 26.663 20.679 18.380 1.00 29.53 C ATOM 691 CG GLU A 114 26.227 19.258 17.998 1.00 34.69 C ATOM 692 CD GLU A 114 24.917 18.835 18.665 1.00 45.28 C ATOM 693 OE1 GLU A 114 24.159 18.064 18.036 1.00 49.38 O ATOM 694 OE2 GLU A 114 24.638 19.276 19.810 1.00 40.50 O ATOM 695 H GLU A 114 26.072 21.639 16.081 1.00 0.00 H ATOM 696 N ARG A 115 26.416 24.058 18.296 1.00 21.25 N ATOM 697 CA ARG A 115 26.762 25.280 19.032 1.00 30.61 C ATOM 698 C ARG A 115 25.583 26.248 19.123 1.00 28.60 C ATOM 699 O ARG A 115 25.529 27.121 19.993 1.00 30.01 O ATOM 700 CB ARG A 115 27.966 25.989 18.409 1.00 34.34 C ATOM 701 CG ARG A 115 27.842 26.351 16.960 1.00 45.78 C ATOM 702 CD ARG A 115 28.794 27.518 16.632 1.00 65.68 C ATOM 703 NE ARG A 115 29.006 27.685 15.191 1.00 82.32 N ATOM 704 CZ ARG A 115 28.083 28.110 14.325 1.00 76.78 C ATOM 705 NH1 ARG A 115 26.842 28.410 14.723 1.00 54.32 N ATOM 706 NH2 ARG A 115 28.399 28.209 13.038 1.00 73.19 N ATOM 707 HE ARG A 115 29.948 27.455 14.814 1.00 0.00 H ATOM 708 HH12 ARG A 115 26.139 28.739 14.031 1.00 0.00 H ATOM 709 HH11 ARG A 115 26.580 28.314 15.725 1.00 0.00 H ATOM 710 HH22 ARG A 115 27.690 28.539 12.352 1.00 0.00 H ATOM 711 HH21 ARG A 115 29.355 27.957 12.716 1.00 0.00 H ATOM 712 H ARG A 115 26.504 24.034 17.260 1.00 0.00 H ATOM 713 N GLY A 116 24.622 26.093 18.236 1.00 21.50 N ATOM 714 CA GLY A 116 23.491 26.977 18.263 1.00 17.10 C ATOM 715 C GLY A 116 23.888 28.392 17.892 1.00 27.51 C ATOM 716 O GLY A 116 24.855 28.622 17.165 1.00 28.50 O ATOM 717 H GLY A 116 24.682 25.338 17.523 1.00 0.00 H ATOM 718 N ALA A 117 23.108 29.340 18.399 1.00 23.64 N ATOM 719 CA ALA A 117 23.239 30.736 18.060 1.00 24.98 C ATOM 720 C ALA A 117 22.826 31.524 19.293 1.00 27.49 C ATOM 721 O ALA A 117 21.751 32.145 19.325 1.00 27.21 O ATOM 722 CB ALA A 117 22.377 31.090 16.854 1.00 15.68 C ATOM 723 H ALA A 117 22.367 29.062 19.073 1.00 0.00 H ATOM 724 N PRO A 118 23.680 31.491 20.325 1.00 23.99 N ATOM 725 CA PRO A 118 23.348 32.143 21.598 1.00 30.65 C ATOM 726 C PRO A 118 23.139 33.626 21.369 1.00 34.11 C ATOM 727 O PRO A 118 23.866 34.154 20.550 1.00 28.77 O ATOM 728 CB PRO A 118 24.571 31.873 22.476 1.00 27.09 C ATOM 729 CG PRO A 118 25.660 31.459 21.547 1.00 29.24 C ATOM 730 CD PRO A 118 25.037 30.914 20.312 1.00 25.40 C ATOM 731 N PRO A 119 22.175 34.274 22.061 1.00 36.98 N ATOM 732 CA PRO A 119 21.373 33.717 23.152 1.00 32.33 C ATOM 733 C PRO A 119 20.020 33.139 22.710 1.00 33.79 C ATOM 734 O PRO A 119 19.305 32.552 23.531 1.00 31.98 O ATOM 735 CB PRO A 119 21.166 34.936 24.056 1.00 45.13 C ATOM 736 CG PRO A 119 21.031 36.090 23.075 1.00 36.54 C ATOM 737 CD PRO A 119 21.855 35.702 21.846 1.00 41.94 C ATOM 738 N LYS A 120 19.648 33.302 21.444 1.00 30.24 N ATOM 739 CA LYS A 120 18.268 33.008 21.099 1.00 30.39 C ATOM 740 C LYS A 120 18.056 31.563 20.742 1.00 27.21 C ATOM 741 O LYS A 120 16.928 31.074 20.822 1.00 30.37 O ATOM 742 CB LYS A 120 17.764 33.887 19.954 1.00 34.38 C ATOM 743 CG LYS A 120 18.804 34.532 19.091 1.00 35.63 C ATOM 744 CD LYS A 120 18.126 35.312 17.969 1.00 40.94 C ATOM 745 CE LYS A 120 17.391 36.526 18.492 1.00 35.09 C ATOM 746 NZ LYS A 120 16.833 37.348 17.402 1.00 32.68 N ATOM 747 HZ1 LYS A 120 17.605 37.676 16.787 1.00 0.00 H ATOM 748 HZ2 LYS A 120 16.164 36.777 16.847 1.00 0.00 H ATOM 749 HZ3 LYS A 120 16.338 38.169 17.807 1.00 0.00 H ATOM 750 H LYS A 120 20.323 33.629 20.724 1.00 0.00 H ATOM 751 N ILE A 121 19.124 30.876 20.355 1.00 22.65 N ATOM 752 CA ILE A 121 18.980 29.517 19.872 1.00 18.40 C ATOM 753 C ILE A 121 19.972 28.607 20.576 1.00 20.11 C ATOM 754 O ILE A 121 21.161 28.838 20.516 1.00 22.03 O ATOM 755 CB ILE A 121 19.168 29.469 18.354 1.00 20.37 C ATOM 756 CG1 ILE A 121 18.025 30.238 17.689 1.00 17.95 C ATOM 757 CG2 ILE A 121 19.200 28.030 17.865 1.00 17.93 C ATOM 758 CD1 ILE A 121 18.127 