Browse entries in the PDBbind-CN Database
HEADER 4TYO_COMPLEX COMPND 4TYO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 GLU PRO ALA ARG VAL ARG CYS SER HIS LEU LEU VAL LYS SEQRES 2 A 113 HIS SER GLN SER ARG ARG PRO SER SER TRP ARG GLN GLU SEQRES 3 A 113 GLN ILE THR ARG THR GLN GLU GLU ALA LEU GLU LEU ILE SEQRES 4 A 113 ASN GLY TYR ILE GLN LYS ILE LYS SER GLY GLU GLU ASP SEQRES 5 A 113 PHE GLU SER LEU ALA SER GLN PHE SER ASP CYS SER SER SEQRES 6 A 113 ALA LYS ALA ARG GLY ASP LEU GLY ALA PHE SER ARG GLY SEQRES 7 A 113 GLN MET GLN LYS PRO PHE GLU ASP ALA SER PHE ALA LEU SEQRES 8 A 113 ARG THR GLY GLU MET SER GLY PRO VAL PHE THR ASP SER SEQRES 9 A 113 GLY ILE HIS ILE ILE LEU ARG THR GLU HET UNN A 207 43 ATOM 1 N GLU A 51 5.676 26.382 6.302 1.00 39.75 N ATOM 2 CA GLU A 51 5.997 24.982 6.025 1.00 38.81 C ATOM 3 C GLU A 51 4.713 24.162 5.934 1.00 37.13 C ATOM 4 O GLU A 51 3.848 24.268 6.818 1.00 36.32 O ATOM 5 CB GLU A 51 6.929 24.407 7.112 1.00 40.68 C ATOM 6 CG GLU A 51 7.399 22.986 6.860 1.00 46.62 C ATOM 7 CD GLU A 51 8.358 22.459 7.909 1.00 47.43 C ATOM 8 OE1 GLU A 51 9.551 22.828 7.868 1.00 36.89 O ATOM 9 OE2 GLU A 51 7.920 21.660 8.762 1.00 38.55 O ATOM 10 HN3 GLU A 51 5.163 26.447 7.204 1.00 0.00 H ATOM 11 HN2 GLU A 51 5.082 26.758 5.536 1.00 0.00 H ATOM 12 HN1 GLU A 51 6.556 26.933 6.362 1.00 0.00 H ATOM 13 N PRO A 52 4.543 23.331 4.879 1.00 29.03 N ATOM 14 CA PRO A 52 3.323 22.519 4.815 1.00 28.24 C ATOM 15 C PRO A 52 3.390 21.358 5.814 1.00 29.53 C ATOM 16 O PRO A 52 4.473 21.012 6.303 1.00 27.90 O ATOM 17 CB PRO A 52 3.314 22.017 3.369 1.00 29.47 C ATOM 18 CG PRO A 52 4.758 21.924 2.998 1.00 33.81 C ATOM 19 CD PRO A 52 5.454 23.044 3.746 1.00 30.22 C ATOM 20 N ALA A 53 2.250 20.727 6.070 1.00 28.37 N ATOM 21 CA ALA A 53 2.192 19.561 6.962 1.00 27.58 C ATOM 22 C ALA A 53 3.007 18.396 6.357 1.00 28.13 C ATOM 23 O ALA A 53 3.679 17.632 7.070 1.00 26.80 O ATOM 24 CB ALA A 53 0.747 19.145 7.162 1.00 28.70 C ATOM 25 H ALA A 53 1.373 21.068 5.626 1.00 0.00 H ATOM 26 N ARG A 54 2.962 18.289 5.025 1.00 23.54 N ATOM 27 CA ARG A 54 3.629 17.223 4.305 1.00 22.43 C ATOM 28 C ARG A 54 4.176 17.750 3.009 1.00 23.92 C ATOM 29 O ARG A 54 3.633 18.714 2.448 1.00 23.29 O ATOM 30 CB ARG A 54 2.630 16.090 3.978 1.00 21.83 C ATOM 31 CG ARG A 54 2.075 15.393 5.232 1.00 26.80 C ATOM 32 CD ARG A 54 1.458 14.025 5.016 1.00 23.19 C ATOM 33 NE ARG A 54 0.421 14.046 3.980 1.00 23.74 N ATOM 34 CZ ARG A 54 -0.069 12.952 3.403 1.00 28.88 C ATOM 35 NH1 ARG A 54 0.381 11.748 3.749 1.00 22.67 N ATOM 36 NH2 ARG A 54 -0.997 13.052 2.467 1.00 21.69 N ATOM 37 HE ARG A 54 0.047 14.969 3.679 1.00 0.00 H ATOM 38 HH12 ARG A 54 -0.007 10.897 3.294 1.00 0.00 H ATOM 39 HH11 ARG A 54 1.120 11.658 4.475 1.00 0.00 H ATOM 40 HH22 ARG A 54 -1.378 12.194 2.018 1.00 0.00 H ATOM 41 HH21 ARG A 54 -1.347 13.988 2.179 1.00 0.00 H ATOM 42 H ARG A 54 2.427 18.999 4.485 1.00 0.00 H ATOM 43 N VAL A 55 5.211 17.065 2.501 1.00 18.79 N ATOM 44 CA VAL A 55 5.761 17.378 1.191 1.00 19.43 C ATOM 45 C VAL A 55 5.710 16.091 0.390 1.00 22.78 C ATOM 46 O VAL A 55 5.664 15.001 0.966 1.00 22.10 O ATOM 47 CB VAL A 55 7.207 17.957 1.218 1.00 21.26 C ATOM 48 CG1 VAL A 55 7.251 19.347 1.865 1.00 20.60 C ATOM 49 CG2 VAL A 55 8.195 16.983 1.869 1.00 20.92 C ATOM 50 H VAL A 55 5.630 16.292 3.056 1.00 0.00 H ATOM 51 N ARG A 56 5.700 16.220 -0.915 1.00 20.03 N ATOM 52 CA ARG A 56 5.781 15.060 -1.790 1.00 20.21 C ATOM 53 C ARG A 56 7.128 15.200 -2.484 1.00 22.42 C ATOM 54 O ARG A 56 7.445 16.279 -2.976 1.00 21.45 O ATOM 55 CB ARG A 56 4.633 14.992 -2.808 1.00 20.68 C ATOM 56 CG ARG A 56 4.700 13.743 -3.682 1.00 18.23 C ATOM 57 CD ARG A 56 3.679 13.790 -4.787 1.00 21.25 C ATOM 58 NE ARG A 56 3.623 12.534 -5.534 1.00 25.70 N ATOM 59 CZ ARG A 56 2.675 12.242 -6.418 1.00 29.11 C ATOM 60 NH1 ARG A 56 1.703 13.114 -6.675 1.00 27.77 N ATOM 61 NH2 ARG A 56 2.686 11.075 -7.049 1.00 23.61 N ATOM 62 HE ARG A 56 4.368 11.829 -5.363 1.00 0.00 H ATOM 63 HH12 ARG A 56 0.964 12.879 -7.368 1.00 0.00 H ATOM 64 HH11 ARG A 56 1.683 14.030 -6.183 1.00 0.00 H ATOM 65 HH22 ARG A 56 1.942 10.851 -7.740 1.00 0.00 H ATOM 66 HH21 ARG A 56 3.439 10.385 -6.852 1.00 0.00 H ATOM 67 H ARG A 56 5.633 17.170 -1.333 1.00 0.00 H ATOM 68 N CYS A 57 7.950 14.137 -2.456 1.00 18.11 N ATOM 69 CA CYS A 57 9.240 14.154 -3.128 1.00 17.55 C ATOM 70 C CYS A 57 9.456 12.873 -3.937 1.00 20.73 C ATOM 71 O CYS A 57 8.959 11.811 -3.557 1.00 22.25 O ATOM 72 CB CYS A 57 10.383 14.290 -2.129 1.00 18.52 C ATOM 73 SG CYS A 57 10.401 15.831 -1.202 1.00 23.35 S ATOM 74 H CYS A 57 7.657 13.282 -1.942 1.00 0.00 H ATOM 75 N SER A 58 10.367 12.973 -4.915 1.00 18.51 N ATOM 76 CA SER A 58 10.972 11.873 -5.645 1.00 19.92 C ATOM 77 C SER A 58 12.457 11.895 -5.242 1.00 21.93 C ATOM 78 O SER A 58 12.964 12.916 -4.743 1.00 19.74 O ATOM 79 CB SER A 58 10.827 12.047 -7.150 1.00 21.52 C ATOM 80 OG SER A 58 9.447 12.004 -7.483 1.00 22.83 O ATOM 81 HG SER A 58 9.341 12.116 -8.461 1.00 0.00 H ATOM 82 H SER A 58 10.670 13.933 -5.177 1.00 0.00 H ATOM 83 N HIS A 59 13.107 10.740 -5.330 1.00 18.36 N ATOM 84 CA HIS A 59 14.526 10.658 -5.005 1.00 18.50 C ATOM 85 C HIS A 59 15.237 9.631 -5.865 1.00 21.73 C ATOM 86 O HIS A 59 14.604 8.791 -6.506 1.00 20.07 O ATOM 87 CB HIS A 59 14.784 10.447 -3.491 1.00 18.62 C ATOM 88 CG HIS A 59 14.687 9.012 -3.006 1.00 20.77 C ATOM 89 ND1 HIS A 59 15.623 8.484 -2.119 1.00 21.79 N ATOM 90 CD2 HIS A 59 13.763 8.051 -3.297 1.00 21.31 C ATOM 91 CE1 HIS A 59 15.253 7.226 -1.910 1.00 21.61 C ATOM 92 NE2 HIS A 59 14.144 6.915 -2.611 1.00 21.82 N ATOM 93 H HIS A 59 12.598 9.885 -5.634 1.00 0.00 H ATOM 94 N LEU A 60 16.555 9.727 -5.880 1.00 19.12 N ATOM 95 CA LEU A 60 17.396 8.758 -6.549 1.00 18.96 C ATOM 96 C LEU A 60 18.413 8.427 -5.464 1.00 20.51 C ATOM 97 O LEU A 60 19.121 9.309 -4.967 1.00 19.57 O ATOM 98 CB LEU A 60 18.048 9.341 -7.832 1.00 19.29 C ATOM 99 CG LEU A 60 18.877 8.351 -8.701 1.00 23.12 C ATOM 100 CD1 LEU A 60 19.252 8.976 -10.026 1.00 23.70 C ATOM 101 CD2 LEU A 60 20.195 7.872 -7.987 1.00 22.80 C ATOM 102 H LEU A 60 17.004 10.529 -5.393 1.00 0.00 H ATOM 103 N LEU A 61 18.435 7.156 -5.079 1.00 18.94 N ATOM 104 CA LEU A 61 19.331 6.663 -4.046 1.00 19.53 C ATOM 105 C LEU A 61 20.479 5.877 -4.669 1.00 20.84 C ATOM 106 O LEU A 61 20.238 4.983 -5.471 1.00 18.74 O ATOM 107 CB LEU A 61 18.544 5.768 -3.049 1.00 19.56 C ATOM 108 CG LEU A 61 19.393 4.958 -2.048 1.00 21.23 C ATOM 109 CD1 LEU A 61 20.151 5.908 -1.049 1.00 21.68 C ATOM 110 CD2 LEU A 61 18.511 3.957 -1.290 1.00 24.22 C ATOM 111 H LEU A 61 17.784 6.486 -5.536 1.00 0.00 H ATOM 112 N VAL A 62 21.729 6.156 -4.230 1.00 19.61 N ATOM 113 CA VAL A 62 22.864 5.336 -4.642 1.00 18.96 C ATOM 114 C VAL A 62 23.398 4.710 -3.351 1.00 21.21 C ATOM 115 O VAL A 62 23.878 5.424 -2.468 1.00 20.11 O ATOM 116 CB VAL A 62 23.984 6.083 -5.439 1.00 22.88 C ATOM 117 CG1 VAL A 62 25.135 5.114 -5.775 1.00 22.99 C ATOM 118 CG2 VAL A 62 23.436 6.704 -6.714 1.00 21.53 C ATOM 119 H VAL A 62 21.882 6.963 -3.592 1.00 0.00 H ATOM 120 N LYS A 63 23.254 3.379 -3.214 1.00 19.10 N ATOM 121 CA LYS A 63 23.727 2.665 -2.020 1.00 17.85 C ATOM 122 C LYS A 63 25.222 2.412 -2.176 1.00 22.72 C ATOM 123 O LYS A 63 25.793 2.558 -3.275 1.00 20.90 O ATOM 124 CB LYS A 63 22.963 1.317 -1.830 1.00 19.50 C ATOM 125 CG LYS A 63 21.505 1.475 -1.372 1.00 23.33 C ATOM 126 CD LYS A 63 20.865 0.128 -1.048 1.00 22.43 C ATOM 127 CE LYS A 63 19.471 0.341 -0.486 1.00 26.75 C ATOM 128 NZ LYS A 63 18.884 -0.948 -0.049 1.00 26.00 N ATOM 129 HZ1 LYS A 63 18.826 -1.594 -0.862 1.00 0.00 H ATOM 130 HZ2 LYS A 63 19.485 -1.369 0.688 1.00 0.00 H ATOM 131 HZ3 LYS A 63 17.931 -0.782 0.332 1.00 0.00 H ATOM 132 H LYS A 63 22.794 2.840 -3.976 1.00 0.00 H ATOM 133 N HIS A 64 25.858 1.997 -1.073 1.00 19.71 N ATOM 134 CA HIS A 64 27.253 1.621 -1.124 1.00 18.91 C ATOM 135 C HIS A 64 27.410 0.415 -0.198 1.00 21.97 C ATOM 136 O HIS A 64 26.475 0.072 0.547 1.00 19.31 O ATOM 137 CB HIS A 64 28.180 2.808 -0.749 1.00 20.17 C ATOM 138 CG HIS A 64 27.853 3.414 0.591 1.00 24.18 C ATOM 139 ND1 HIS A 64 27.229 4.645 0.704 1.00 26.76 N ATOM 140 CD2 HIS A 64 28.049 2.917 1.829 1.00 26.58 C ATOM 141 CE1 HIS A 64 27.085 4.866 2.002 1.00 25.67 C ATOM 142 NE2 HIS A 64 27.560 3.853 2.721 1.00 27.36 N ATOM 143 H HIS A 64 25.343 1.945 -0.171 1.00 0.00 H ATOM 144 N SER A 65 28.595 -0.204 -0.206 1.00 18.33 N ATOM 145 CA SER A 65 28.876 -1.421 0.563 1.00 18.06 C ATOM 146 C SER A 65 28.707 -1.223 2.112 1.00 24.16 C ATOM 147 O SER A 65 28.688 -2.212 2.851 1.00 21.91 O ATOM 148 CB SER A 65 30.285 -1.911 0.259 1.00 21.32 C ATOM 149 OG SER A 65 31.217 -0.922 0.673 1.00 22.28 O ATOM 150 HG SER A 65 32.136 -1.234 0.478 1.00 0.00 H ATOM 151 H SER A 65 29.357 0.198 -0.788 1.00 0.00 H ATOM 152 N GLN A 66 28.643 0.044 2.594 1.00 20.81 N ATOM 153 CA GLN A 66 28.485 0.314 4.030 1.00 22.15 C ATOM 154 C GLN A 66 27.073 0.822 4.373 1.00 25.40 C ATOM 155 O GLN A 66 26.824 1.227 5.520 1.00 23.30 O ATOM 156 CB GLN A 