30.349 16.204 1.00 19.55 C ATOM 759 H ILE A 121 20.066 31.314 20.398 1.00 0.00 H ATOM 760 N PRO A 122 19.481 27.555 21.243 1.00 25.32 N ATOM 761 CA PRO A 122 20.423 26.647 21.904 1.00 21.00 C ATOM 762 C PRO A 122 21.061 25.701 20.905 1.00 24.87 C ATOM 763 O PRO A 122 20.610 25.664 19.766 1.00 21.56 O ATOM 764 CB PRO A 122 19.548 25.867 22.891 1.00 18.77 C ATOM 765 CG PRO A 122 18.168 26.456 22.798 1.00 22.64 C ATOM 766 CD PRO A 122 18.086 27.154 21.481 1.00 28.44 C ATOM 767 N GLY A 123 22.084 24.958 21.316 1.00 16.98 N ATOM 768 CA GLY A 123 22.623 23.902 20.478 1.00 22.20 C ATOM 769 C GLY A 123 21.576 22.804 20.302 1.00 22.11 C ATOM 770 O GLY A 123 20.683 22.661 21.132 1.00 19.47 O ATOM 771 H GLY A 123 22.504 25.136 22.251 1.00 0.00 H ATOM 772 N GLY A 124 21.673 22.048 19.213 1.00 17.48 N ATOM 773 CA GLY A 124 20.811 20.906 19.000 1.00 20.51 C ATOM 774 C GLY A 124 19.340 21.204 18.759 1.00 19.50 C ATOM 775 O GLY A 124 18.547 20.276 18.689 1.00 19.87 O ATOM 776 H GLY A 124 22.388 22.284 18.495 1.00 0.00 H ATOM 777 N ALA A 125 18.969 22.474 18.597 1.00 21.17 N ATOM 778 CA ALA A 125 17.547 22.872 18.540 1.00 17.14 C ATOM 779 C ALA A 125 16.832 22.702 17.178 1.00 17.11 C ATOM 780 O ALA A 125 17.396 23.006 16.123 1.00 16.60 O ATOM 781 CB ALA A 125 17.428 24.309 18.965 1.00 18.78 C ATOM 782 H ALA A 125 19.702 23.206 18.508 1.00 0.00 H ATOM 783 N THR A 126 15.574 22.257 17.208 1.00 16.48 N ATOM 784 CA THR A 126 14.746 22.244 16.000 1.00 13.44 C ATOM 785 C THR A 126 14.050 23.604 15.865 1.00 22.63 C ATOM 786 O THR A 126 13.502 24.143 16.826 1.00 20.17 O ATOM 787 CB THR A 126 13.693 21.110 16.010 1.00 16.49 C ATOM 788 OG1 THR A 126 14.362 19.851 15.951 1.00 18.09 O ATOM 789 CG2 THR A 126 12.769 21.199 14.800 1.00 15.92 C ATOM 790 HG1 THR A 126 14.897 19.802 15.120 1.00 0.00 H ATOM 791 H THR A 126 15.175 21.914 18.105 1.00 0.00 H ATOM 792 N LEU A 127 14.058 24.144 14.659 1.00 14.04 N ATOM 793 CA LEU A 127 13.515 25.454 14.448 1.00 11.86 C ATOM 794 C LEU A 127 12.276 25.332 13.591 1.00 11.92 C ATOM 795 O LEU A 127 12.255 24.554 12.625 1.00 9.80 O ATOM 796 CB LEU A 127 14.558 26.339 13.780 1.00 11.16 C ATOM 797 CG LEU A 127 15.944 26.356 14.421 1.00 19.07 C ATOM 798 CD1 LEU A 127 16.934 27.181 13.572 1.00 20.19 C ATOM 799 CD2 LEU A 127 15.860 26.904 15.844 1.00 17.57 C ATOM 800 H LEU A 127 14.460 23.616 13.859 1.00 0.00 H ATOM 801 N VAL A 128 11.259 26.108 13.940 1.00 8.86 N ATOM 802 CA VAL A 128 10.058 26.214 13.132 1.00 9.18 C ATOM 803 C VAL A 128 9.976 27.613 12.542 1.00 14.87 C ATOM 804 O VAL A 128 9.915 28.598 13.276 1.00 11.01 O ATOM 805 CB VAL A 128 8.802 25.916 13.954 1.00 8.09 C ATOM 806 CG1 VAL A 128 7.562 25.957 13.062 1.00 16.61 C ATOM 807 CG2 VAL A 128 8.931 24.578 14.598 1.00 12.85 C ATOM 808 H VAL A 128 11.324 26.658 14.820 1.00 0.00 H ATOM 809 N PHE A 129 9.993 27.709 11.215 1.00 10.38 N ATOM 810 CA PHE A 129 9.779 28.999 10.574 1.00 11.83 C ATOM 811 C PHE A 129 8.483 28.996 9.770 1.00 12.60 C ATOM 812 O PHE A 129 8.218 28.079 8.987 1.00 18.71 O ATOM 813 CB PHE A 129 10.938 29.373 9.636 1.00 9.53 C ATOM 814 CG PHE A 129 12.240 29.659 10.327 1.00 4.39 C ATOM 815 CD1 PHE A 129 13.168 28.649 10.547 1.00 4.50 C ATOM 816 CD2 PHE A 129 12.560 30.963 10.700 1.00 6.90 C ATOM 817 CE1 PHE A 129 14.429 28.930 11.158 1.00 5.07 C ATOM 818 CE2 PHE A 129 13.786 31.273 11.293 1.00 8.47 C ATOM 819 CZ PHE A 129 14.732 30.252 11.529 1.00 6.23 C ATOM 820 H PHE A 129 10.159 26.862 10.635 1.00 0.00 H ATOM 821 N GLU A 130 7.699 30.048 9.963 1.00 10.24 N ATOM 822 CA GLU A 130 6.588 30.376 9.101 1.00 13.21 C ATOM 823 C GLU A 130 7.013 31.542 8.210 1.00 10.35 C ATOM 824 O GLU A 130 7.417 32.588 8.703 1.00 12.98 O ATOM 825 CB GLU A 130 5.354 30.732 9.931 1.00 18.68 C ATOM 826 CG GLU A 130 4.455 29.527 10.189 1.00 33.41 C ATOM 827 CD GLU A 130 3.947 