66 29.589 1.264 4.553 1.00 22.72 C ATOM 157 CG GLN A 66 30.981 0.619 4.472 1.00 24.56 C ATOM 158 CD GLN A 66 32.111 1.574 4.794 1.00 31.33 C ATOM 159 OE1 GLN A 66 32.633 2.280 3.925 1.00 30.47 O ATOM 160 NE2 GLN A 66 32.500 1.637 6.056 1.00 22.25 N ATOM 161 HE22 GLN A 66 32.046 1.033 6.771 1.00 0.00 H ATOM 162 HE21 GLN A 66 33.260 2.290 6.334 1.00 0.00 H ATOM 163 H GLN A 66 28.707 0.843 1.931 1.00 0.00 H ATOM 164 N SER A 67 26.144 0.735 3.389 1.00 22.79 N ATOM 165 CA SER A 67 24.731 1.117 3.519 1.00 22.23 C ATOM 166 C SER A 67 24.058 0.171 4.512 1.00 24.46 C ATOM 167 O SER A 67 24.476 -0.976 4.664 1.00 22.32 O ATOM 168 CB SER A 67 23.997 1.003 2.181 1.00 23.42 C ATOM 169 OG SER A 67 24.292 2.070 1.299 1.00 25.54 O ATOM 170 HG SER A 67 24.025 2.926 1.718 1.00 0.00 H ATOM 171 H SER A 67 26.457 0.368 2.468 1.00 0.00 H ATOM 172 N ARG A 68 22.988 0.628 5.165 1.00 25.63 N ATOM 173 CA ARG A 68 22.272 -0.211 6.125 1.00 25.96 C ATOM 174 C ARG A 68 21.771 -1.547 5.537 1.00 31.31 C ATOM 175 O ARG A 68 21.926 -2.585 6.192 1.00 32.30 O ATOM 176 CB ARG A 68 21.123 0.564 6.757 1.00 28.05 C ATOM 177 CG ARG A 68 20.570 -0.136 7.985 1.00 36.76 C ATOM 178 CD ARG A 68 19.637 0.796 8.734 1.00 52.33 C ATOM 179 NE ARG A 68 18.571 0.073 9.427 1.00 65.92 N ATOM 180 CZ ARG A 68 17.507 -0.454 8.828 1.00 83.74 C ATOM 181 NH1 ARG A 68 17.367 -0.368 7.508 1.00 69.52 N ATOM 182 NH2 ARG A 68 16.585 -1.086 9.540 1.00 77.26 N ATOM 183 HE ARG A 68 18.650 -0.036 10.458 1.00 0.00 H ATOM 184 HH12 ARG A 68 16.533 -0.782 7.045 1.00 0.00 H ATOM 185 HH11 ARG A 68 18.092 0.113 6.938 1.00 0.00 H ATOM 186 HH22 ARG A 68 15.754 -1.497 9.068 1.00 0.00 H ATOM 187 HH21 ARG A 68 16.692 -1.171 10.571 1.00 0.00 H ATOM 188 H ARG A 68 22.657 1.598 4.988 1.00 0.00 H ATOM 189 N ARG A 69 21.183 -1.506 4.324 1.00 25.04 N ATOM 190 CA ARG A 69 20.645 -2.659 3.576 1.00 24.30 C ATOM 191 C ARG A 69 21.444 -2.691 2.241 1.00 27.58 C ATOM 192 O ARG A 69 20.983 -2.135 1.243 1.00 25.86 O ATOM 193 CB ARG A 69 19.146 -2.474 3.253 1.00 27.44 C ATOM 194 CG ARG A 69 18.185 -2.292 4.417 1.00 47.14 C ATOM 195 CD ARG A 69 16.764 -2.101 3.893 1.00 60.38 C ATOM 196 H ARG A 69 21.101 -0.573 3.873 1.00 0.00 H ATOM 197 N PRO A 70 22.669 -3.276 2.228 1.00 23.03 N ATOM 198 CA PRO A 70 23.494 -3.220 1.007 1.00 21.52 C ATOM 199 C PRO A 70 23.105 -4.210 -0.095 1.00 23.56 C ATOM 200 O PRO A 70 23.913 -5.019 -0.539 1.00 23.06 O ATOM 201 CB PRO A 70 24.916 -3.426 1.536 1.00 23.78 C ATOM 202 CG PRO A 70 24.708 -4.343 2.735 1.00 29.90 C ATOM 203 CD PRO A 70 23.380 -3.943 3.337 1.00 25.22 C ATOM 204 N SER A 71 21.846 -4.117 -0.557 1.00 22.25 N ATOM 205 CA SER A 71 21.305 -4.852 -1.685 1.00 22.70 C ATOM 206 C SER A 71 20.163 -4.023 -2.203 1.00 25.06 C ATOM 207 O SER A 71 19.631 -3.173 -1.473 1.00 24.65 O ATOM 208 CB SER A 71 20.824 -6.251 -1.301 1.00 28.08 C ATOM 209 OG SER A 71 19.859 -6.215 -0.271 1.00 41.03 O ATOM 210 HG SER A 71 19.076 -5.690 -0.573 1.00 0.00 H ATOM 211 H SER A 71 21.205 -3.463 -0.064 1.00 0.00 H ATOM 212 N SER A 72 19.814 -4.219 -3.460 1.00 22.96 N ATOM 213 CA SER A 72 18.692 -3.486 -4.019 1.00 24.52 C ATOM 214 C SER A 72 18.008 -4.342 -5.049 1.00 28.86 C ATOM 215 O SER A 72 18.532 -5.389 -5.463 1.00 29.13 O ATOM 216 CB SER A 72 19.149 -2.158 -4.621 1.00 24.51 C ATOM 217 OG SER A 72 19.767 -2.350 -5.880 1.00 25.16 O ATOM 218 HG SER A 72 20.051 -1.474 -6.244 1.00 0.00 H ATOM 219 H SER A 72 20.340 -4.896 -4.048 1.00 0.00 H ATOM 220 N TRP A 73 16.878 -3.838 -5.545 1.00 27.27 N ATOM 221 CA TRP A 73 16.129 -4.487 -6.597 1.00 27.22 C ATOM 222 C TRP A 73 17.025 -4.690 -7.813 1.00 31.86 C ATOM 223 O TRP A 73 16.808 -5.660 -8.521 1.00 34.22 O ATOM 224 CB TRP A 73 14.892 -3.641 -6.986 1.00 26.37 C ATOM 225 CG TRP A 73 15.218 -2.313 -7.607 1.00 26.42 C ATOM 226 CD1 TRP A 73 15.358 -1.127 -6.950 1.00 28.79 C ATOM 227 CD2 TRP A 73 15.444 -2.029 -9.001 1.00 26.31 C ATOM 228 NE1 TRP A 73 15.641 -0.122 -7.844 1.00 26.64 N ATOM 229 CE2 TRP A 73 15.719 -0.646 -9.106 1.00 28.73 C ATOM 230 CE3 TRP A 73 15.438 -2.805 -10.178 1.00 27.48 C ATOM 231 CZ2 TRP A 73 16.006 -0.025 -10.330 1.00 28.37 C ATOM 232 CZ3 TRP A 73 15.761 -2.198 -11.388 1.00 28.58 C ATOM 233 CH2 TRP A 73 16.000 -0.816 -11.465 1.00 28.90 C ATOM 234 HE1 TRP A 73 15.775 0.880 -7.600 1.00 0.00 H ATOM 235 H TRP A 73 16.521 -2.941 -5.159 1.00 0.00 H ATOM 236 N ARG A 74 18.049 -3.793 -8.042 1.00 26.54 N ATOM 237 CA ARG A 74 18.881 -3.847 -9.235 1.00 26.06 C ATOM 238 C ARG A 74 20.215 -4.571 -9.034 1.00 28.44 C ATOM 239 O ARG A 74 20.900 -4.908 -10.013 1.00 27.33 O ATOM 240 CB ARG A 74 19.072 -2.438 -9.868 1.00 28.84 C ATOM 241 CG ARG A 74 19.873 -1.391 -9.058 1.00 23.51 C ATOM 242 CD ARG A 74 19.889 -0.006 -9.725 1.00 21.98 C ATOM 243 NE ARG A 74 20.507 -0.080 -11.049 1.00 27.38 N ATOM 244 CZ ARG A 74 21.730 0.334 -11.370 1.00 52.56 C ATOM 245 NH1 ARG A 74 22.461 1.022 -10.495 1.00 39.97 N ATOM 246 NH2 ARG A 74 22.195 0.151 -12.599 1.00 43.60 N ATOM 247 HE ARG A 74 19.936 -0.496 -11.812 1.00 0.00 H ATOM 248 HH12 ARG A 74 23.416 1.342 -10.753 1.00 0.00 H ATOM 249 HH11 ARG A 74 22.077 1.239 -9.553 1.00 0.00 H ATOM 250 HH22 ARG A 74 23.151 0.476 -12.847 1.00 0.00 H ATOM 251 HH21 ARG A 74 21.603 -0.317 -13.315 1.00 0.00 H ATOM 252 H ARG A 74 18.233 -3.052 -7.336 1.00 0.00 H ATOM 253 N GLN A 75 20.577 -4.857 -7.784 1.00 24.46 N ATOM 254 CA GLN A 75 21.858 -5.498 -7.536 1.00 24.17 C ATOM 255 C GLN A 75 21.784 -6.332 -6.258 1.00 27.04 C ATOM 256 O GLN A 75 21.523 -5.772 -5.196 1.00 26.65 O ATOM 257 CB GLN A 75 22.935 -4.398 -7.411 1.00 25.60 C ATOM 258 CG GLN A 75 24.364 -4.904 -7.452 1.00 28.83 C ATOM 259 CD GLN A 75 25.378 -3.775 -7.519 1.00 29.67 C ATOM 260 OE1 GLN A 75 25.116 -2.622 -7.109 1.00 24.46 O ATOM 261 NE2 GLN A 75 26.603 -4.109 -7.923 1.00 28.28 N ATOM 262 HE22 GLN A 75 26.794 -5.074 -8.259 1.00 0.00 H ATOM 263 HE21 GLN A 75 27.368 -3.404 -7.902 1.00 0.00 H ATOM 264 H GLN A 75 19.947 -4.623 -6.990 1.00 0.00 H ATOM 265 N GLU A 76 22.037 -7.647 -6.364 1.00 25.93 N ATOM 266 CA GLU A 76 21.979 -8.577 -5.228 1.00 26.34 C ATOM 267 C GLU A 76 22.870 -8.159 -4.074 1.00 28.20 C ATOM 268 O GLU A 76 22.461 -8.283 -2.929 1.00 28.54 O ATOM 269 CB GLU A 76 22.234 -10.046 -5.632 1.00 28.80 C ATOM 270 CG GLU A 76 23.611 -10.351 -6.214 1.00 41.47 C ATOM 271 CD GLU A 76 23.944 -11.816 -6.447 1.00 61.63 C ATOM 272 OE1 GLU A 76 23.005 -12.644 -6.502 1.00 42.97 O ATOM 273 OE2 GLU A 76 25.149 -12.129 -6.602 1.00 50.33 O ATOM 274 H GLU A 76 22.287 -8.027 -7.299 1.00 0.00 H ATOM 275 N GLN A 77 24.050 -7.644 -4.372 1.00 23.37 N ATOM 276 CA GLN A 77 24.968 -7.168 -3.340 1.00 23.29 C ATOM 277 C GLN A 77 25.579 -5.861 -3.799 1.00 23.80 C ATOM 278 O GLN A 77 26.217 -5.802 -4.871 1.00 22.87 O ATOM 279 CB GLN A 77 26.052 -8.216 -3.027 1.00 24.06 C ATOM 280 CG GLN A 77 27.143 -7.639 -2.104 1.00 24.77 C ATOM 281 CD GLN A 77 27.880 -8.693 -1.335 1.00 40.91 C ATOM 282 OE1 GLN A 77 28.793 -9.333 -1.853 1.00 44.08 O ATOM 283 NE2 GLN A 77 27.519 -8.871 -0.079 1.00 30.54 N ATOM 284 HE22 GLN A 77 26.741 -8.310 0.323 1.00 0.00 H ATOM 285 HE21 GLN A 77 28.012 -9.573 0.509 1.00 0.00 H ATOM 286 H GLN A 77 24.333 -7.576 -5.370 1.00 0.00 H ATOM 287 N ILE A 78 25.402 -4.810 -2.994 1.00 20.43 N ATOM 288 CA ILE A 78 25.978 -3.521 -3.341 1.00 18.89 C ATOM 289 C ILE A 78 27.495 -3.621 -3.042 1.00 23.87 C ATOM 290 O ILE A 78 27.885 -3.787 -1.889 1.00 24.42 O ATOM 291 CB ILE A 78 25.323 -2.333 -2.587 1.00 21.80 C ATOM 292 CG1 ILE A 78 23.764 -2.254 -2.812 1.00 20.38 C ATOM 293 CG2 ILE A 78 25.998 -1.049 -3.031 1.00 24.22 C ATOM 294 CD1 ILE A 78 23.357 -1.815 -4.296 1.00 21.16 C ATOM 295 H ILE A 78 24.851 -4.914 -2.118 1.00 0.00 H ATOM 296 N THR A 79 28.317 -3.487 -4.077 1.00 20.58 N ATOM 297 CA THR A 79 29.773 -3.620 -3.930 1.00 20.24 C ATOM 298 C THR A 79 30.531 -2.307 -3.988 1.00 22.75 C ATOM 299 O THR A 79 31.699 -2.271 -3.574 1.00 21.97 O ATOM 300 CB THR A 79 30.292 -4.601 -4.988 1.00 24.43 C ATOM 301 OG1 THR A 79 29.984 -4.083 -6.298 1.00 22.31 O ATOM 302 CG2 THR A 79 29.714 -6.024 -4.806 1.00 22.96 C ATOM 303 HG1 THR A 79 30.421 -3.203 -6.415 1.00 0.00 H ATOM 304 H THR A 79 27.920 -3.283 -5.016 1.00 0.00 H ATOM 305 N ARG A 80 29.911 -1.238 -4.524 1.00 20.93 N ATOM 306 CA ARG A 80 30.615 0.034 -4.704 1.00 20.76 C ATOM 307 C ARG A 80 30.970 0.702 -3.391 1.00 23.74 C ATOM 308 O ARG A 80 30.273 0.519 -2.375 1.00 22.44 O ATOM 309 CB ARG A 80 29.837 1.005 -5.611 1.00 20.66 C ATOM 310 CG ARG A 80 28.572 1.575 -4.944 1.00 20.15 C ATOM 311 CD ARG A 80 27.880 2.645 -5.821 1.00 20.14 C ATOM 312 NE ARG A 80 27.254 2.032 -6.989 1.00 20.24 N ATOM 313 CZ ARG A 80 26.027 1.505 -7.018 1.00 27.32 C ATOM 314 NH1 ARG A 80 25.277 1.485 -5.924 1.00 17.95 N ATOM 315 NH2 ARG A 80 25.550 0.979 -8.143 1.00 18.13 N ATOM 316 HE ARG A 80 27.808 2.003 -7.869 1.00 0.00 H ATOM 317 HH12 ARG A 80 24.323 1.073 -5.955 1.00 0.00 H ATOM 318 HH11 ARG A 80 25.643 1.882 -5.035 1.00 0.00 H ATOM 319 HH22 ARG A 80 24.594 0.570 -8.161 1.00 0.00 H ATOM 320 