29.447 11.608 1.00 40.11 C ATOM 828 OE1 GLU A 130 3.752 30.509 12.246 1.00 35.37 O ATOM 829 OE2 GLU A 130 3.747 28.308 12.088 1.00 42.09 O ATOM 830 H GLU A 130 7.894 30.667 10.775 1.00 0.00 H ATOM 831 N VAL A 131 6.945 31.342 6.903 1.00 6.16 N ATOM 832 CA VAL A 131 7.467 32.302 5.962 1.00 13.81 C ATOM 833 C VAL A 131 6.458 32.595 4.846 1.00 11.22 C ATOM 834 O VAL A 131 5.614 31.764 4.506 1.00 9.60 O ATOM 835 CB VAL A 131 8.821 31.808 5.318 1.00 15.36 C ATOM 836 CG1 VAL A 131 9.851 31.430 6.378 1.00 13.32 C ATOM 837 CG2 VAL A 131 8.606 30.645 4.375 1.00 12.91 C ATOM 838 H VAL A 131 6.504 30.470 6.546 1.00 0.00 H ATOM 839 N GLU A 132 6.577 33.791 4.291 1.00 11.25 N ATOM 840 CA GLU A 132 5.766 34.274 3.188 1.00 7.85 C ATOM 841 C GLU A 132 6.642 34.983 2.177 1.00 8.91 C ATOM 842 O GLU A 132 7.353 35.884 2.549 1.00 9.28 O ATOM 843 CB GLU A 132 4.713 35.252 3.672 1.00 7.18 C ATOM 844 CG GLU A 132 3.789 35.661 2.563 1.00 15.78 C ATOM 845 CD GLU A 132 2.809 36.737 2.970 1.00 24.24 C ATOM 846 OE1 GLU A 132 2.846 37.180 4.144 1.00 21.86 O ATOM 847 OE2 GLU A 132 2.005 37.138 2.097 1.00 42.01 O ATOM 848 H GLU A 132 7.303 34.430 4.672 1.00 0.00 H ATOM 849 N LEU A 133 6.580 34.578 0.913 1.00 8.99 N ATOM 850 CA LEU A 133 7.296 35.245 -0.178 1.00 12.25 C ATOM 851 C LEU A 133 6.537 36.476 -0.686 1.00 13.07 C ATOM 852 O LEU A 133 5.423 36.329 -1.178 1.00 8.94 O ATOM 853 CB LEU A 133 7.497 34.257 -1.334 1.00 8.62 C ATOM 854 CG LEU A 133 8.373 34.718 -2.502 1.00 14.28 C ATOM 855 CD1 LEU A 133 9.760 35.188 -2.018 1.00 11.65 C ATOM 856 CD2 LEU A 133 8.537 33.628 -3.539 1.00 10.05 C ATOM 857 H LEU A 133 5.995 33.748 0.687 1.00 0.00 H ATOM 858 N LEU A 134 7.145 37.663 -0.576 1.00 9.17 N ATOM 859 CA LEU A 134 6.541 38.908 -1.037 1.00 13.20 C ATOM 860 C LEU A 134 6.945 39.302 -2.444 1.00 13.21 C ATOM 861 O LEU A 134 6.168 39.930 -3.146 1.00 12.25 O ATOM 862 CB LEU A 134 6.918 40.069 -0.113 1.00 13.14 C ATOM 863 CG LEU A 134 6.669 39.864 1.379 1.00 13.53 C ATOM 864 CD1 LEU A 134 6.872 41.172 2.090 1.00 21.66 C ATOM 865 CD2 LEU A 134 5.273 39.299 1.652 1.00 15.93 C ATOM 866 H LEU A 134 8.090 37.699 -0.143 1.00 0.00 H ATOM 867 N LYS A 135 8.167 38.973 -2.844 1.00 13.37 N ATOM 868 CA LYS A 135 8.695 39.474 -4.106 1.00 13.90 C ATOM 869 C LYS A 135 9.874 38.646 -4.624 1.00 13.90 C ATOM 870 O LYS A 135 10.713 38.203 -3.832 1.00 9.42 O ATOM 871 CB LYS A 135 9.114 40.925 -3.896 1.00 18.83 C ATOM 872 CG LYS A 135 9.548 41.675 -5.131 1.00 21.25 C ATOM 873 CD LYS A 135 9.913 43.103 -4.769 1.00 18.96 C ATOM 874 CE LYS A 135 10.484 43.852 -5.964 1.00 37.08 C ATOM 875 NZ LYS A 135 9.670 43.637 -7.202 1.00 65.31 N ATOM 876 HZ1 LYS A 135 9.652 42.623 -7.432 1.00 0.00 H ATOM 877 HZ2 LYS A 135 8.700 43.974 -7.040 1.00 0.00 H ATOM 878 HZ3 LYS A 135 10.095 44.165 -7.991 1.00 0.00 H ATOM 879 H LYS A 135 8.753 38.352 -2.251 1.00 0.00 H ATOM 880 N ILE A 136 9.932 38.421 -5.942 1.00 13.98 N ATOM 881 CA ILE A 136 11.092 37.771 -6.555 1.00 9.38 C ATOM 882 C ILE A 136 11.754 38.813 -7.422 1.00 12.03 C ATOM 883 O ILE A 136 11.127 39.405 -8.274 1.00 14.72 O ATOM 884 CB ILE A 136 10.742 36.521 -7.393 1.00 14.52 C ATOM 885 CG1 ILE A 136 10.162 35.415 -6.508 1.00 10.10 C ATOM 886 CG2 ILE A 136 11.990 35.974 -8.093 1.00 17.23 C ATOM 887 CD1 ILE A 136 9.344 34.419 -7.272 1.00 19.92 C ATOM 888 H ILE A 136 9.136 38.714 -6.544 1.00 0.00 H ATOM 889 N GLU A 137 13.031 39.032 -7.163 1.00 13.23 N ATOM 890 CA GLU A 137 13.839 39.986 -7.880 1.00 13.05 C ATOM 891 C GLU A 137 14.883 39.161 -8.594 1.00 17.76 C ATOM 892 O GLU A 137 15.732 38.546 -7.947 1.00 20.64 O ATOM 893 CB GLU A 137 14.451 40.973 -6.902 1.00 21.63 C ATOM 894 CG GLU A 137 14.536 42.404 -7.351 1.00 35.24 C ATOM 895 CD GLU A 137 15.266 43.221 -6.320 1.00 32.34 C ATOM 896 OE1 GLU A 137 14.729 43.325 -5.201 1.00 31.90 O ATOM 897 OE2 GLU