HH21 ARG A 80 26.133 0.977 -9.004 1.00 0.00 H ATOM 321 H ARG A 80 28.916 -1.317 -4.815 1.00 0.00 H ATOM 322 N THR A 81 32.050 1.482 -3.413 1.00 21.17 N ATOM 323 CA THR A 81 32.499 2.201 -2.210 1.00 21.03 C ATOM 324 C THR A 81 31.650 3.450 -1.998 1.00 22.50 C ATOM 325 O THR A 81 31.014 3.922 -2.942 1.00 20.46 O ATOM 326 CB THR A 81 33.971 2.628 -2.368 1.00 24.87 C ATOM 327 OG1 THR A 81 34.062 3.680 -3.348 1.00 21.50 O ATOM 328 CG2 THR A 81 34.906 1.465 -2.707 1.00 21.83 C ATOM 329 HG1 THR A 81 35.008 3.954 -3.449 1.00 0.00 H ATOM 330 H THR A 81 32.586 1.585 -4.298 1.00 0.00 H ATOM 331 N GLN A 82 31.742 4.065 -0.799 1.00 21.75 N ATOM 332 CA GLN A 82 31.060 5.337 -0.499 1.00 22.11 C ATOM 333 C GLN A 82 31.541 6.399 -1.491 1.00 25.09 C ATOM 334 O GLN A 82 30.733 7.159 -2.020 1.00 22.32 O ATOM 335 CB GLN A 82 31.430 5.828 0.910 1.00 24.87 C ATOM 336 CG GLN A 82 30.985 4.957 2.042 1.00 36.14 C ATOM 337 CD GLN A 82 31.339 5.621 3.353 1.00 42.95 C ATOM 338 OE1 GLN A 82 32.508 5.811 3.710 1.00 44.22 O ATOM 339 NE2 GLN A 82 30.332 5.991 4.089 1.00 40.37 N ATOM 340 HE22 GLN A 82 29.359 5.819 3.764 1.00 0.00 H ATOM 341 HE21 GLN A 82 30.500 6.459 5.002 1.00 0.00 H ATOM 342 H GLN A 82 32.319 3.622 -0.055 1.00 0.00 H ATOM 343 N GLU A 83 32.876 6.443 -1.744 1.00 21.24 N ATOM 344 CA GLU A 83 33.472 7.398 -2.673 1.00 21.81 C ATOM 345 C GLU A 83 32.844 7.284 -4.077 1.00 22.77 C ATOM 346 O GLU A 83 32.422 8.299 -4.657 1.00 23.27 O ATOM 347 CB GLU A 83 35.005 7.224 -2.694 1.00 22.46 C ATOM 348 CG GLU A 83 35.697 8.073 -3.750 1.00 34.95 C ATOM 349 CD GLU A 83 37.202 7.896 -3.790 1.00 55.67 C ATOM 350 OE1 GLU A 83 37.667 6.834 -4.260 1.00 51.46 O ATOM 351 OE2 GLU A 83 37.916 8.832 -3.368 1.00 46.54 O ATOM 352 H GLU A 83 33.498 5.768 -1.255 1.00 0.00 H ATOM 353 N GLU A 84 32.736 6.048 -4.584 1.00 19.48 N ATOM 354 CA GLU A 84 32.125 5.751 -5.902 1.00 19.59 C ATOM 355 C GLU A 84 30.664 6.160 -5.896 1.00 21.02 C ATOM 356 O GLU A 84 30.194 6.692 -6.903 1.00 20.37 O ATOM 357 CB GLU A 84 32.255 4.258 -6.225 1.00 21.56 C ATOM 358 CG GLU A 84 33.683 3.887 -6.630 1.00 22.45 C ATOM 359 CD GLU A 84 34.019 2.417 -6.722 1.00 39.55 C ATOM 360 OE1 GLU A 84 33.245 1.581 -6.203 1.00 25.10 O ATOM 361 OE2 GLU A 84 35.097 2.101 -7.270 1.00 40.58 O ATOM 362 H GLU A 84 33.101 5.253 -4.022 1.00 0.00 H ATOM 363 N ALA A 85 29.943 5.936 -4.763 1.00 19.45 N ATOM 364 CA ALA A 85 28.513 6.331 -4.711 1.00 19.43 C ATOM 365 C ALA A 85 28.392 7.858 -4.820 1.00 20.73 C ATOM 366 O ALA A 85 27.578 8.353 -5.571 1.00 18.13 O ATOM 367 CB ALA A 85 27.886 5.848 -3.424 1.00 21.09 C ATOM 368 H ALA A 85 30.392 5.490 -3.938 1.00 0.00 H ATOM 369 N LEU A 86 29.264 8.602 -4.129 1.00 18.57 N ATOM 370 CA LEU A 86 29.227 10.053 -4.210 1.00 18.62 C ATOM 371 C LEU A 86 29.640 10.541 -5.584 1.00 20.74 C ATOM 372 O LEU A 86 29.003 11.463 -6.094 1.00 19.83 O ATOM 373 CB LEU A 86 30.049 10.703 -3.094 1.00 18.74 C ATOM 374 CG LEU A 86 29.979 12.227 -2.984 1.00 23.79 C ATOM 375 CD1 LEU A 86 28.536 12.757 -2.975 1.00 24.11 C ATOM 376 CD2 LEU A 86 30.720 12.696 -1.740 1.00 23.91 C ATOM 377 H LEU A 86 29.975 8.138 -3.528 1.00 0.00 H ATOM 378 N GLU A 87 30.607 9.860 -6.224 1.00 19.37 N ATOM 379 CA GLU A 87 30.999 10.190 -7.603 1.00 20.03 C ATOM 380 C GLU A 87 29.784 10.039 -8.538 1.00 21.71 C ATOM 381 O GLU A 87 29.520 10.924 -9.356 1.00 21.44 O ATOM 382 CB GLU A 87 32.116 9.265 -8.085 1.00 21.95 C ATOM 383 CG GLU A 87 33.479 9.665 -7.571 1.00 37.25 C ATOM 384 CD GLU A 87 34.580 8.658 -7.867 1.00 60.49 C ATOM 385 OE1 GLU A 87 34.330 7.676 -8.606 1.00 54.11 O ATOM 386 OE2 GLU A 87 35.697 8.851 -7.338 1.00 54.41 O ATOM 387 H GLU A 87 31.089 9.081 -5.732 1.00 0.00 H ATOM 388 N LEU A 88 29.060 8.923 -8.421 1.00 19.53 N ATOM 389 CA LEU A 88 27.850 8.666 -9.232 1.00 20.24 C ATOM 390 C LEU A 88 26.794 9.758 -9.015 1.00 20.67 C ATOM 391 O LEU A 88 26.288 10.296 -9.986 1.00 20.91 O ATOM 392 CB LEU A 88 27.269 7.284 -8.931 1.00 20.82 C ATOM 393 CG LEU A 88 27.991 6.117 -9.619 1.00 25.83 C ATOM 394 CD1 LEU A 88 27.738 4.812 -8.884 1.00 26.10 C ATOM 395 CD2 LEU A 88 27.594 5.992 -11.073 1.00 30.03 C ATOM 396 H LEU A 88 29.359 8.205 -7.731 1.00 0.00 H ATOM 397 N ILE A 89 26.506 10.115 -7.743 1.00 19.93 N ATOM 398 CA ILE A 89 25.529 11.151 -7.377 1.00 19.31 C ATOM 399 C ILE A 89 25.912 12.492 -8.000 1.00 22.64 C ATOM 400 O ILE A 89 25.078 13.142 -8.640 1.00 19.42 O ATOM 401 CB ILE A 89 25.388 11.185 -5.813 1.00 21.16 C ATOM 402 CG1 ILE A 89 24.523 9.987 -5.322 1.00 21.64 C ATOM 403 CG2 ILE A 89 24.868 12.537 -5.259 1.00 18.07 C ATOM 404 CD1 ILE A 89 22.920 10.092 -5.596 1.00 22.30 C ATOM 405 H ILE A 89 27.008 9.626 -6.975 1.00 0.00 H ATOM 406 N ASN A 90 27.200 12.875 -7.870 1.00 21.18 N ATOM 407 CA ASN A 90 27.673 14.136 -8.461 1.00 20.84 C ATOM 408 C ASN A 90 27.595 14.126 -10.002 1.00 23.48 C ATOM 409 O ASN A 90 27.245 15.148 -10.586 1.00 22.19 O ATOM 410 CB ASN A 90 29.053 14.527 -7.935 1.00 22.52 C ATOM 411 CG ASN A 90 28.936 15.107 -6.554 1.00 28.19 C ATOM 412 OD1 ASN A 90 28.023 15.899 -6.269 1.00 27.63 O ATOM 413 ND2 ASN A 90 29.800 14.671 -5.635 1.00 25.33 N ATOM 414 HD22 ASN A 90 30.555 14.008 -5.904 1.00 0.00 H ATOM 415 HD21 ASN A 90 29.719 14.995 -4.650 1.00 0.00 H ATOM 416 H ASN A 90 27.865 12.271 -7.346 1.00 0.00 H ATOM 417 N GLY A 91 27.853 12.972 -10.625 1.00 21.41 N ATOM 418 CA GLY A 91 27.734 12.797 -12.071 1.00 21.85 C ATOM 419 C GLY A 91 26.296 12.998 -12.522 1.00 25.01 C ATOM 420 O GLY A 91 26.052 13.693 -13.509 1.00 23.89 O ATOM 421 H GLY A 91 28.154 12.158 -10.052 1.00 0.00 H ATOM 422 N TYR A 92 25.324 12.466 -11.745 1.00 21.13 N ATOM 423 CA TYR A 92 23.882 12.627 -12.025 1.00 19.36 C ATOM 424 C TYR A 92 23.468 14.102 -11.887 1.00 23.29 C ATOM 425 O TYR A 92 22.770 14.625 -12.756 1.00 20.17 O ATOM 426 CB TYR A 92 23.041 11.746 -11.087 1.00 20.71 C ATOM 427 CG TYR A 92 23.242 10.247 -11.259 1.00 21.81 C ATOM 428 CD1 TYR A 92 23.487 9.692 -12.518 1.00 24.74 C ATOM 429 CD2 TYR A 92 23.120 9.378 -10.175 1.00 21.27 C ATOM 430 CE1 TYR A 92 23.625 8.307 -12.689 1.00 23.89 C ATOM 431 CE2 TYR A 92 23.257 7.993 -10.332 1.00 20.52 C ATOM 432 CZ TYR A 92 23.491 7.462 -11.596 1.00 27.20 C ATOM 433 OH TYR A 92 23.643 6.100 -11.766 1.00 24.50 O ATOM 434 HH TYR A 92 23.801 5.904 -12.723 1.00 0.00 H ATOM 435 H TYR A 92 25.606 11.916 -10.909 1.00 0.00 H ATOM 436 N ILE A 93 23.923 14.775 -10.809 1.00 21.20 N ATOM 437 CA ILE A 93 23.624 16.205 -10.607 1.00 20.10 C ATOM 438 C ILE A 93 24.101 16.995 -11.825 1.00 21.54 C ATOM 439 O ILE A 93 23.336 17.789 -12.372 1.00 21.48 O ATOM 440 CB ILE A 93 24.261 16.726 -9.291 1.00 21.97 C ATOM 441 CG1 ILE A 93 23.561 16.107 -8.057 1.00 20.38 C ATOM 442 CG2 ILE A 93 24.233 18.266 -9.223 1.00 22.77 C ATOM 443 CD1 ILE A 93 24.313 16.387 -6.650 1.00 25.45 C ATOM 444 H ILE A 93 24.499 14.273 -10.103 1.00 0.00 H ATOM 445 N GLN A 94 25.347 16.770 -12.264 1.00 21.98 N ATOM 446 CA GLN A 94 25.880 17.525 -13.413 1.00 23.09 C ATOM 447 C GLN A 94 25.066 17.306 -14.706 1.00 26.84 C ATOM 448 O GLN A 94 24.763 18.280 -15.418 1.00 25.51 O ATOM 449 CB GLN A 94 27.373 17.246 -13.612 1.00 24.85 C ATOM 450 CG GLN A 94 28.245 17.760 -12.454 1.00 34.18 C ATOM 451 CD GLN A 94 27.853 19.145 -11.954 1.00 53.31 C ATOM 452 OE1 GLN A 94 27.924 20.154 -12.673 1.00 50.98 O ATOM 453 NE2 GLN A 94 27.408 19.215 -10.711 1.00 40.61 N ATOM 454 HE22 GLN A 94 27.358 18.356 -10.128 1.00 0.00 H ATOM 455 HE21 GLN A 94 27.108 20.130 -10.317 1.00 0.00 H ATOM 456 H GLN A 94 25.941 16.059 -11.792 1.00 0.00 H ATOM 457 N LYS A 95 24.623 16.051 -14.949 1.00 23.05 N ATOM 458 CA LYS A 95 23.836 15.708 -16.145 1.00 22.09 C ATOM 459 C LYS A 95 22.442 16.295 -16.078 1.00 25.54 C ATOM 460 O LYS A 95 21.871 16.651 -17.114 1.00 23.43 O ATOM 461 CB LYS A 95 23.757 14.181 -16.308 1.00 23.17 C ATOM 462 CG LYS A 95 25.126 13.618 -16.669 1.00 29.85 C ATOM 463 CD LYS A 95 25.112 12.103 -16.775 1.00 36.00 C ATOM 464 CE LYS A 95 26.301 11.602 -17.565 1.00 49.21 C ATOM 465 NZ LYS A 95 27.595 12.099 -17.029 1.00 56.35 N ATOM 466 HZ1 LYS A 95 27.606 13.138 -17.060 1.00 0.00 H ATOM 467 HZ2 LYS A 95 27.707 11.780 -16.046 1.00 0.00 H ATOM 468 HZ3 LYS A 95 28.375 11.726 -17.607 1.00 0.00 H ATOM 469 H LYS A 95 24.847 15.300 -14.265 1.00 0.00 H ATOM 470 N ILE A 96 21.868 16.367 -14.859 1.00 20.96 N ATOM 471 CA ILE A 96 20.520 16.960 -14.671 1.00 20.64 C ATOM 472 C ILE A 96 20.641 18.478 -14.848 1.00 25.13 C ATOM 473 O ILE A 96 19.829 19.099 -15.529 1.00 24.15 O ATOM 474 CB ILE A 96 19.891 16.533 -13.311 1.00 21.51 C ATOM 475 CG1 ILE A 96 19.583 14.997 -13.293 1.00 21.26 C ATOM 476 CG2 ILE A 96 18.602 17.338 -12.995 1.00 21.35 C ATOM 477 CD1 ILE A 96 19.480 14.366 -11.842 1.00 25.70 C ATOM 478 H ILE A 96 22.381 15.999 -14.033 1.00 0.00 H ATOM 479 N LYS A 97 21.717 19.069 -14.303 1.00 23.65 N ATOM 480 CA LYS A 97 21.925 20.502 -14.474 1.00 23.02 C ATOM 481 C LYS A 97 22.175 20.906 -15.953 1.00 26.40 C ATOM 482 O LYS A 97 21.639 21.923 -16.390 1.00 24.77 O ATOM 483 CB LYS A 