A 137 16.384 43.709 -6.610 1.00 36.31 O ATOM 898 H GLU A 137 13.478 38.486 -6.399 1.00 0.00 H ATOM 899 N ARG A 138 14.767 39.087 -9.915 1.00 11.76 N ATOM 900 CA ARG A 138 15.579 38.199 -10.719 1.00 14.26 C ATOM 901 C ARG A 138 16.278 38.989 -11.807 1.00 16.65 C ATOM 902 O ARG A 138 15.642 39.733 -12.562 1.00 26.46 O ATOM 903 CB ARG A 138 14.706 37.092 -11.339 1.00 14.05 C ATOM 904 CG ARG A 138 15.421 36.178 -12.372 1.00 15.03 C ATOM 905 CD ARG A 138 14.475 35.117 -12.909 1.00 13.13 C ATOM 906 NE ARG A 138 13.953 34.277 -11.826 1.00 21.42 N ATOM 907 CZ ARG A 138 12.955 33.403 -11.952 1.00 19.03 C ATOM 908 NH1 ARG A 138 12.348 33.226 -13.114 1.00 20.44 N ATOM 909 NH2 ARG A 138 12.556 32.701 -10.910 1.00 18.27 N ATOM 910 HE ARG A 138 14.395 34.370 -10.889 1.00 0.00 H ATOM 911 HH12 ARG A 138 11.571 32.540 -13.195 1.00 0.00 H ATOM 912 HH11 ARG A 138 12.648 33.773 -13.946 1.00 0.00 H ATOM 913 HH22 ARG A 138 11.777 32.019 -11.010 1.00 0.00 H ATOM 914 HH21 ARG A 138 13.020 32.829 -9.988 1.00 0.00 H ATOM 915 H ARG A 138 14.066 39.690 -10.390 1.00 0.00 H ATOM 916 N ARG A 139 17.582 38.813 -11.911 1.00 27.20 N ATOM 917 CA ARG A 139 18.320 39.493 -12.949 1.00 39.07 C ATOM 918 C ARG A 139 17.956 38.865 -14.287 1.00 37.00 C ATOM 919 O ARG A 139 18.252 37.702 -14.537 1.00 42.13 O ATOM 920 CB ARG A 139 19.820 39.418 -12.697 1.00 44.12 C ATOM 921 CG ARG A 139 20.601 40.304 -13.634 1.00 52.09 C ATOM 922 CD ARG A 139 22.077 40.105 -13.459 1.00 60.28 C ATOM 923 NE ARG A 139 22.825 40.614 -14.603 1.00 69.45 N ATOM 924 CZ ARG A 139 24.147 40.753 -14.612 1.00 65.50 C ATOM 925 NH1 ARG A 139 24.766 41.224 -15.692 1.00 60.72 N ATOM 926 NH2 ARG A 139 24.850 40.429 -13.531 1.00 55.28 N ATOM 927 HE ARG A 139 22.296 40.882 -15.457 1.00 0.00 H ATOM 928 HH12 ARG A 139 25.801 41.331 -15.693 1.00 0.00 H ATOM 929 HH11 ARG A 139 24.215 41.485 -16.535 1.00 0.00 H ATOM 930 HH22 ARG A 139 25.885 40.536 -13.532 1.00 0.00 H ATOM 931 HH21 ARG A 139 24.365 40.069 -12.684 1.00 0.00 H ATOM 932 H ARG A 139 18.077 38.185 -11.246 1.00 0.00 H ATOM 933 N THR A 140 17.313 39.650 -15.143 1.00 46.06 N ATOM 934 CA THR A 140 16.778 39.134 -16.396 1.00 50.07 C ATOM 935 C THR A 140 17.758 39.198 -17.554 1.00 53.47 C ATOM 936 O THR A 140 17.905 38.220 -18.275 1.00 52.35 O ATOM 937 CB THR A 140 15.514 39.888 -16.804 1.00 51.88 C ATOM 938 OG1 THR A 140 15.541 41.209 -16.239 1.00 60.55 O ATOM 939 CG2 THR A 140 14.279 39.125 -16.319 1.00 50.05 C ATOM 940 HG1 THR A 140 14.721 41.697 -16.504 1.00 0.00 H ATOM 941 H THR A 140 17.188 40.657 -14.914 1.00 0.00 H ATOM 942 N GLU A 141 18.424 40.333 -17.745 1.00 58.28 N ATOM 943 CA GLU A 141 19.353 40.463 -18.863 1.00 57.99 C ATOM 944 C GLU A 141 20.759 40.004 -18.487 1.00 57.51 C ATOM 945 O GLU A 141 21.089 39.764 -17.320 1.00 52.79 O ATOM 946 CB GLU A 141 19.398 41.905 -19.386 1.00 62.39 C ATOM 947 CG GLU A 141 19.062 42.028 -20.885 1.00 69.97 C ATOM 948 CD GLU A 141 17.561 42.154 -21.176 1.00 85.23 C ATOM 949 OE1 GLU A 141 17.212 42.702 -22.251 1.00 79.02 O ATOM 950 OE2 GLU A 141 16.731 41.705 -20.347 1.00 81.63 O ATOM 951 H GLU A 141 18.282 41.132 -17.094 1.00 0.00 H ATOM 952 N LEU A 142 21.580 39.896 -19.520 1.00 60.41 N ATOM 953 CA LEU A 142 22.923 39.364 -19.414 1.00 54.92 C ATOM 954 C LEU A 142 23.912 40.403 -18.880 1.00 58.79 C ATOM 955 O LEU A 142 25.041 40.050 -18.507 1.00 51.64 O ATOM 956 CB LEU A 142 23.359 38.870 -20.787 1.00 43.98 C ATOM 957 CG LEU A 142 24.278 37.659 -20.872 1.00 50.89 C ATOM 958 CD1 LEU A 142 23.774 36.523 -20.066 1.00 60.78 C ATOM 959 CD2 LEU A 142 24.402 37.198 -22.302 1.00 42.13 C ATOM 960 OXT LEU A 142 23.607 41.606 -18.806 1.00 56.72 O ATOM 961 H LEU A 142 21.244 40.208 -20.453 1.00 0.00 H TER 962 LEU A 142 HETATM 963 O HOH 1 22.842 37.971 5.076 1.00 10.67 O HETATM 964 O HOH 2 16.694 42.819 7.415 1.00 13.36 O