97 23.017 21.014 -13.543 1.00 25.67 C ATOM 484 CG LYS A 97 22.527 21.095 -12.084 1.00 31.61 C ATOM 485 CD LYS A 97 23.629 21.566 -11.104 1.00 36.36 C ATOM 486 CE LYS A 97 23.139 21.739 -9.676 1.00 35.31 C ATOM 487 NZ LYS A 97 21.948 22.674 -9.572 1.00 42.13 N ATOM 488 HZ1 LYS A 97 22.213 23.612 -9.933 1.00 0.00 H ATOM 489 HZ2 LYS A 97 21.160 22.294 -10.135 1.00 0.00 H ATOM 490 HZ3 LYS A 97 21.657 22.754 -8.577 1.00 0.00 H ATOM 491 H LYS A 97 22.401 18.505 -13.760 1.00 0.00 H ATOM 492 N SER A 98 22.891 20.077 -16.733 1.00 23.54 N ATOM 493 CA SER A 98 23.161 20.418 -18.142 1.00 23.52 C ATOM 494 C SER A 98 21.950 20.116 -19.038 1.00 27.20 C ATOM 495 O SER A 98 21.894 20.604 -20.172 1.00 26.51 O ATOM 496 CB SER A 98 24.377 19.667 -18.669 1.00 25.31 C ATOM 497 OG SER A 98 23.991 18.352 -19.024 1.00 27.14 O ATOM 498 HG SER A 98 24.778 17.860 -19.367 1.00 0.00 H ATOM 499 H SER A 98 23.258 19.187 -16.339 1.00 0.00 H ATOM 500 N GLY A 99 21.058 19.249 -18.557 1.00 22.86 N ATOM 501 CA GLY A 99 19.858 18.843 -19.280 1.00 22.32 C ATOM 502 C GLY A 99 20.065 17.540 -20.033 1.00 27.02 C ATOM 503 O GLY A 99 19.145 17.061 -20.701 1.00 26.43 O ATOM 504 H GLY A 99 21.227 18.840 -17.616 1.00 0.00 H ATOM 505 N GLU A 100 21.286 16.964 -19.943 1.00 25.34 N ATOM 506 CA GLU A 100 21.636 15.705 -20.620 1.00 25.28 C ATOM 507 C GLU A 100 20.778 14.507 -20.107 1.00 28.01 C ATOM 508 O GLU A 100 20.597 13.548 -20.844 1.00 26.65 O ATOM 509 CB GLU A 100 23.120 15.387 -20.407 1.00 26.53 C ATOM 510 CG GLU A 100 23.639 14.228 -21.253 1.00 36.69 C ATOM 511 CD GLU A 100 25.048 13.774 -20.932 1.00 54.91 C ATOM 512 OE1 GLU A 100 25.868 14.619 -20.512 1.00 35.98 O ATOM 513 OE2 GLU A 100 25.344 12.575 -21.135 1.00 51.67 O ATOM 514 H GLU A 100 22.013 17.434 -19.367 1.00 0.00 H ATOM 515 N GLU A 101 20.324 14.548 -18.841 1.00 24.70 N ATOM 516 CA GLU A 101 19.512 13.500 -18.246 1.00 24.92 C ATOM 517 C GLU A 101 18.324 14.083 -17.489 1.00 28.47 C ATOM 518 O GLU A 101 18.387 15.195 -16.934 1.00 27.50 O ATOM 519 CB GLU A 101 20.360 12.602 -17.305 1.00 26.30 C ATOM 520 CG GLU A 101 21.490 11.816 -17.968 1.00 31.19 C ATOM 521 CD GLU A 101 21.097 10.681 -18.904 1.00 46.17 C ATOM 522 OE1 GLU A 101 19.928 10.234 -18.868 1.00 39.26 O ATOM 523 OE2 GLU A 101 21.976 10.222 -19.666 1.00 43.98 O ATOM 524 H GLU A 101 20.567 15.374 -18.257 1.00 0.00 H ATOM 525 N ASP A 102 17.251 13.313 -17.453 1.00 26.41 N ATOM 526 CA ASP A 102 16.025 13.640 -16.745 1.00 26.24 C ATOM 527 C ASP A 102 16.075 12.981 -15.351 1.00 27.11 C ATOM 528 O ASP A 102 16.334 11.775 -15.265 1.00 26.92 O ATOM 529 CB ASP A 102 14.817 13.135 -17.544 1.00 28.47 C ATOM 530 CG ASP A 102 13.500 13.368 -16.836 1.00 34.84 C ATOM 531 OD1 ASP A 102 13.132 12.550 -15.984 1.00 35.53 O ATOM 532 OD2 ASP A 102 12.854 14.369 -17.122 1.00 41.44 O ATOM 533 H ASP A 102 17.286 12.410 -17.967 1.00 0.00 H ATOM 534 N PHE A 103 15.811 13.760 -14.262 1.00 23.11 N ATOM 535 CA PHE A 103 15.844 13.233 -12.877 1.00 22.39 C ATOM 536 C PHE A 103 15.053 11.908 -12.720 1.00 24.41 C ATOM 537 O PHE A 103 15.602 10.905 -12.223 1.00 20.74 O ATOM 538 CB PHE A 103 15.275 14.270 -11.885 1.00 24.50 C ATOM 539 CG PHE A 103 15.309 13.835 -10.443 1.00 26.06 C ATOM 540 CD1 PHE A 103 14.348 12.966 -9.933 1.00 28.59 C ATOM 541 CD2 PHE A 103 16.286 14.314 -9.578 1.00 29.79 C ATOM 542 CE1 PHE A 103 14.429 12.503 -8.614 1.00 29.54 C ATOM 543 CE2 PHE A 103 16.322 13.894 -8.238 1.00 32.53 C ATOM 544 CZ PHE A 103 15.412 12.978 -7.778 1.00 29.71 C ATOM 545 H PHE A 103 15.578 14.763 -14.410 1.00 0.00 H ATOM 546 N GLU A 104 13.740 11.956 -13.056 1.00 22.69 N ATOM 547 CA GLU A 104 12.826 10.812 -12.919 1.00 23.04 C ATOM 548 C GLU A 104 13.212 9.633 -13.811 1.00 25.16 C ATOM 549 O GLU A 104 13.116 8.492 -13.364 1.00 23.89 O ATOM 550 CB GLU A 104 11.364 11.248 -13.128 1.00 24.99 C ATOM 551 CG GLU A 104 10.858 12.130 -11.993 1.00 36.43 C ATOM 552 CD GLU A 104 9.467 12.701 -12.218 1.00 56.41 C ATOM 553 OE1 GLU A 104 8.583 12.480 -11.367 1.00 52.96 O ATOM 554 OE2 GLU A 104 9.251 13.360 -13.259 1.00 61.42 O ATOM 555 H GLU A 104 13.359 12.849 -13.430 1.00 0.00 H ATOM 556 N SER A 105 13.728 9.902 -15.029 1.00 25.07 N ATOM 557 CA SER A 105 14.201 8.844 -15.933 1.00 26.34 C ATOM 558 C SER A 105 15.428 8.165 -15.343 1.00 27.69 C ATOM 559 O SER A 105 15.448 6.935 -15.285 1.00 27.86 O ATOM 560 CB SER A 105 14.463 9.381 -17.341 1.00 32.93 C ATOM 561 OG SER A 105 13.284 9.991 -17.846 1.00 34.31 O ATOM 562 HG SER A 105 13.020 10.738 -17.252 1.00 0.00 H ATOM 563 H SER A 105 13.793 10.893 -15.339 1.00 0.00 H ATOM 564 N LEU A 106 16.404 8.944 -14.786 1.00 22.77 N ATOM 565 CA LEU A 106 17.576 8.348 -14.122 1.00 22.61 C ATOM 566 C LEU A 106 17.131 7.529 -12.879 1.00 25.01 C ATOM 567 O LEU A 106 17.635 6.431 -12.640 1.00 24.56 O ATOM 568 CB LEU A 106 18.584 9.449 -13.651 1.00 22.28 C ATOM 569 CG LEU A 106 19.485 10.087 -14.700 1.00 26.64 C ATOM 570 CD1 LEU A 106 20.354 11.195 -14.075 1.00 25.31 C ATOM 571 CD2 LEU A 106 20.366 9.041 -15.416 1.00 28.94 C ATOM 572 H LEU A 106 16.317 9.979 -14.832 1.00 0.00 H ATOM 573 N ALA A 107 16.208 8.070 -12.082 1.00 21.79 N ATOM 574 CA ALA A 107 15.748 7.377 -10.855 1.00 20.99 C ATOM 575 C ALA A 107 15.075 6.047 -11.209 1.00 22.52 C ATOM 576 O ALA A 107 15.355 5.036 -10.572 1.00 21.16 O ATOM 577 CB ALA A 107 14.791 8.248 -10.057 1.00 21.43 C ATOM 578 H ALA A 107 15.803 8.996 -12.326 1.00 0.00 H ATOM 579 N SER A 108 14.290 6.034 -12.290 1.00 19.51 N ATOM 580 CA SER A 108 13.558 4.824 -12.710 1.00 20.33 C ATOM 581 C SER A 108 14.459 3.646 -13.068 1.00 27.77 C ATOM 582 O SER A 108 14.025 2.505 -12.967 1.00 32.49 O ATOM 583 CB SER A 108 12.607 5.163 -13.848 1.00 23.63 C ATOM 584 OG SER A 108 13.339 5.236 -15.059 1.00 25.65 O ATOM 585 HG SER A 108 14.032 5.939 -14.983 1.00 0.00 H ATOM 586 H SER A 108 14.192 6.903 -12.852 1.00 0.00 H ATOM 587 N GLN A 109 15.698 3.900 -13.475 1.00 24.09 N ATOM 588 CA GLN A 109 16.553 2.786 -13.832 1.00 25.47 C ATOM 589 C GLN A 109 17.804 2.660 -12.973 1.00 26.45 C ATOM 590 O GLN A 109 18.356 1.565 -12.916 1.00 25.35 O ATOM 591 CB GLN A 109 16.879 2.805 -15.324 1.00 27.99 C ATOM 592 CG GLN A 109 15.608 2.594 -16.204 1.00 35.42 C ATOM 593 CD GLN A 109 14.922 1.226 -16.093 1.00 45.43 C ATOM 594 OE1 GLN A 109 15.514 0.189 -15.721 1.00 31.75 O ATOM 595 NE2 GLN A 109 13.655 1.182 -16.466 1.00 34.36 N ATOM 596 HE22 GLN A 109 13.173 2.051 -16.773 1.00 0.00 H ATOM 597 HE21 GLN A 109 13.140 0.279 -16.452 1.00 0.00 H ATOM 598 H GLN A 109 16.047 4.878 -13.536 1.00 0.00 H ATOM 599 N PHE A 110 18.230 3.737 -12.276 1.00 22.32 N ATOM 600 CA PHE A 110 19.478 3.655 -11.500 1.00 23.86 C ATOM 601 C PHE A 110 19.329 3.818 -9.995 1.00 25.84 C ATOM 602 O PHE A 110 20.317 3.631 -9.282 1.00 24.89 O ATOM 603 CB PHE A 110 20.510 4.662 -12.034 1.00 26.04 C ATOM 604 CG PHE A 110 20.817 4.476 -13.498 1.00 29.30 C ATOM 605 CD1 PHE A 110 21.319 3.266 -13.974 1.00 34.76 C ATOM 606 CD2 PHE A 110 20.592 5.501 -14.405 1.00 33.61 C ATOM 607 CE1 PHE A 110 21.595 3.091 -15.339 1.00 35.77 C ATOM 608 CE2 PHE A 110 20.870 5.325 -15.772 1.00 37.06 C ATOM 609 CZ PHE A 110 21.368 4.120 -16.225 1.00 34.64 C ATOM 610 H PHE A 110 17.679 4.619 -12.288 1.00 0.00 H ATOM 611 N SER A 111 18.146 4.208 -9.501 1.00 20.38 N ATOM 612 CA SER A 111 17.991 4.298 -8.036 1.00 19.69 C ATOM 613 C SER A 111 17.989 2.929 -7.374 1.00 23.30 C ATOM 614 O SER A 111 17.311 1.999 -7.843 1.00 22.70 O ATOM 615 CB SER A 111 16.711 5.041 -7.650 1.00 20.00 C ATOM 616 OG SER A 111 16.606 5.127 -6.231 1.00 19.94 O ATOM 617 HG SER A 111 15.775 5.609 -5.991 1.00 0.00 H ATOM 618 H SER A 111 17.356 4.442 -10.135 1.00 0.00 H ATOM 619 N ASP A 112 18.741 2.810 -6.280 1.00 19.31 N ATOM 620 CA ASP A 112 18.786 1.618 -5.427 1.00 19.83 C ATOM 621 C ASP A 112 17.596 1.498 -4.462 1.00 23.20 C ATOM 622 O ASP A 112 17.543 0.585 -3.659 1.00 24.61 O ATOM 623 CB ASP A 112 20.111 1.526 -4.676 1.00 20.81 C ATOM 624 CG ASP A 112 21.258 1.082 -5.569 1.00 22.17 C ATOM 625 OD1 ASP A 112 21.074 0.088 -6.336 1.00 19.16 O ATOM 626 OD2 ASP A 112 22.355 1.680 -5.461 1.00 21.22 O ATOM 627 H ASP A 112 19.337 3.619 -6.013 1.00 0.00 H ATOM 628 N CYS A 113 16.659 2.422 -4.530 1.00 20.96 N ATOM 629 CA CYS A 113 15.465 2.360 -3.703 1.00 20.85 C ATOM 630 C CYS A 113 14.380 1.679 -4.551 1.00 23.92 C ATOM 631 O CYS A 113 14.320 1.915 -5.760 1.00 22.39 O ATOM 632 CB CYS A 113 15.034 3.760 -3.277 1.00 20.27 C ATOM 633 SG CYS A 113 13.478 3.795 -2.351 1.00 22.54 S ATOM 634 H CYS A 113 16.777 3.216 -5.192 1.00 0.00 H ATOM 635 N SER A 114 13.514 0.883 -3.930 1.00 23.96 N ATOM 636 CA SER A 114 12.420 0.201 -4.654 1.00 24.25 C ATOM 637 C SER A 114 11.455 1.228 -5.257 1.00 25.88 C ATOM 638 O SER A 114 10.677 0.881 -6.136 1.00 26.12 O ATOM 639 CB SER A 114 11.667 -0.762 -3.737 1.00 28.13 C ATOM 640 OG SER A 114 11.083 -0.057 -2.655 1.00 33.84 O ATOM 641 HG SER A 114 10.599 -0.693 -2.071 1.00 0.00 H ATOM 642 H SER A 114 13.609 0.736 -2.905 1.00 0.00 H ATOM 643 N SER A 115 11.548 2.519 -4.835 1.00 21.21 N ATOM 644 CA SER A 115 10.713 3.585 -5.413 1.00 19.16 C ATOM 645 C SER A 115 11.087 3.890 -6.890 1.00 21.34 C ATOM 646 O SER A 115 10.351 4.591 -7.589 1.00 22.04 O ATOM 647 CB SER A 115 10.745 4.854 -4.562 1.00 22.43 C ATOM 648 OG SER A 115 12.054 5.410 -4.525 1.00 21.90 O ATOM 649 HG SER A 115 12.341 5.637 -5.445 1.00 0.00 H ATOM 650 H SER A 115 12.227 2.759 -4.084 1.00 0.00 H ATOM 651 N ALA A 116 12.198 3.316 -7.375 1.00 21.74 N ATOM 652 CA ALA A 116 12.626 3.402 -8.780 1.00 22.26 C ATOM 653 C ALA A 116 11.444 2.987 -9.695 1.00 24.42 C ATOM 654 O ALA A 116 11.257 3.583 -10.748 1.00 25.05 O ATOM 655 CB ALA A 116 13.788 2.453 -9.027 1.00 23.31 C ATOM 656 H ALA A 116 12.795 2.776 -6.716 1.00 0.00 H ATOM 657 N LYS A 117 10.634 1.992 -9.265 1.00 22.04 N ATOM 658 CA LYS A 117 9.495 1.512 -10.071 1.00 22.80 C ATOM 659 C LYS A 117 8.446 2.624 -10.282 1.00 26.66 C ATOM 660 O LYS A 117 7.720 2.597 -11.275 1.00 26.62 O ATOM 661 CB LYS A 117 8.876 0.240 -9.466 1.00 25.15 C ATOM 662 CG LYS A 117 8.151 0.436 -8.133 1.00 44.73 C ATOM 663 H LYS A 117 10.819 1.553 -8.340 1.00 0.00 H ATOM 664 N ALA A 118 8.406 3.611 -9.359 1.00 23.26 N ATOM 665 CA ALA A 118 7.506 4.783 -9.394 1.00 23.62 C ATOM 666 C ALA A 118 8.241 6.040 -9.860 1.00 25.44 C ATOM 667 O ALA A 118 7.831 7.176 -9.564 1.00 23.42 O ATOM 668 CB ALA A 118 6.888 5.005 -8.018 1.00 24.66 C ATOM 669 H ALA A 118 9.064 3.540 -8.557 1.00 0.00 H ATOM 670 N ARG A 119 9.311 5.836 -10.661 1.00 23.18 N ATOM 671 CA ARG A 119 10.137 6.911 -11.207 1.00 23.22 C ATOM 672 C ARG A 119 10.689 7.777 -10.065 1.00 24.40 C ATOM 673 O ARG A 119 10.805 8.990 -10.203 1.00 23.79 O ATOM 674 CB ARG A 119 9.387 7.746 -12.298 1.00 21.01 C ATOM 675 CG ARG A 119 8.975 6.884 -13.502 1.00 27.23 C ATOM 676 CD ARG A 119 8.290 7.652 -14.629 1.00 36.15 C ATOM 677 NE ARG A 119 9.153 8.627 -15.305 1.00 36.53 N ATOM 678 CZ ARG A 119 10.112 8.325 -16.179 1.00 52.31 C ATOM 679 NH1 ARG A 119 10.817 9.288 -16.755 1.00 40.31 N ATOM 680 NH2 ARG A 119 10.387 7.053 -16.468 1.00 39.78 N ATOM 681 HE ARG A 119 9.005 9.632 -15.085 1.00 0.00 H ATOM 682 HH12 ARG A 119 11.565 9.048 -17.437 1.00 0.00 H ATOM 683 HH11 ARG A 119 10.622 10.283 -16.525 1.00 0.00 H ATOM 684 HH22 ARG A 119 11.137 6.825 -17.151 1.00 0.00 H ATOM 685 HH21 ARG A 119 9.851 6.288 -16.010 1.00 0.00 H ATOM 686 H ARG A 119 9.561 4.856 -10.903 1.00 0.00 H ATOM 687 N GLY A 120 10.963 7.137 -8.937 1.00 20.72 N ATOM 688 CA GLY A 120 11.562 7.775 -7.768 1.00 21.99 C ATOM 689 C GLY A 120 10.567 8.332 -6.755 1.00 23.78 C ATOM 690 O GLY A 120 10.963 8.708 -5.660 1.00 23.68 O ATOM 691 H GLY A 120 10.739 6.123 -8.881 1.00 0.00 H ATOM 692 N ASP A 121 9.264 8.387 -7.101 1.00 20.59 N ATOM 693 CA ASP A 121 8.268 8.980 -6.209 1.00 20.36 C ATOM 694 C ASP A 121 8.108 8.257 -4.882 1.00 23.78 C ATOM 695 O ASP A 121 7.889 7.039 -4.857 1.00 23.57 O ATOM 696 CB ASP A 121 6.922 9.117 -6.937 1.00 21.23 C ATOM 697 CG ASP A 121 5.809 9.765 -6.137 1.00 28.70 C ATOM 698 OD1 ASP A 121 6.088 10.763 -5.413 1.00 21.55 O ATOM 699 OD2 ASP A 121 4.647 9.350 -6.312 1.00 27.83 O ATOM 700 H ASP A 121 8.962 8.001 -8.018 1.00 0.00 H ATOM 701 N LEU A 122 8.224 9.013 -3.783 1.00 19.69 N ATOM 702 CA LEU A 122 8.016 8.475 -2.436 1.00 20.15 C ATOM 703 C LEU A 122 6.589 8.781 -1.938 1.00 23.97 C ATOM 704 O LEU A 122 6.182 8.285 -0.887 1.00 23.79 O ATOM 705 CB LEU A 122 9.054 9.075 -1.469 1.00 20.08 C ATOM 706 CG LEU A 122 10.491 8.675 -1.761 1.00 25.52 C ATOM 707 CD1 LEU A 122 11.447 9.519 -0.976 1.00 27.16 C ATOM 708 CD2 LEU A 122 10.715 7.169 -1.545 1.00 24.76 C ATOM 709 H LEU A 122 8.470 10.018 -3.889 1.00 0.00 H ATOM 710 N GLY A 123 5.879 9.640 -2.673 1.00 22.99 N ATOM 711 CA GLY A 123 4.571 10.154 -2.289 1.00 22.83 C ATOM 712 C GLY A 123 4.762 11.197 -1.192 1.00 26.97 C ATOM 713 O GLY A 123 5.875 11.719 -1.033 1.00 25.48 O ATOM 714 H GLY A 123 6.284 9.962 -3.575 1.00 0.00 H ATOM 715 N ALA A 124 3.695 11.502 -0.430 1.00 24.08 N ATOM 716 CA ALA A 124 3.735 12.497 0.646 1.00 23.59 C ATOM 717 C ALA A 124 4.180 11.940 1.986 1.00 24.29 C ATOM 718 O ALA A 124 3.822 10.825 2.358 1.00 23.96 O ATOM 719 CB ALA A 124 2.367 13.167 0.802 1.00 24.73 C ATOM 720 H ALA A 124 2.799 11.008 -0.614 1.00 0.00 H ATOM 721 N PHE A 125 4.908 12.754 2.747 1.00 21.36 N ATOM 722 CA PHE A 125 5.342 12.362 4.092 1.00 21.96 C ATOM 723 C PHE A 125 5.401 13.572 4.993 1.00 24.03 C ATOM 724 O PHE A 125 5.697 14.684 4.521 1.00 22.46 O ATOM 725 CB PHE A 125 6.699 11.619 4.065 1.00 22.83 C ATOM 726 CG PHE A 125 7.834 12.310 3.341 1.00 22.93 C ATOM 727 CD1 PHE A 125 8.046 12.098 1.972 1.00 24.34 C ATOM 728 CD2 PHE A 125 8.721 13.142 4.029 1.00 23.66 C ATOM 729 CE1 PHE A 125 9.095 12.737 1.300 1.00 24.41 C ATOM 730 CE2 PHE A 125 9.787 13.759 3.361 1.00 25.70 C ATOM 731 CZ PHE A 125 9.983 13.537 2.005 1.00 23.60 C ATOM 732 H PHE A 125 5.175 13.689 2.379 1.00 0.00 H ATOM 733 N SER A 126 5.090 13.377 6.295 1.00 21.01 N ATOM 734 CA SER A 126 5.224 14.473 7.241 1.00 21.05 C ATOM 735 C SER A 126 6.612 14.378 7.865 1.00 25.40 C ATOM 736 O SER A 126 7.359 13.442 7.564 1.00 25.07 O ATOM 737 CB SER A 126 4.173 14.359 8.353 1.00 26.42 C ATOM 738 OG SER A 126 4.237 13.084 8.981 1.00 29.26 O ATOM 739 HG SER A 126 5.136 12.957 9.377 1.00 0.00 H ATOM 740 H SER A 126 4.756 12.447 6.618 1.00 0.00 H ATOM 741 N ARG A 127 6.913 15.266 8.815 1.00 23.66 N ATOM 742 CA ARG A 127 8.164 15.135 9.579 1.00 24.38 C ATOM 743 C ARG A 127 7.977 13.926 10.536 1.00 28.24 C ATOM 744 O ARG A 127 6.838 13.498 10.776 1.00 29.81 O ATOM 745 CB ARG A 127 8.467 16.411 10.398 1.00 23.49 C ATOM 746 CG ARG A 127 8.839 17.592 9.551 1.00 27.06 C ATOM 747 CD ARG A 127 9.568 18.626 10.355 1.00 32.00 C ATOM 748 NE ARG A 127 10.026 19.742 9.526 1.00 32.40 N ATOM 749 CZ ARG A 127 11.271 19.896 9.090 1.00 40.42 C ATOM 750 NH1 ARG A 127 12.198 18.983 9.365 1.00 29.43 N ATOM 751 NH2 ARG A 127 11.607 20.976 8.396 1.00 32.68 N ATOM 752 HE ARG A 127 9.328 20.465 9.260 1.00 0.00 H ATOM 753 HH12 ARG A 127 13.171 19.110 9.020 1.00 0.00 H ATOM 754 HH11 ARG A 127 11.950 18.142 9.925 1.00 0.00 H ATOM 755 HH22 ARG A 127 12.583 21.093 8.056 1.00 0.00 H ATOM 756 HH21 ARG A 127 10.894 21.705 8.192 1.00 0.00 H ATOM 757 H ARG A 127 6.262 16.052 9.016 1.00 0.00 H ATOM 758 N GLY A 128 9.089 13.370 11.016 1.00 25.31 N ATOM 759 CA GLY A 128 9.109 12.227 11.935 1.00 25.08 C ATOM 760 C GLY A 128 8.942 10.869 11.278 1.00 28.03 C ATOM 761 O GLY A 128 8.763 9.863 11.970 1.00 29.32 O ATOM 762 H GLY A 128 10.001 13.772 10.720 1.00 0.00 H ATOM 763 N GLN A 129 9.014 10.816 9.938 1.00 24.79 N ATOM 764 CA GLN A 129 8.787 9.567 9.192 1.00 24.18 C ATOM 765 C GLN A 129 10.056 9.034 8.527 1.00 27.50 C ATOM 766 O GLN A 129 10.461 7.895 8.776 1.00 27.18 O ATOM 767 CB GLN A 129 7.683 9.757 8.145 1.00 25.73 C ATOM 768 CG GLN A 129 6.442 10.513 8.656 1.00 37.25 C ATOM 769 CD GLN A 129 5.874 9.974 9.957 1.00 47.16 C ATOM 770 OE1 GLN A 129 5.611 8.785 10.100 1.00 42.76 O ATOM 771 NE2 GLN A 129 5.674 10.840 10.943 1.00 36.15 N ATOM 772 HE22 GLN A 129 5.902 11.845 10.806 1.00 0.00 H ATOM 773 HE21 GLN A 129 5.289 10.513 11.852 1.00 0.00 H ATOM 774 H GLN A 129 9.237 11.684 9.411 1.00 0.00 H ATOM 775 N MET A 130 10.683 9.874 7.693 1.00 23.99 N ATOM 776 CA MET A 130 11.877 9.493 6.938 1.00 22.93 C ATOM 777 C MET A 130 13.089 9.723 7.825 1.00 24.55 C ATOM 778 O MET A 130 12.956 10.374 8.870 1.00 25.09 O ATOM 779 CB MET A 130 11.988 10.366 5.673 1.00 24.11 C ATOM 780 CG MET A 130 10.824 10.244 4.740 1.00 27.57 C ATOM 781 SD MET A 130 10.737 8.608 3.975 1.00 33.05 S ATOM 782 CE MET A 130 9.532 8.908 2.706 1.00 30.57 C ATOM 783 H MET A 130 10.306 10.836 7.577 1.00 0.00 H ATOM 784 N GLN A 131 14.283 9.250 7.392 1.00 22.55 N ATOM 785 CA GLN A 131 15.517 9.521 8.142 1.00 22.79 C ATOM 786 C GLN A 131 15.679 11.031 8.215 1.00 26.78 C ATOM 787 O GLN A 131 15.386 11.736 7.229 1.00 23.71 O ATOM 788 CB GLN A 131 16.734 8.886 7.475 1.00 25.00 C ATOM 789 CG GLN A 131 16.617 7.371 7.447 1.00 36.80 C ATOM 790 CD GLN A 131 17.574 6.763 8.412 1.00 64.04 C ATOM 791 OE1 GLN A 131 17.267 6.564 9.592 1.00 61.41 O ATOM 792 NE2 GLN A 131 18.763 6.466 7.916 1.00 57.93 N ATOM 793 HE22 GLN A 131 18.970 6.654 6.914 1.00 0.00 H ATOM 794 HE21 GLN A 131 19.491 6.044 8.527 1.00 0.00 H ATOM 795 H GLN A 131 14.326 8.688 6.518 1.00 0.00 H ATOM 796 N LYS A 132 16.059 11.534 9.406 1.00 22.96 N ATOM 797 CA LYS A 132 16.167 12.966 9.662 1.00 21.98 C ATOM 798 C LYS A 132 16.917 13.768 8.565 1.00 23.76 C ATOM 799 O LYS A 132 16.370 14.790 8.159 1.00 21.57 O ATOM 800 CB LYS A 132 16.759 13.245 11.051 1.00 26.26 C ATOM 801 CG LYS A 132 16.706 14.702 11.465 1.00 31.07 C ATOM 802 CD LYS A 132 17.430 14.883 12.791 1.00 48.26 C ATOM 803 CE LYS A 132 17.552 16.337 13.185 1.00 69.15 C ATOM 804 NZ LYS A 132 18.130 16.483 14.549 1.00 81.27 N ATOM 805 HZ1 LYS A 132 17.515 16.004 15.238 1.00 0.00 H ATOM 806 HZ2 LYS A 132 19.077 16.054 14.571 1.00 0.00 H ATOM 807 HZ3 LYS A 132 18.200 17.493 14.788 