HETATM 965 O HOH 3 14.281 41.681 8.456 1.00 12.68 O HETATM 966 O HOH 4 19.433 24.928 14.979 1.00 11.02 O HETATM 967 O HOH 5 20.994 24.830 17.183 1.00 18.42 O HETATM 968 O HOH 6 22.745 25.326 8.231 1.00 12.73 O HETATM 969 O HOH 7 22.771 19.198 15.868 1.00 20.34 O HETATM 970 O HOH 8 6.437 21.548 18.317 1.00 40.15 O HETATM 971 O HOH 9 6.522 33.568 22.053 1.00 23.23 O HETATM 972 O HOH 10 15.696 44.071 4.817 1.00 10.69 O HETATM 973 O HOH 11 20.873 40.129 0.160 1.00 26.43 O HETATM 974 O HOH 12 17.437 16.492 14.977 1.00 34.37 O HETATM 975 O HOH 13 17.173 19.270 15.563 1.00 23.04 O HETATM 976 O HOH 14 20.680 38.692 -8.484 1.00 30.28 O HETATM 977 O HOH 15 16.772 26.399 -9.070 1.00 23.64 O HETATM 978 O HOH 16 13.766 25.251 -9.114 1.00 28.73 O HETATM 979 O HOH 17 18.391 40.346 -8.866 1.00 24.73 O HETATM 980 O HOH 18 16.914 44.111 -3.181 1.00 32.41 O HETATM 981 O HOH 19 6.715 25.722 17.922 1.00 25.13 O HETATM 982 O HOH 20 13.348 24.151 19.656 1.00 21.84 O HETATM 983 O HOH 21 14.282 35.105 22.242 1.00 36.77 O HETATM 984 O HOH 22 10.617 43.033 13.325 1.00 17.30 O HETATM 985 O HOH 23 5.452 44.397 4.881 1.00 30.21 O HETATM 986 O HOH 24 21.314 31.593 0.355 1.00 8.27 O HETATM 987 O HOH 25 24.092 26.207 -1.920 1.00 37.87 O HETATM 988 O HOH 26 25.126 35.299 -0.738 1.00 27.01 O HETATM 989 O HOH 27 22.682 27.549 2.740 1.00 19.02 O HETATM 990 O HOH 28 14.256 22.741 4.607 1.00 15.07 O HETATM 991 O HOH 29 14.147 21.007 6.917 1.00 13.69 O HETATM 992 O HOH 30 21.829 24.451 -1.694 1.00 40.20 O HETATM 993 O HOH 31 13.883 20.184 -0.923 1.00 18.33 O HETATM 994 O HOH 32 12.497 23.619 -1.692 1.00 10.03 O HETATM 995 O HOH 33 10.385 22.133 -0.290 1.00 16.84 O HETATM 996 O HOH 34 7.823 23.069 2.071 1.00 23.57 O HETATM 997 O HOH 35 7.869 39.593 -7.652 1.00 13.93 O HETATM 998 O HOH 36 5.004 34.069 -8.560 1.00 22.83 O HETATM 999 O HOH 37 2.415 34.608 -7.772 1.00 33.53 O HETATM 1000 O HOH 38 10.433 31.116 -12.795 1.00 17.60 O HETATM 1001 O HOH 39 19.149 25.527 -2.729 1.00 27.22 O HETATM 1002 O HOH 40 19.952 23.033 -2.371 1.00 43.79 O HETATM 1003 O HOH 41 22.947 25.973 0.083 1.00 34.70 O HETATM 1004 O HOH 42 21.480 36.821 -6.571 1.00 26.35 O HETATM 1005 O HOH 43 11.942 44.697 0.638 1.00 21.77 O HETATM 1006 O HOH 44 9.587 44.391 0.490 1.00 36.86 O HETATM 1007 O HOH 45 16.196 40.129 16.314 1.00 44.63 O HETATM 1008 O HOH 46 6.767 36.848 21.202 1.00 37.93 O HETATM 1009 O HOH 47 8.788 35.670 22.370 1.00 41.22 O HETATM 1010 O HOH 48 3.566 42.141 14.649 1.00 29.95 O HETATM 1011 O HOH 49 4.699 48.335 11.510 1.00 40.81 O HETATM 1012 O HOH 50 3.386 25.847 0.153 1.00 22.05 O HETATM 1013 O HOH 51 0.226 29.564 0.891 1.00 13.78 O HETATM 1014 O HOH 52 15.487 15.143 13.482 1.00 34.30 O HETATM 1015 O HOH 53 13.345 14.019 15.024 1.00 27.17 O HETATM 1016 O HOH 54 26.677 25.832 13.501 1.00 33.73 O HETATM 1017 O HOH 55 5.982 21.927 13.727 1.00 20.92 O HETATM 1018 O HOH 56 3.218 21.540 11.252 1.00 26.98 O HETATM 1019 O HOH 57 2.495 22.648 6.457 1.00 19.43 O HETATM 1020 O HOH 58 3.453 29.756 7.165 1.00 26.61 O HETATM 1021 O HOH 59 -1.191 35.965 8.725 1.00 43.01 O HETATM 1022 O HOH 60 3.629 36.635 6.429 1.00 36.55 O HETATM 1023 C1 FK A 5 19.643 32.871 8.829 1.00 0.26 C HETATM 1024 C2 FK A 5 18.257 32.557 9.325 1.00 0.15 C HETATM 1025 C3 FK A 5 17.336 32.412 8.118 1.00 -0.01 C HETATM 1026 C4 FK A 5 16.989 33.731 7.487 1.00 -0.05 C HETATM 1027 C5 FK A 5 16.397 34.702 8.495 1.00 -0.03 C HETATM 1028 C6 FK A 5 17.272 34.856 9.726 1.00 0.04 C HETATM 1029 N7 FK A 5 17.695 33.548 10.251 1.00 -0.25 N HETATM 1030 C8 FK A 5 17.535 33.224 11.545 1.00 0.22 C HETATM 1031 C9 FK A 5 16.974 34.117 12.413 1.00 0.20 C HETATM 1032 C10 FK A 5 17.789 35.112 13.210 1.00 0.21 C HETATM 1033 C11 FK A 5 19.097 34.501 13.696 1.00 0.02 C HETATM 1034 C12 FK A 5 19.988 35.629 14.253 1.00 -0.02 C HETATM 1035 C13 FK A 5 