1.00 0.00 H ATOM 808 H LYS A 132 16.285 10.873 10.176 1.00 0.00 H ATOM 809 N PRO A 133 18.115 13.365 8.045 1.00 22.05 N ATOM 810 CA PRO A 133 18.776 14.205 7.028 1.00 21.06 C ATOM 811 C PRO A 133 17.975 14.274 5.732 1.00 23.58 C ATOM 812 O PRO A 133 17.954 15.316 5.077 1.00 22.08 O ATOM 813 CB PRO A 133 20.153 13.530 6.830 1.00 23.79 C ATOM 814 CG PRO A 133 20.347 12.648 8.028 1.00 28.38 C ATOM 815 CD PRO A 133 18.957 12.194 8.391 1.00 24.58 C ATOM 816 N PHE A 134 17.240 13.196 5.428 1.00 19.76 N ATOM 817 CA PHE A 134 16.388 13.164 4.258 1.00 18.74 C ATOM 818 C PHE A 134 15.201 14.128 4.476 1.00 22.63 C ATOM 819 O PHE A 134 14.856 14.891 3.585 1.00 22.57 O ATOM 820 CB PHE A 134 15.925 11.735 3.960 1.00 20.22 C ATOM 821 CG PHE A 134 15.220 11.622 2.626 1.00 20.95 C ATOM 822 CD1 PHE A 134 13.857 11.902 2.514 1.00 21.45 C ATOM 823 CD2 PHE A 134 15.902 11.171 1.492 1.00 22.09 C ATOM 824 CE1 PHE A 134 13.209 11.831 1.269 1.00 21.61 C ATOM 825 CE2 PHE A 134 15.250 11.063 0.259 1.00 23.71 C ATOM 826 CZ PHE A 134 13.920 11.424 0.143 1.00 20.97 C ATOM 827 H PHE A 134 17.283 12.362 6.048 1.00 0.00 H ATOM 828 N GLU A 135 14.574 14.052 5.648 1.00 20.12 N ATOM 829 CA GLU A 135 13.482 14.937 6.011 1.00 19.16 C ATOM 830 C GLU A 135 13.904 16.428 5.929 1.00 21.60 C ATOM 831 O GLU A 135 13.217 17.242 5.301 1.00 20.90 O ATOM 832 CB GLU A 135 13.048 14.607 7.427 1.00 19.11 C ATOM 833 CG GLU A 135 11.932 15.518 7.884 1.00 24.14 C ATOM 834 CD GLU A 135 11.645 15.249 9.338 1.00 28.80 C ATOM 835 OE1 GLU A 135 11.380 14.071 9.672 1.00 25.33 O ATOM 836 OE2 GLU A 135 11.793 16.191 10.151 1.00 26.81 O ATOM 837 H GLU A 135 14.879 13.329 6.331 1.00 0.00 H ATOM 838 N ASP A 136 15.007 16.783 6.593 1.00 20.64 N ATOM 839 CA ASP A 136 15.459 18.176 6.608 1.00 21.68 C ATOM 840 C ASP A 136 15.733 18.709 5.221 1.00 23.69 C ATOM 841 O ASP A 136 15.267 19.810 4.902 1.00 23.80 O ATOM 842 CB ASP A 136 16.682 18.348 7.525 1.00 23.88 C ATOM 843 CG ASP A 136 16.363 18.163 9.007 1.00 31.04 C ATOM 844 OD1 ASP A 136 15.176 18.286 9.381 1.00 32.00 O ATOM 845 OD2 ASP A 136 17.301 17.895 9.782 1.00 35.07 O ATOM 846 H ASP A 136 15.552 16.061 7.106 1.00 0.00 H ATOM 847 N ALA A 137 16.392 17.900 4.370 1.00 21.66 N ATOM 848 CA ALA A 137 16.687 18.298 2.990 1.00 22.80 C ATOM 849 C ALA A 137 15.368 18.505 2.230 1.00 24.03 C ATOM 850 O ALA A 137 15.187 19.542 1.602 1.00 24.02 O ATOM 851 CB ALA A 137 17.561 17.258 2.297 1.00 23.32 C ATOM 852 H ALA A 137 16.701 16.964 4.702 1.00 0.00 H ATOM 853 N SER A 138 14.424 17.560 2.363 1.00 22.18 N ATOM 854 CA SER A 138 13.129 17.601 1.663 1.00 21.34 C ATOM 855 C SER A 138 12.281 18.827 2.000 1.00 24.48 C ATOM 856 O SER A 138 11.801 19.503 1.089 1.00 22.63 O ATOM 857 CB SER A 138 12.333 16.338 1.976 1.00 23.44 C ATOM 858 OG SER A 138 12.999 15.187 1.487 1.00 22.26 O ATOM 859 HG SER A 138 13.890 15.117 1.913 1.00 0.00 H ATOM 860 H SER A 138 14.617 16.756 2.994 1.00 0.00 H ATOM 861 N PHE A 139 12.126 19.129 3.310 1.00 22.60 N ATOM 862 CA PHE A 139 11.312 20.280 3.748 1.00 22.99 C ATOM 863 C PHE A 139 12.000 21.636 3.453 1.00 28.71 C ATOM 864 O PHE A 139 11.311 22.658 3.362 1.00 28.55 O ATOM 865 CB PHE A 139 10.899 20.126 5.220 1.00 23.58 C ATOM 866 CG PHE A 139 9.755 19.168 5.446 1.00 23.32 C ATOM 867 CD1 PHE A 139 9.988 17.807 5.625 1.00 24.52 C ATOM 868 CD2 PHE A 139 8.444 19.627 5.508 1.00 24.80 C ATOM 869 CE1 PHE A 139 8.925 16.914 5.808 1.00 24.59 C ATOM 870 CE2 PHE A 139 7.381 18.742 5.719 1.00 26.63 C ATOM 871 CZ PHE A 139 7.625 17.386 5.838 1.00 25.35 C ATOM 872 H PHE A 139 12.592 18.536 4.026 1.00 0.00 H ATOM 873 N ALA A 140 13.329 21.635 3.234 1.00 23.87 N ATOM 874 CA ALA A 140 14.061 22.867 2.925 1.00 25.06 C ATOM 875 C ALA A 140 13.930 23.232 1.432 1.00 26.19 C ATOM 876 O ALA A 140 14.167 24.386 1.063 1.00 25.59 O ATOM 877 CB ALA A 140 15.530 22.730 3.324 1.00 25.01 C ATOM 878 H ALA A 140 13.850 20.736 3.285 1.00 0.00 H ATOM 879 N LEU A 141 13.532 22.255 0.565 1.00 20.24 N ATOM 880 CA LEU A 141 13.394 22.532 -0.867 1.00 19.32 C ATOM 881 C LEU A 141 12.077 23.240 -1.164 1.00 23.41 C ATOM 882 O LEU A 141 11.086 23.010 -0.465 1.00 22.43 O ATOM 883 CB LEU A 141 13.376 21.210 -1.675 1.00 19.10 C ATOM 884 CG LEU A 141 14.642 20.357 -1.649 1.00 22.21 C ATOM 885 CD1 LEU A 141 14.333 18.923 -2.176 1.00 21.83 C ATOM 886 CD2 LEU A 141 15.812 21.042 -2.450 1.00 26.08 C ATOM 887 H LEU A 141 13.324 21.302 0.926 1.00 0.00 H ATOM 888 N ARG A 142 12.067 24.033 -2.243 1.00 21.84 N ATOM 889 CA ARG A 142 10.853 24.658 -2.788 1.00 23.64 C ATOM 890 C ARG A 142 10.283 23.586 -3.728 1.00 25.61 C ATOM 891 O ARG A 142 11.043 22.727 -4.187 1.00 23.98 O ATOM 892 CB ARG A 142 11.225 25.871 -3.663 1.00 29.49 C ATOM 893 CG ARG A 142 11.805 27.070 -2.924 1.00 46.67 C ATOM 894 CD ARG A 142 12.144 28.193 -3.896 1.00 60.74 C ATOM 895 NE ARG A 142 12.777 29.330 -3.219 1.00 77.56 N ATOM 896 CZ ARG A 142 13.204 30.432 -3.832 1.00 95.92 C ATOM 897 NH1 ARG A 142 13.068 30.565 -5.147 1.00 88.43 N ATOM 898 NH2 ARG A 142 13.768 31.410 -3.135 1.00 80.01 N ATOM 899 HE ARG A 142 12.901 29.271 -2.188 1.00 0.00 H ATOM 900 HH12 ARG A 142 13.404 31.428 -5.620 1.00 0.00 H ATOM 901 HH11 ARG A 142 12.626 29.806 -5.703 1.00 0.00 H ATOM 902 HH22 ARG A 142 14.100 32.269 -3.619 1.00 0.00 H ATOM 903 HH21 ARG A 142 13.878 31.318 -2.105 1.00 0.00 H ATOM 904 H ARG A 142 12.971 24.218 -2.723 1.00 0.00 H ATOM 905 N THR A 143 8.982 23.646 -4.076 1.00 23.11 N ATOM 906 CA THR A 143 8.504 22.677 -5.079 1.00 22.07 C ATOM 907 C THR A 143 9.241 22.921 -6.433 1.00 24.62 C ATOM 908 O THR A 143 9.420 24.069 -6.837 1.00 25.18 O ATOM 909 CB THR A 143 6.974 22.760 -5.249 1.00 29.77 C ATOM 910 OG1 THR A 143 6.665 24.041 -5.797 1.00 30.72 O ATOM 911 CG2 THR A 143 6.233 22.559 -3.912 1.00 27.51 C ATOM 912 HG1 THR A 143 7.115 24.141 -6.673 1.00 0.00 H ATOM 913 H THR A 143 8.341 24.348 -3.654 1.00 0.00 H ATOM 914 N GLY A 144 9.647 21.845 -7.101 1.00 20.10 N ATOM 915 CA GLY A 144 10.368 21.870 -8.379 1.00 20.62 C ATOM 916 C GLY A 144 11.879 22.009 -8.201 1.00 24.99 C ATOM 917 O GLY A 144 12.623 22.098 -9.181 1.00 27.38 O ATOM 918 H GLY A 144 9.438 20.915 -6.686 1.00 0.00 H ATOM 919 N GLU A 145 12.340 22.012 -6.955 1.00 22.08 N ATOM 920 CA GLU A 145 13.770 22.165 -6.641 1.00 21.92 C ATOM 921 C GLU A 145 14.419 20.817 -6.311 1.00 23.22 C ATOM 922 O GLU A 145 13.792 19.968 -5.685 1.00 23.31 O ATOM 923 CB GLU A 145 13.962 23.160 -5.488 1.00 23.42 C ATOM 924 CG GLU A 145 15.401 23.627 -5.282 1.00 32.60 C ATOM 925 CD GLU A 145 15.694 24.404 -4.008 1.00 49.61 C ATOM 926 OE1 GLU A 145 14.743 24.700 -3.250 1.00 26.04 O ATOM 927 OE2 GLU A 145 16.885 24.694 -3.753 1.00 52.26 O ATOM 928 H GLU A 145 11.665 21.902 -6.172 1.00 0.00 H ATOM 929 N MET A 146 15.717 20.675 -6.672 1.00 18.11 N ATOM 930 CA MET A 146 16.446 19.465 -6.427 1.00 18.19 C ATOM 931 C MET A 146 17.535 19.744 -5.434 1.00 22.41 C ATOM 932 O MET A 146 18.151 20.804 -5.467 1.00 21.16 O ATOM 933 CB MET A 146 16.997 18.952 -7.763 1.00 21.36 C ATOM 934 CG MET A 146 17.783 17.709 -7.668 1.00 25.82 C ATOM 935 SD MET A 146 18.515 17.298 -9.295 1.00 30.55 S ATOM 936 CE MET A 146 19.907 18.365 -9.348 1.00 29.32 C ATOM 937 H MET A 146 16.199 21.468 -7.141 1.00 0.00 H ATOM 938 N SER A 147 17.763 18.793 -4.535 1.00 20.06 N ATOM 939 CA SER A 147 18.802 18.921 -3.518 1.00 19.06 C ATOM 940 C SER A 147 20.180 18.606 -4.143 1.00 22.65 C ATOM 941 O SER A 147 20.267 18.091 -5.249 1.00 22.53 O ATOM 942 CB SER A 147 18.540 17.916 -2.395 1.00 21.04 C ATOM 943 OG SER A 147 18.890 16.596 -2.796 1.00 20.30 O ATOM 944 HG SER A 147 19.852 16.567 -3.029 1.00 0.00 H ATOM 945 H SER A 147 17.183 17.930 -4.557 1.00 0.00 H ATOM 946 N GLY A 148 21.226 18.876 -3.373 1.00 19.57 N ATOM 947 CA GLY A 148 22.559 18.409 -3.680 1.00 19.40 C ATOM 948 C GLY A 148 22.633 17.027 -3.027 1.00 23.02 C ATOM 949 O GLY A 148 21.593 16.453 -2.668 1.00 20.94 O ATOM 950 H GLY A 148 21.081 19.446 -2.515 1.00 0.00 H ATOM 951 N PRO A 149 23.823 16.446 -2.805 1.00 19.46 N ATOM 952 CA PRO A 149 23.885 15.109 -2.161 1.00 18.94 C ATOM 953 C PRO A 149 23.336 15.133 -0.731 1.00 21.84 C ATOM 954 O PRO A 149 23.582 16.082 0.030 1.00 21.68 O ATOM 955 CB PRO A 149 25.394 14.822 -2.111 1.00 19.98 C ATOM 956 CG PRO A 149 25.946 15.649 -3.234 1.00 23.94 C ATOM 957 CD PRO A 149 25.175 16.926 -3.155 1.00 21.45 C ATOM 958 N VAL A 150 22.577 14.101 -0.380 1.00 19.04 N ATOM 959 CA VAL A 150 21.962 13.937 0.939 1.00 18.84 C ATOM 960 C VAL A 150 22.386 12.572 1.477 1.00 23.21 C ATOM 961 O VAL A 150 22.153 11.550 0.830 1.00 22.08 O ATOM 962 CB VAL A 150 20.406 14.126 0.910 1.00 21.30 C ATOM 963 CG1 VAL A 150 19.775 13.848 2.289 1.00 21.12 C ATOM 964 CG2 VAL A 150 20.035 15.530 0.423 1.00 21.46 C ATOM 965 H VAL A 150 22.408 13.360 -1.090 1.00 0.00 H ATOM 966 N PHE A 151 22.951 12.555 2.690 1.00 20.90 N ATOM 967 CA PHE A 151 23.434 11.320 3.299 1.00 20.28 C ATOM 968 C PHE A 151 22.511 10.802 4.353 1.00 23.67 C ATOM 969 O PHE A 151 22.097 11.552 5.234 1.00 