20.130 36.724 13.208 1.00 0.09 C HETATM 1036 C14 FK A 5 18.745 37.279 12.921 1.00 0.11 C HETATM 1037 C15 FK A 5 18.689 38.493 11.982 1.00 0.09 C HETATM 1038 C16 FK A 5 19.515 38.370 10.683 1.00 -0.02 C HETATM 1039 C17 FK A 5 19.305 39.564 9.737 1.00 -0.04 C HETATM 1040 C18 FK A 5 20.263 40.734 10.042 1.00 -0.05 C HETATM 1041 C19 FK A 5 21.646 40.433 9.495 1.00 -0.04 C HETATM 1042 C20 FK A 5 22.670 39.876 10.379 1.00 -0.05 C HETATM 1043 C21 FK A 5 23.995 39.362 9.919 1.00 -0.01 C HETATM 1044 C22 FK A 5 23.824 37.946 9.494 1.00 0.06 C HETATM 1045 C23 FK A 5 23.568 37.558 8.072 1.00 0.00 C HETATM 1046 C24 FK A 5 23.219 36.075 8.025 1.00 0.06 C HETATM 1047 C25 FK A 5 21.838 35.667 8.624 1.00 0.02 C HETATM 1048 C26 FK A 5 21.557 34.149 8.593 1.00 0.12 C HETATM 1049 C27 FK A 5 22.614 33.474 9.398 1.00 -0.05 C HETATM 1050 C28 FK A 5 23.528 32.551 8.755 1.00 -0.10 C HETATM 1051 C29 FK A 5 24.669 31.927 9.517 1.00 -0.03 C HETATM 1052 C30 FK A 5 24.613 30.401 9.348 1.00 -0.02 C HETATM 1053 C31 FK A 5 25.829 29.765 10.001 1.00 0.09 C HETATM 1054 C32 FK A 5 27.059 30.273 9.240 1.00 0.08 C HETATM 1055 C33 FK A 5 27.193 31.784 9.453 1.00 -0.02 C HETATM 1056 C34 FK A 5 25.955 32.536 8.978 1.00 -0.04 C HETATM 1057 H40 FK A 5 26.022 33.580 9.319 1.00 0.03 H HETATM 1058 H41 FK A 5 25.925 32.510 7.879 1.00 0.03 H HETATM 1059 H38 FK A 5 28.067 32.146 8.891 1.00 0.03 H HETATM 1060 H39 FK A 5 27.339 31.981 10.525 1.00 0.03 H HETATM 1061 O12 FK A 5 28.263 29.674 9.664 1.00 -0.39 O HETATM 1062 H77 FK A 5 28.207 28.733 9.543 1.00 0.21 H HETATM 1063 H37 FK A 5 26.917 30.063 8.170 1.00 0.06 H HETATM 1064 O11 FK A 5 25.690 28.355 10.058 1.00 -0.38 O HETATM 1065 C45 FK A 5 25.465 27.791 8.780 1.00 0.04 C HETATM 1066 H70 FK A 5 25.364 26.700 8.873 1.00 0.05 H HETATM 1067 H71 FK A 5 26.314 28.025 8.121 1.00 0.05 H HETATM 1068 H72 FK A 5 24.542 28.209 8.352 1.00 0.05 H HETATM 1069 H36 FK A 5 25.902 30.125 11.038 1.00 0.06 H HETATM 1070 H34 FK A 5 24.602 30.152 8.277 1.00 0.03 H HETATM 1071 H35 FK A 5 23.699 30.014 9.823 1.00 0.03 H HETATM 1072 H33 FK A 5 24.579 32.167 10.587 1.00 0.04 H HETATM 1073 H32 FK A 5 23.388 32.304 7.704 1.00 0.02 H HETATM 1074 C42 FK A 5 22.706 33.773 10.856 1.00 -0.04 C HETATM 1075 H61 FK A 5 23.533 33.197 11.297 1.00 0.04 H HETATM 1076 H62 FK A 5 21.762 33.495 11.348 1.00 0.04 H HETATM 1077 H63 FK A 5 22.891 34.848 10.999 1.00 0.04 H HETATM 1078 O1 FK A 5 20.295 33.888 9.188 1.00 -0.26 O HETATM 1079 H31 FK A 5 21.569 33.780 7.557 1.00 0.08 H HETATM 1080 C41 FK A 5 20.635 36.369 7.987 1.00 -0.06 C HETATM 1081 H58 FK A 5 20.800 37.456 7.992 1.00 0.02 H HETATM 1082 H59 FK A 5 19.727 36.134 8.561 1.00 0.02 H HETATM 1083 H60 FK A 5 20.514 36.021 6.951 1.00 0.02 H HETATM 1084 H30 FK A 5 21.868 35.971 9.681 1.00 0.04 H HETATM 1085 O10 FK A 5 23.269 35.846 6.642 1.00 -0.39 O HETATM 1086 H76 FK A 5 22.593 36.357 6.213 1.00 0.21 H HETATM 1087 H29 FK A 5 23.994 35.493 8.546 1.00 0.06 H HETATM 1088 H27 FK A 5 24.469 37.745 7.469 1.00 0.03 H HETATM 1089 H28 FK A 5 22.730 38.148 7.672 1.00 0.03 H HETATM 1090 O9 FK A 5 23.903 36.940 10.462 1.00 -0.39 O HETATM 1091 H75 FK A 5 24.068 37.332 11.312 1.00 0.21 H HETATM 1092 H26 FK A 5 24.907 37.873 9.315 1.00 0.06 H HETATM 1093 C38 FK A 5 24.981 39.278 11.093 1.00 -0.05 C HETATM 1094 C39 FK A 5 25.462 40.648 11.491 1.00 -0.06 C HETATM 1095 C40 FK A 5 26.836 41.045 11.186 1.00 -0.07 C HETATM 1096 H55 FK A 5 27.010 42.069 11.547 1.00 0.02 H HETATM 1097 H56 FK A 5 26.996 41.007 10.098 1.00 0.02 H HETATM 1098 H57 FK A 5 27.535 40.357 11.684 1.00 0.02 H HETATM 1099 H53 FK A 5 25.341 40.725 12.582 1.00 0.03 H HETATM 1100 H54 FK A 5 24.802 41.375 10.996 1.00 0.03 H HETATM 1101 H51 FK A 5 25.845 38.666 10.794 1.00 0.03 H HETATM 1102 H52 FK A 5 24.479 38.809 11.952 1.00 0.03 H HETATM 1103 H25 FK A 5 24.391 39.989 