23.15 O ATOM 970 CB PHE A 151 24.826 11.560 3.912 1.00 21.81 C ATOM 971 CG PHE A 151 25.844 11.876 2.858 1.00 22.70 C ATOM 972 CD1 PHE A 151 25.941 13.161 2.321 1.00 24.70 C ATOM 973 CD2 PHE A 151 26.683 10.890 2.367 1.00 25.53 C ATOM 974 CE1 PHE A 151 26.869 13.450 1.315 1.00 26.26 C ATOM 975 CE2 PHE A 151 27.648 11.198 1.396 1.00 28.90 C ATOM 976 CZ PHE A 151 27.722 12.477 0.881 1.00 26.17 C ATOM 977 H PHE A 151 23.049 13.448 3.214 1.00 0.00 H ATOM 978 N THR A 152 22.150 9.514 4.255 1.00 19.50 N ATOM 979 CA THR A 152 21.364 8.838 5.285 1.00 19.69 C ATOM 980 C THR A 152 22.071 7.504 5.501 1.00 22.99 C ATOM 981 O THR A 152 22.993 7.153 4.729 1.00 22.20 O ATOM 982 CB THR A 152 19.920 8.560 4.838 1.00 21.20 C ATOM 983 OG1 THR A 152 19.930 7.513 3.852 1.00 21.60 O ATOM 984 CG2 THR A 152 19.177 9.810 4.367 1.00 19.91 C ATOM 985 HG1 THR A 152 20.472 7.799 3.074 1.00 0.00 H ATOM 986 H THR A 152 22.441 8.976 3.414 1.00 0.00 H ATOM 987 N ASP A 153 21.560 6.707 6.456 1.00 20.51 N ATOM 988 CA ASP A 153 22.090 5.370 6.712 1.00 22.88 C ATOM 989 C ASP A 153 21.868 4.450 5.476 1.00 24.28 C ATOM 990 O ASP A 153 22.591 3.467 5.315 1.00 23.84 O ATOM 991 CB ASP A 153 21.434 4.757 7.964 1.00 25.81 C ATOM 992 CG ASP A 153 21.763 5.450 9.275 1.00 40.79 C ATOM 993 OD1 ASP A 153 22.893 5.984 9.403 1.00 42.46 O ATOM 994 OD2 ASP A 153 20.913 5.415 10.190 1.00 51.75 O ATOM 995 H ASP A 153 20.764 7.053 7.029 1.00 0.00 H ATOM 996 N SER A 154 20.894 4.787 4.585 1.00 21.46 N ATOM 997 CA SER A 154 20.644 3.926 3.410 1.00 20.10 C ATOM 998 C SER A 154 21.673 4.152 2.307 1.00 22.28 C ATOM 999 O SER A 154 21.865 3.290 1.457 1.00 20.42 O ATOM 1000 CB SER A 154 19.267 4.196 2.821 1.00 22.32 C ATOM 1001 OG SER A 154 18.267 3.983 3.806 1.00 29.13 O ATOM 1002 HG SER A 154 18.309 3.045 4.120 1.00 0.00 H ATOM 1003 H SER A 154 20.328 5.647 4.731 1.00 0.00 H ATOM 1004 N GLY A 155 22.282 5.328 2.302 1.00 19.72 N ATOM 1005 CA GLY A 155 23.235 5.674 1.256 1.00 20.75 C ATOM 1006 C GLY A 155 23.161 7.138 0.896 1.00 22.81 C ATOM 1007 O GLY A 155 22.997 7.969 1.787 1.00 21.93 O ATOM 1008 H GLY A 155 22.077 6.014 3.056 1.00 0.00 H ATOM 1009 N ILE A 156 23.373 7.467 -0.395 1.00 18.09 N ATOM 1010 CA ILE A 156 23.426 8.873 -0.818 1.00 17.17 C ATOM 1011 C ILE A 156 22.281 9.151 -1.763 1.00 20.32 C ATOM 1012 O ILE A 156 22.102 8.416 -2.736 1.00 20.26 O ATOM 1013 CB ILE A 156 24.813 9.244 -1.437 1.00 18.98 C ATOM 1014 CG1 ILE A 156 25.995 8.685 -0.587 1.00 18.99 C ATOM 1015 CG2 ILE A 156 24.933 10.760 -1.637 1.00 18.79 C ATOM 1016 CD1 ILE A 156 27.385 8.882 -1.257 1.00 22.83 C ATOM 1017 H ILE A 156 23.501 6.714 -1.101 1.00 0.00 H ATOM 1018 N HIS A 157 21.560 10.242 -1.519 1.00 17.92 N ATOM 1019 CA HIS A 157 20.408 10.571 -2.299 1.00 17.38 C ATOM 1020 C HIS A 157 20.503 11.948 -2.961 1.00 20.58 C ATOM 1021 O HIS A 157 21.233 12.830 -2.505 1.00 20.09 O ATOM 1022 CB HIS A 157 19.152 10.702 -1.377 1.00 18.28 C ATOM 1023 CG HIS A 157 18.912 9.652 -0.335 1.00 20.43 C ATOM 1024 ND1 HIS A 157 17.815 8.840 -0.397 1.00 21.39 N ATOM 1025 CD2 HIS A 157 19.624 9.337 0.777 1.00 22.61 C ATOM 1026 CE1 HIS A 157 17.858 8.069 0.685 1.00 20.74 C ATOM 1027 NE2 HIS A 157 18.948 8.306 1.401 1.00 21.52 N ATOM 1028 H HIS A 157 21.842 10.872 -0.741 1.00 0.00 H ATOM 1029 N ILE A 158 19.693 12.091 -4.018 1.00 17.72 N ATOM 1030 CA ILE A 158 19.340 13.341 -4.692 1.00 18.87 C ATOM 1031 C ILE A 158 17.815 13.408 -4.538 1.00 21.92 C ATOM 1032 O ILE A 158 17.163 12.383 -4.729 1.00 20.40 O ATOM 1033 CB ILE A 158 19.832 13.390 -6.162 1.00 22.88 C ATOM 1034 CG1 ILE A 158 21.356 13.499 -6.184 1.00 24.27 C ATOM 1035 CG2 ILE A 158 19.238 14.561 -6.916 1.00 25.12 C ATOM 1036 CD1 ILE A 158 21.850 14.584 -5.309 1.00 25.42 C ATOM 1037 H ILE A 158 19.270 11.221 -4.400 1.00 0.00 H ATOM 1038 N ILE A 159 17.258 14.553 -4.108 1.00 18.65 N ATOM 1039 CA ILE A 159 15.818 14.651 -3.882 1.00 17.72 C ATOM 1040 C ILE A 159 15.244 15.722 -4.755 1.00 20.97 C ATOM 1041 O ILE A 159 15.831 16.785 -4.868 1.00 20.80 O ATOM 1042 CB ILE A 159 15.539 14.977 -2.378 1.00 19.91 C ATOM 1043 CG1 ILE A 159 16.345 14.034 -1.442 1.00 19.75 C ATOM 1044 CG2 ILE A 159 14.016 14.979 -2.067 1.00 20.91 C ATOM 1045 CD1 ILE A 159 16.358 14.456 0.083 1.00 22.16 C ATOM 1046 H ILE A 159 17.861 15.382 -3.933 1.00 0.00 H ATOM 1047 N LEU A 160 14.047 15.474 -5.288 1.00 18.33 N ATOM 1048 CA LEU A 160 13.305 16.449 -6.063 1.00 18.74 C ATOM 1049 C LEU A 160 11.964 16.682 -5.369 1.00 22.22 C ATOM 1050 O LEU A 160 11.173 15.739 -5.232 1.00 19.96 O ATOM 1051 CB LEU A 160 13.070 15.917 -7.481 1.00 20.06 C ATOM 1052 CG LEU A 160 12.102 16.745 -8.312 1.00 24.34 C ATOM 1053 CD1 LEU A 160 12.680 18.092 -8.677 1.00 24.46 C ATOM 1054 CD2 LEU A 160 11.666 15.967 -9.536 1.00 28.98 C ATOM 1055 H LEU A 160 13.625 14.535 -5.140 1.00 0.00 H ATOM 1056 N ARG A 161 11.707 17.913 -4.904 1.00 18.72 N ATOM 1057 CA ARG A 161 10.434 18.163 -4.234 1.00 18.62 C ATOM 1058 C ARG A 161 9.372 18.428 -5.329 1.00 20.20 C ATOM 1059 O ARG A 161 9.591 19.263 -6.194 1.00 21.30 O ATOM 1060 CB ARG A 161 10.533 19.328 -3.215 1.00 19.76 C ATOM 1061 CG ARG A 161 9.186 19.481 -2.489 1.00 24.84 C ATOM 1062 CD ARG A 161 9.157 20.612 -1.483 1.00 23.09 C ATOM 1063 NE ARG A 161 7.758 20.913 -1.141 1.00 23.19 N ATOM 1064 CZ ARG A 161 7.360 22.028 -0.549 1.00 29.54 C ATOM 1065 NH1 ARG A 161 8.239 22.974 -0.243 1.00 24.97 N ATOM 1066 NH2 ARG A 161 6.065 22.230 -0.306 1.00 23.47 N ATOM 1067 HE ARG A 161 7.035 20.204 -1.380 1.00 0.00 H ATOM 1068 HH12 ARG A 161 7.921 23.848 0.222 1.00 0.00 H ATOM 1069 HH11 ARG A 161 9.246 22.841 -0.468 1.00 0.00 H ATOM 1070 HH22 ARG A 161 5.754 23.107 0.159 1.00 0.00 H ATOM 1071 HH21 ARG A 161 5.366 21.511 -0.582 1.00 0.00 H ATOM 1072 H ARG A 161 12.403 18.677 -5.019 1.00 0.00 H ATOM 1073 N THR A 162 8.247 17.696 -5.309 1.00 19.10 N ATOM 1074 CA THR A 162 7.194 17.878 -6.313 1.00 18.70 C ATOM 1075 C THR A 162 5.943 18.618 -5.767 1.00 23.47 C ATOM 1076 O THR A 162 5.234 19.266 -6.543 1.00 22.67 O ATOM 1077 CB THR A 162 6.833 16.509 -6.954 1.00 25.21 C ATOM 1078 OG1 THR A 162 6.399 15.649 -5.904 1.00 23.38 O ATOM 1079 CG2 THR A 162 8.054 15.866 -7.691 1.00 20.17 C ATOM 1080 HG1 THR A 162 6.161 14.765 -6.280 1.00 0.00 H ATOM 1081 H THR A 162 8.119 16.982 -4.563 1.00 0.00 H ATOM 1082 N GLU A 163 5.634 18.467 -4.457 1.00 20.66 N ATOM 1083 CA GLU A 163 4.489 19.137 -3.828 1.00 22.20 C ATOM 1084 C GLU A 163 4.872 19.592 -2.434 1.00 24.92 C ATOM 1085 O GLU A 163 5.736 18.943 -1.791 1.00 21.82 O ATOM 1086 CB GLU A 163 3.255 18.221 -3.742 1.00 22.54 C ATOM 1087 CG GLU A 163 2.826 17.603 -5.058 1.00 22.28 C ATOM 1088 CD GLU A 163 1.658 16.637 -5.008 1.00 23.05 C ATOM 1089 OE1 GLU A 163 0.993 16.556 -3.952 1.00 22.06 O ATOM 1090 OE2 GLU A 163 1.436 15.931 -6.020 1.00 21.80 O ATOM 1091 OXT GLU A 163 4.223 20.528 -1.952 1.00 24.08 O ATOM 1092 H GLU A 163 6.233 17.850 -3.872 1.00 0.00 H TER 1093 GLU A 163 HETATM 1094 O HOH 1 17.367 10.895 -18.891 1.00 38.14 O HETATM 1095 O HOH 2 26.518 -2.654 4.777 1.00 33.18 O HETATM 1096 O HOH 3 23.555 13.192 6.724 1.00 34.70 O HETATM 1097 O HOH 4 11.594 22.548 -11.585 1.00 28.51 O HETATM 1098 O HOH 5 29.409 -5.806 -8.246 1.00 34.60 O HETATM 1099 O HOH 6 11.856 15.511 12.726 1.00 31.31 O HETATM 1100 O HOH 7 22.871 -8.933 -0.357 1.00 41.98 O HETATM 1101 O HOH 8 23.270 -0.695 -7.675 1.00 21.09 O HETATM 1102 O HOH 9 5.654 20.199 8.716 1.00 39.27 O HETATM 1103 O HOH 10 17.652 15.039 -21.682 1.00 38.65 O HETATM 1104 O HOH 11 8.053 10.251 14.548 1.00 28.58 O HETATM 1105 O HOH 12 16.623 -1.581 -1.931 1.00 46.83 O HETATM 1106 O HOH 13 16.433 -6.672 -11.002 1.00 25.41 O HETATM 1107 O HOH 14 20.298 16.674 5.230 1.00 30.38 O HETATM 1108 O HOH 15 15.969 -2.188 -16.962 1.00 33.14 O HETATM 1109 O HOH 16 18.907 22.885 -3.544 1.00 43.53 O HETATM 1110 O HOH 17 33.048 -1.217 -1.445 1.00 21.27 O HETATM 1111 O HOH 18 8.290 11.192 -14.616 1.00 50.02 O HETATM 1112 O HOH 19 2.383 16.972 -8.363 1.00 52.28 O HETATM 1113 O HOH 20 5.223 17.572 9.328 1.00 30.47 O HETATM 1114 O HOH 21 15.182 -2.376 -3.963 1.00 43.53 O HETATM 1115 O HOH 22 27.696 18.073 -7.933 1.00 27.77 O HETATM 1116 O HOH 23 11.386 25.675 -7.925 1.00 36.76 O HETATM 1117 O HOH 24 10.097 12.630 7.681 1.00 22.60 O HETATM 1118 O HOH 25 37.010 11.255 -2.366 1.00 57.71 O HETATM 1119 O HOH 26 26.019 -7.892 -6.695 1.00 33.05 O HETATM 1120 O HOH 27 6.149 19.791 -9.118 1.00 43.27 O HETATM 1121 O HOH 28 32.042 1.806 1.239 1.00 27.07 O HETATM 1122 O HOH 29 27.537 -1.448 -6.366 1.00 23.10 O HETATM 1123 O HOH 30 10.443 12.146 -16.636 1.00 37.08 O HETATM 1124 O HOH 31 21.721 19.813 -6.919 1.00 29.56 O HETATM 1125 O HOH 32 33.436 10.869 -4.082 1.00 27.68 O HETATM 1126 O HOH 33 22.626 18.719 -0.351 1.00 41.38 O HETATM 1127 O HOH 34 4.420 9.646 13.200 1.00 36.96 O HETATM 1128 O HOH 35 1.231 15.706 -1.230 1.00 24.21 O HETATM 1129 O HOH 36 11.324 1.525 -13.206 1.00 43.00 O HETATM 1130 O HOH 37 9.475 3.514 -13.375 1.00 34.63 O HETATM 1131 O HOH 38 -0.416 19.093 -3.649 1.00 25.98 O HETATM 1132 O HOH 39 17.185 9.578 11.319 1.00 28.58 O HETATM 1133 O HOH 40 25.648 7.122 3.312 1.00 31.40 O HETATM 1134 O HOH 41 32.284 12.966 -5.964 1.00 27.80 O HETATM 1135 O HOH 42 1.144 10.030 -1.285 1.00 31.36 O HETATM 1136 O HOH 43 36.045 11.257 -5.448 1.00 40.35 O HETATM 1137 O HOH 44 35.011 5.008 -0.030 1.00 24.88 O HETATM 1138 O HOH 45 17.811 12.362 -21.770 1.00 44.53 O HETATM 1139 O HOH 46 24.654 -7.580 1.179 1.00 36.02 O HETATM 1140 O HOH 47 18.216 24.858 -6.649 1.00 38.12 O HETATM 1141 O HOH 48 17.172 -6.464 -2.033 1.00 60.26 O HETATM 1142 O HOH 49 13.394 6.464 5.951 1.00 34.76 O HETATM 1143 O HOH 50 6.448 10.045 -10.364 1.00 43.81 O HETATM 1144 O HOH 51 11.933 13.409 -20.136 1.00 56.67 O HETATM 1145 O HOH 52 17.299 24.143 0.001 1.00 50.46 O HETATM 1146 O HOH 53 34.618 2.511 1.151 1.00 42.37 O HETATM 1147 O HOH 54 34.840 7.167 1.592 1.00 48.44 O HETATM 1148 O HOH 55 25.475 2.357 -11.461 1.00 48.76 O HETATM 1149 O HOH 56 17.087 5.063 -17.765 1.00 39.28 O HETATM 1150 O HOH 57 24.911 16.515 -23.311 1.00 42.67 O HETATM 1151 O HOH 58 29.868 9.654 -12.697 1.00 37.09 O HETATM 1152 O HOH 59 28.822 -1.407 -8.848 1.00 37.61 O HETATM 1153 O HOH 60 5.369 13.283 -8.737 1.00 41.45 O HETATM 1154 O HOH 61 20.242 19.106 3.993 1.00 44.92 O HETATM 1155 O HOH 62 4.995 9.064 5.936 1.00 54.77 O HETATM 1156 O HOH 63 30.289 15.417 -13.959 1.00 42.06 O HETATM 1157 O HOH 64 7.193 13.036 -6.318 1.00 20.24 O HETATM 1158 O HOH 65 31.326 12.704 -10.442 1.00 36.42 O HETATM 1159 O HOH 66 22.555 3.126 -7.907 1.00 26.41 O HETATM 1160 O HOH 67 2.639 20.082 0.217 1.00 30.94 O HETATM 1161 O HOH 68 26.996 9.541 -12.638 1.00 25.56 O HETATM 1162 O HOH 69 2.770 22.300 -3.283 1.00 38.14 O HETATM 1163 O HOH 70 14.154 6.096 -6.222 1.00 20.24 O HETATM 1164 O HOH 71 20.579 0.636 2.601 1.00 31.31 O HETATM 1165 O HOH 72 10.691 25.671 1.309 1.00 51.26 O HETATM 1166 O HOH 73 24.953 5.330 -14.004 1.00 41.72 O HETATM 1167 O HOH 74 14.151 21.446 6.837 1.00 31.21 O HETATM 1168 O HOH 75 31.512 -2.205 -7.486 1.00 31.35 O HETATM 1169 O HOH 76 7.684 25.935 -2.912 1.00 33.62 O HETATM 1170 O HOH 77 29.096 1.536 -9.211 1.00 28.86 O HETATM 1171 O HOH 78 13.272 24.027 6.137 1.00 46.80 O HETATM 1172 O HOH 79 31.571 5.965 -9.426 1.00 35.70 O HETATM 1173 O HOH 80 18.181 7.510 -18.092 1.00 63.67 O HETATM 1174 O HOH 81 30.764 15.252 -11.065 1.00 44.44 O HETATM 1175 O HOH 82 10.563 24.353 5.892 1.00 47.15 O HETATM 1176 O HOH 83 1.186 22.308 0.742 1.00 52.69 O HETATM 1177 O HOH 84 24.236 4.198 -9.887 1.00 29.82 O HETATM 1178 O HOH 85 8.890 10.736 -9.694 1.00 33.85 O HETATM 1179 O HOH 86 17.913 0.892 2.802 1.00 46.83 O HETATM 1180 O HOH 87 36.722 4.288 -4.065 1.00 40.14 O HETATM 1181 O HOH 88 25.986 16.754 -19.055 1.00 33.10 O HETATM 1182 O HOH 89 24.628 10.305 -19.896 1.00 47.59 O HETATM 1183 O HOH 90 17.712 20.558 0.462 1.00 36.34 O HETATM 1184 O HOH 91 15.276 25.939 -0.978 1.00 41.72 O HETATM 1185 O HOH 92 20.089 8.744 8.483 1.00 37.41 O HETATM 1186 O HOH 93 21.346 9.491 10.737 1.00 57.70 O HETATM 1187 O3 UNN A 94 16.195 -0.442 0.493 1.00 -0.57 O HETATM 1188 C21 UNN A 94 15.271 0.261 0.019 1.00 0.06 C HETATM 1189 O2 UNN A 94 14.649 0.045 -1.056 1.00 -0.57 O HETATM 1190 C20 UNN A 94 14.886 1.520 0.808 1.00 0.11 C HETATM 1191 C12 UNN A 94 15.907 2.612 0.472 1.00 0.06 C HETATM 1192 C13 UNN A 94 15.595 3.963 1.002 1.00 0.12 C HETATM 1193 N3 UNN A 94 14.758 4.818 0.445 1.00 -0.32 N HETATM 1194 C15 UNN A 94 14.749 5.925 1.298 1.00 0.02 C HETATM 1195 C19 UNN A 94 14.016 7.112 1.248 1.00 -0.07 C HETATM 1196 C18 UNN A 94 14.188 8.063 2.245 1.00 -0.04 C HETATM 1197 C17 UNN A 94 15.087 7.803 3.259 1.00 0.12 C HETATM 1198 F1 UNN A 94 15.217 8.715 4.262 1.00 -0.19 F HETATM 1199 C16 UNN A 94 15.823 6.639 3.352 1.00 -0.01 C HETATM 1200 C14 UNN A 94 15.624 5.695 2.359 1.00 0.08 C HETATM 1201 N2 UNN A 94 16.124 4.425 2.154 1.00 -0.25 N HETATM 1202 H UNN A 94 16.781 3.922 2.768 1.00 0.23 H HETATM 1203 H UNN A 94 16.523 6.472 4.163 1.00 0.05 H HETATM 1204 H UNN A 94 13.627 8.991 2.227 1.00 0.05 H HETATM 1205 H UNN A 94 13.318 7.290 0.438 1.00 0.05 H HETATM 1206 H UNN A 94 15.977 2.685 -0.623 1.00 0.06 H HETATM 1207 H UNN A 94 16.880 2.304 0.882 1.00 0.06 H HETATM 1208 N1 UNN A 94 13.522 1.939 0.501 1.00 -0.27 N HETATM 1209 C1 UNN A 94 12.739 2.501 1.434 1.00 0.21 C HETATM 1210 O1 UNN A 94 13.102 2.604 2.606 1.00 -0.38 O HETATM 1211 C2 UNN A 94 11.434 3.085 0.975 1.00 0.05 C HETATM 1212 C7 UNN A 94 10.823 4.030 1.804 1.00 -0.04 C HETATM 1213 C6 UNN A 94 9.664 4.646 1.432 1.00 -0.05 C HETATM 1214 C5 UNN A 94 9.056 4.367 0.189 1.00 -0.02 C HETATM 1215 C11 UNN A 94 7.897 5.044 -0.266 1.00 -0.05 C HETATM 1216 C10 UNN A 94 7.369 4.771 -1.491 1.00 -0.06 C HETATM 1217 C9 UNN A 94 7.950 3.822 -2.315 1.00 -0.06 C HETATM 1218 C8 UNN A 94 9.067 3.144 -1.916 1.00 -0.05 C HETATM 1219 C4 UNN A 94 9.656 3.402 -0.656 1.00 -0.01 C HETATM 1220 C3 UNN A 94 10.846 2.766 -0.229 1.00 -0.03 C HETATM 1221 H UNN A 94 11.303 2.014 -0.861 1.00 0.07 H HETATM 1222 H UNN A 94 9.506 2.401 -2.572 1.00 0.06 H HETATM 1223 H UNN A 94 7.514 3.615 -3.286 1.00 0.06 H HETATM 1224 H UNN A 94 6.485 5.302 -1.825 1.00 0.06 H HETATM 1225 H UNN A 94 7.426 5.787 0.368 1.00 0.06 H HETATM 1226 H UNN A 94 9.202 5.362 2.102 1.00 0.06 H HETATM 1227 H UNN A 94 11.277 4.277 2.757 1.00 0.07 H HETATM 1228 H UNN A 94 13.164 1.804 -0.423 1.00 0.19 H HETATM 1229 H UNN A 94 14.943 1.299 1.884 1.00 0.08 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1187 1188 CONECT 1188 1187 1189 1190 CONECT 1189 1188 CONECT 1190 1188 1191 1208 1229 CONECT 1191 1190 1192 1206 1207 CONECT 1192 1191 1193 1201 CONECT 1193 1192 1194 CONECT 1194 1193 1195 1200 CONECT 1195 1194 1196 1205 CONECT 1196 1195 1197 1204 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1197 1200 1203 CONECT 1200 1194 1199 1201 CONECT 1201 1192 1200 1202 CONECT 1202 1201 CONECT 1203 1199 CONECT 1204 1196 CONECT 1205 1195 CONECT 1206 1191 CONECT 1207 1191 CONECT 1208 1190 1209 1228 CONECT 1209 1208 1210 1211 CONECT 1210 1209 CONECT 1211 1209 1212 1220 CONECT 1212 1211 1213 1227 CONECT 1213 1212 1214 1226 CONECT 1214 1213 1215 1219 CONECT 1215 1214 1216 1225 CONECT 1216 1215 1217 1224 CONECT 1217 1216 1218 1223 CONECT 1218 1217 1219 1222 CONECT 1219 1214 1218 1220 CONECT 1220 1211 1219 1221 CONECT 1221 1220 CONECT 1222 1218 CONECT 1223 1217 CONECT 1224 1216 CONECT 1225 1215 CONECT 1226 1213 CONECT 1227 1212 CONECT 1228 1208 CONECT 1229 1190 MASTER 0 0 0 0 0 0 0 0 1228 1 47 9 END
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Related entries of code: 4tyo
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167aa, >1F8A_1|Chain... *
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167aa, >2ITK_1|Chain... at 99%
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2xp5
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2xp6
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PDBbind
167aa, >2XP6_1|Chain... at 98%
2xp7
RCSB PDB
PDBbind
167aa, >2XP7_1|Chain... at 99%
2xp8
RCSB PDB
PDBbind
167aa, >2XP8_1|Chain... at 99%
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PDBbind
167aa, >2XPA_1|Chain... at 99%
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PDBbind
167aa, >2XPB_1|Chain... at 99%
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PDBbind
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3ikd
RCSB PDB
PDBbind
123aa, >3IKD_1|Chains... at 95%
3ikg
RCSB PDB
PDBbind
123aa, >3IKG_1|Chains... at 95%
3jyj
RCSB PDB
PDBbind
123aa, >3JYJ_1|Chains... at 95%
3kab
RCSB PDB
PDBbind
167aa, >3KAB_1|Chain... at 99%
3kac
RCSB PDB
PDBbind
123aa, >3KAC_1|Chains... at 96%
3kad
RCSB PDB
PDBbind
167aa, >3KAD_1|Chain... at 98%
3kaf
RCSB PDB
PDBbind
167aa, >3KAF_1|Chain... at 98%
3kag
RCSB PDB
PDBbind
167aa, >3KAG_1|Chain... at 99%
3kah
RCSB PDB
PDBbind
167aa, >3KAH_1|Chain... at 99%
3kai
RCSB PDB
PDBbind
167aa, >3KAI_1|Chain... at 99%
3kce
RCSB PDB
PDBbind
167aa, >3KCE_1|Chain... at 99%
3ntp
RCSB PDB
PDBbind
167aa, >3NTP_1|Chain... at 99%
3odk
RCSB PDB
PDBbind
167aa, >3ODK_1|Chain... at 99%
3oob
RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4tyo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Pin1
Ligand Name
39X
EC.Number
E.C.5.2.1.8
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Ki=0.08uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Bioorg.Med.Chem.Lett. Vol. 24: pp. 4187-4191
Ligand Properties
Formula
C
2
1
H
1
6
FN
3
O
3
Molecular Weight
377.368
Exact Mass
377.118
No. of atoms
44
No. of bonds
47
Polar Surface Area
95.08
LOGP Value
4.62 (
Computed with XLOGP3
)
3.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
Fc1ccc2c(c1)[nH]c(n2)C[C@H](C(=O)O)NC(=O)c1ccc2c(c1)cccc2
InChI String
InChI=1S/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/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):
Q13526
Entrez Gene ID
NCBI Entrez Gene ID:
5300
ASD
Information of known allosteric effects of PDB entries
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