9.107 1.00 0.03 H HETATM 1104 H23 FK A 5 22.188 39.032 10.895 1.00 0.03 H HETATM 1105 H24 FK A 5 22.897 40.670 11.106 1.00 0.03 H HETATM 1106 C37 FK A 5 21.933 40.719 8.055 1.00 -0.06 C HETATM 1107 H48 FK A 5 21.032 41.131 7.576 1.00 0.02 H HETATM 1108 H49 FK A 5 22.225 39.788 7.547 1.00 0.02 H HETATM 1109 H50 FK A 5 22.753 41.449 7.982 1.00 0.02 H HETATM 1110 H22 FK A 5 21.326 39.415 9.229 1.00 0.03 H HETATM 1111 H20 FK A 5 20.326 40.878 11.131 1.00 0.03 H HETATM 1112 H21 FK A 5 19.878 41.651 9.572 1.00 0.03 H HETATM 1113 C36 FK A 5 17.846 40.041 9.809 1.00 -0.06 C HETATM 1114 H45 FK A 5 17.174 39.199 9.590 1.00 0.02 H HETATM 1115 H46 FK A 5 17.685 40.840 9.071 1.00 0.02 H HETATM 1116 H47 FK A 5 17.635 40.425 10.818 1.00 0.02 H HETATM 1117 H19 FK A 5 19.507 39.222 8.711 1.00 0.03 H HETATM 1118 H17 FK A 5 19.216 37.449 10.161 1.00 0.03 H HETATM 1119 H18 FK A 5 20.581 38.312 10.947 1.00 0.03 H HETATM 1120 O8 FK A 5 19.092 39.643 12.700 1.00 -0.38 O HETATM 1121 C44 FK A 5 18.034 40.259 13.387 1.00 0.04 C HETATM 1122 H67 FK A 5 18.410 41.143 13.923 1.00 0.05 H HETATM 1123 H68 FK A 5 17.602 39.549 14.108 1.00 0.05 H HETATM 1124 H69 FK A 5 17.261 40.568 12.668 1.00 0.05 H HETATM 1125 H16 FK A 5 17.639 38.623 11.683 1.00 0.06 H HETATM 1126 O5 FK A 5 18.019 36.215 12.340 1.00 -0.34 O HETATM 1127 H15 FK A 5 18.282 37.570 13.876 1.00 0.06 H HETATM 1128 O7 FK A 5 21.041 37.700 13.650 1.00 -0.38 O HETATM 1129 C43 FK A 5 22.332 37.131 13.748 1.00 0.04 C HETATM 1130 H64 FK A 5 23.044 37.895 14.094 1.00 0.05 H HETATM 1131 H65 FK A 5 22.644 36.758 12.761 1.00 0.05 H HETATM 1132 H66 FK A 5 22.312 36.297 14.465 1.00 0.05 H HETATM 1133 H14 FK A 5 20.527 36.285 12.281 1.00 0.06 H HETATM 1134 H12 FK A 5 20.981 35.225 14.498 1.00 0.03 H HETATM 1135 H13 FK A 5 19.527 36.046 15.161 1.00 0.03 H HETATM 1136 C35 FK A 5 18.903 33.416 14.740 1.00 -0.06 C HETATM 1137 H42 FK A 5 18.266 32.620 14.327 1.00 0.02 H HETATM 1138 H43 FK A 5 18.422 33.846 15.631 1.00 0.02 H HETATM 1139 H44 FK A 5 19.881 32.996 15.018 1.00 0.02 H HETATM 1140 H11 FK A 5 19.603 34.047 12.832 1.00 0.04 H HETATM 1141 O6 FK A 5 17.033 35.566 14.355 1.00 -0.36 O HETATM 1142 H74 FK A 5 16.203 35.923 14.063 1.00 0.21 H HETATM 1143 O4 FK A 5 15.600 34.125 12.506 1.00 -0.37 O HETATM 1144 H73 FK A 5 15.344 33.965 13.407 1.00 0.21 H HETATM 1145 H10 FK A 5 17.052 33.389 13.234 1.00 0.09 H HETATM 1146 O3 FK A 5 17.877 31.967 12.046 1.00 -0.39 O HETATM 1147 H8 FK A 5 16.705 35.388 10.504 1.00 0.05 H HETATM 1148 H9 FK A 5 18.165 35.440 9.460 1.00 0.05 H HETATM 1149 H6 FK A 5 15.410 34.331 8.807 1.00 0.03 H HETATM 1150 H7 FK A 5 16.284 35.685 8.015 1.00 0.03 H HETATM 1151 H4 FK A 5 16.256 33.560 6.685 1.00 0.03 H HETATM 1152 H5 FK A 5 17.902 34.173 7.061 1.00 0.03 H HETATM 1153 H2 FK A 5 16.406 31.922 8.443 1.00 0.03 H HETATM 1154 H3 FK A 5 17.838 31.785 7.367 1.00 0.03 H HETATM 1155 H1 FK A 5 18.301 31.595 9.856 1.00 0.08 H HETATM 1156 O2 FK A 5 20.178 31.958 7.940 1.00 -0.37 O CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 19 18 532 CONECT 532 19 531 CONECT 1023 1024 1078 1156 CONECT 1024 1023 1025 1029 1155 CONECT 1025 1024 1026 1153 1154 CONECT 1026 1025 1027 1151 1152 CONECT 1027 1026 1028 1149 1150 CONECT 1028 1027 1029 1147 1148 CONECT 1029 1024 1028 1030 CONECT 1030 1029 1031 1146 CONECT 1031 1030 1032 1143 1145 CONECT 1032 1031 1033 1126 1141 CONECT 1033 1032 1034 1136 1140 CONECT 1034 1033 1035 1134 1135 CONECT 1035 1034 1036 1128 1133 CONECT 1036 1035 1037 1126 1127 CONECT 1037 1036 1038 1120 1125 CONECT 1038 1037 1039 1118 1119 CONECT 1039 1038 1040 1113 1117 CONECT 1040 1039 1041 1111 1112 CONECT 1041 1040 1042 1106 1110 CONECT 1042 1041 1043 1104 1105 CONECT 1043 1042 1044 1093 1103 CONECT 1044 1043 1045 1090 1092 CONECT 1045 1044 1046 1088 1089 CONECT 1046 1045 1047 1085 1087 CONECT 1047 1046 1048 1080 1084 CONECT 1048 1047 1049 1078 1079 CONECT 1049 1048 1050 1074 CONECT 1050 1049 1051 1073 CONECT 1051 1050 1052 1056 1072 CONECT 1052 1051 1053 1070 1071 CONECT 1053 1052 1054 1064 1069 CONECT 1054 1053 1055 1061 1063 CONECT 1055 1054 1056 1059 1060 CONECT 1056 1051 1055 1057 1058 CONECT 1057 1056 CONECT 1058 1056 CONECT 1059 1055 CONECT 1060 1055 CONECT 1061 1054 1062 CONECT 1062 1061 CONECT 1063 1054 CONECT 1064 1053 1065 CONECT 1065 1064 1066 1067 1068 CONECT 1066 1065 CONECT 1067 1065 CONECT 1068 1065 CONECT 1069 1053 CONECT 1070 1052 CONECT 1071 1052 CONECT 1072 1051 CONECT 1073 1050 CONECT 1074 1049 1075 1076 1077 CONECT 1075 1074 CONECT 1076 1074 CONECT 1077 1074 CONECT 1078 1023 1048 CONECT 1079 1048 CONECT 1080 1047 1081 1082 1083 CONECT 1081 1080 CONECT 1082 1080 CONECT 1083 1080 CONECT 1084 1047 CONECT 1085 1046 1086 CONECT 1086 1085 CONECT 1087 1046 CONECT 1088 1045 CONECT 1089 1045 CONECT 1090 1044 1091 CONECT 1091 1090 CONECT 1092 1044 CONECT 1093 1043 1094 1101 1102 CONECT 1094 1093 1095 1099 1100 CONECT 1095 1094 1096 1097 1098 CONECT 1096 1095 CONECT 1097 1095 CONECT 1098 1095 CONECT 1099 1094 CONECT 1100 1094 CONECT 1101 1093 CONECT 1102 1093 CONECT 1103 1043 CONECT 1104 1042 CONECT 1105 1042 CONECT 1106 1041 1107 1108 1109 CONECT 1107 1106 CONECT 1108 1106 CONECT 1109 1106 CONECT 1110 1041 CONECT 1111 1040 CONECT 1112 1040 CONECT 1113 1039 1114 1115 1116 CONECT 1114 1113 CONECT 1115 1113 CONECT 1116 1113 CONECT 1117 1039 CONECT 1118 1038 CONECT 1119 1038 CONECT 1120 1037 1121 CONECT 1121 1120 1122 1123 1124 CONECT 1122 1121 CONECT 1123 1121 CONECT 1124 1121 CONECT 1125 1037 CONECT 1126 1032 1036 CONECT 1127 1036 CONECT 1128 1035 1129 CONECT 1129 1128 1130 1131 1132 CONECT 1130 1129 CONECT 1131 1129 CONECT 1132 1129 CONECT 1133 1035 CONECT 1134 1034 CONECT 1135 1034 CONECT 1136 1033 1137 1138 1139 CONECT 1137 1136 CONECT 1138 1136 CONECT 1139 1136 CONECT 1140 1033 CONECT 1141 1032 1142 CONECT 1142 1141 CONECT 1143 1031 1144 CONECT 1144 1143 CONECT 1145 1031 CONECT 1146 1030 CONECT 1147 1028 CONECT 1148 1028 CONECT 1149 1027 CONECT 1150 1027 CONECT 1151 1026 CONECT 1152 1026 CONECT 1153 1025 CONECT 1154 1025 CONECT 1155 1024 CONECT 1156 1023 MASTER 0 0 0 0 0 0 0 0 1155 1 140 8 END
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Structure:
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Protein
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Related entries of code: 4nnr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fkf
RCSB PDB
PDBbind
FK5
3ihz
RCSB PDB
PDBbind
FK5
5d75
RCSB PDB
PDBbind
FK5
Entry Information
PDB ID
4nnr
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Peptidyl-prolyl cis-trans isomerase FKBP2
Ligand Name
FK5
EC.Number
E.C.5.2.1.8
Resolution
1.98(Å)
Affinity (Kd/Ki/IC50)
Kd=55nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(1994) J.Am.Chem.Soc. Vol. 116: pp. 3129-3130
Ligand Properties
Formula
C
4
4
H
7
7
NO
1
2
Molecular Weight
812.082
Exact Mass
811.545
No. of atoms
134
No. of bonds
137
Polar Surface Area
184.68
LOGP Value
5.48 (
Computed with XLOGP3
)
4.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 4
Canonical SMILES
CCC[C@@H]1C[C@H](C)C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)[C@H](C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](C[C@@H]1O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2)O
InChI String
InChI=1S/C44H77NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h21,25-26,28-41,46-49,52H,10-20,22-24H2,1-9H3/b27-21+/t25-,26+,28-,29-,30+,31-,32+,33-,34+,35+,36-,37+,38+,39-,40-,41+,44-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P26885
Entrez Gene ID
NCBI Entrez Gene ID:
2286
ASD
Information of known allosteric effects of PDB entries
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