Browse entries in the PDBbind-CN Database
HEADER 5D7E_COMPLEX COMPND 5D7E_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 140 LEU GLY SER MET VAL ALA THR VAL LYS ARG THR ILE ARG SEQRES 2 A 140 ILE LYS THR GLN GLN HIS ILE LEU PRO GLU VAL PRO PRO SEQRES 3 A 140 VAL GLU ASN PHE PRO VAL ARG GLN TRP SER ILE GLU ILE SEQRES 4 A 140 VAL LEU LEU ASP ASP GLU GLY LYS GLU ILE PRO ALA THR SEQRES 5 A 140 ILE PHE ASP LYS VAL ILE TYR HIS LEU HIS PRO THR PHE SEQRES 6 A 140 ALA ASN PRO ASN ARG THR PHE THR ASP PRO PRO PHE ARG SEQRES 7 A 140 ILE GLU GLU GLN GLY TRP GLY GLY PHE PRO LEU ASP ILE SEQRES 8 A 140 SER VAL PHE LEU LEU GLU LYS ALA GLY GLU ARG LYS ILE SEQRES 9 A 140 PRO HIS ASP LEU ASN PHE LEU GLN GLU SER TYR GLU VAL SEQRES 10 A 140 GLU HIS VAL ILE GLN ILE PRO LEU ASN LYS PRO LEU LEU SEQRES 11 A 140 THR GLU GLU LEU ALA LYS SER GLY SER THR HET ALA A 208 123 ATOM 1 N LEU A -2 45.411 -10.566 -13.910 1.00 76.32 N ATOM 2 CA LEU A -2 45.462 -9.996 -12.564 1.00 74.41 C ATOM 3 C LEU A -2 46.821 -10.229 -11.881 1.00 68.80 C ATOM 4 O LEU A -2 47.347 -9.321 -11.237 1.00 65.11 O ATOM 5 CB LEU A -2 44.326 -10.558 -11.699 1.00 76.67 C ATOM 6 CG LEU A -2 43.010 -9.772 -11.664 1.00 79.33 C ATOM 7 CD1 LEU A -2 42.082 -10.152 -12.817 1.00 84.29 C ATOM 8 CD2 LEU A -2 42.312 -9.931 -10.318 1.00 77.42 C ATOM 9 HN3 LEU A -2 45.573 -11.592 -13.857 1.00 0.00 H ATOM 10 HN2 LEU A -2 46.147 -10.127 -14.499 1.00 0.00 H ATOM 11 HN1 LEU A -2 44.476 -10.383 -14.328 1.00 0.00 H ATOM 12 N GLY A -1 47.374 -11.438 -12.021 1.00 63.56 N ATOM 13 CA GLY A -1 48.721 -11.765 -11.557 1.00 59.16 C ATOM 14 C GLY A -1 49.135 -11.346 -10.149 1.00 58.07 C ATOM 15 O GLY A -1 48.640 -11.878 -9.155 1.00 56.17 O ATOM 16 H GLY A -1 46.817 -12.184 -12.484 1.00 0.00 H ATOM 17 N SER A 0 50.061 -10.393 -10.060 1.00 57.21 N ATOM 18 CA SER A 0 50.535 -9.912 -8.764 1.00 55.76 C ATOM 19 C SER A 0 49.436 -9.145 -8.020 1.00 54.59 C ATOM 20 O SER A 0 49.447 -9.076 -6.788 1.00 52.77 O ATOM 21 CB SER A 0 51.780 -9.028 -8.933 1.00 55.75 C ATOM 22 OG SER A 0 51.451 -7.753 -9.468 1.00 54.74 O ATOM 23 HG SER A 0 52.276 -7.213 -9.562 1.00 0.00 H ATOM 24 H SER A 0 50.455 -9.983 -10.931 1.00 0.00 H ATOM 25 N MET A 1 48.488 -8.578 -8.769 1.00 57.58 N ATOM 26 CA MET A 1 47.394 -7.800 -8.180 1.00 57.24 C ATOM 27 C MET A 1 46.426 -8.673 -7.374 1.00 55.25 C ATOM 28 O MET A 1 45.626 -8.161 -6.587 1.00 52.49 O ATOM 29 CB MET A 1 46.628 -7.035 -9.267 1.00 60.91 C ATOM 30 CG MET A 1 47.461 -5.989 -9.995 1.00 64.32 C ATOM 31 SD MET A 1 46.479 -4.588 -10.583 1.00101.53 S ATOM 32 CE MET A 1 47.773 -3.389 -10.910 1.00 85.63 C ATOM 33 H MET A 1 48.527 -8.692 -9.802 1.00 0.00 H ATOM 34 N VAL A 2 46.509 -9.989 -7.569 1.00 54.59 N ATOM 35 CA VAL A 2 45.703 -10.934 -6.806 1.00 55.08 C ATOM 36 C VAL A 2 46.013 -10.847 -5.291 1.00 51.59 C ATOM 37 O VAL A 2 45.103 -10.942 -4.470 1.00 55.03 O ATOM 38 CB VAL A 2 45.916 -12.382 -7.334 1.00 62.89 C ATOM 39 CG1 VAL A 2 45.185 -13.402 -6.476 1.00 65.58 C ATOM 40 CG2 VAL A 2 45.460 -12.488 -8.788 1.00 63.23 C ATOM 41 H VAL A 2 47.168 -10.352 -8.287 1.00 0.00 H ATOM 42 N ALA A 3 47.278 -10.614 -4.931 1.00 41.35 N ATOM 43 CA ALA A 3 47.704 -10.580 -3.523 1.00 34.05 C ATOM 44 C ALA A 3 47.519 -9.208 -2.857 1.00 31.54 C ATOM 45 O ALA A 3 48.442 -8.676 -2.221 1.00 29.71 O ATOM 46 CB ALA A 3 49.146 -11.007 -3.416 1.00 35.53 C ATOM 47 H ALA A 3 47.988 -10.451 -5.673 1.00 0.00 H ATOM 48 N THR A 4 46.327 -8.636 -2.996 1.00 27.45 N ATOM 49 CA THR A 4 46.009 -7.361 -2.374 1.00 28.98 C ATOM 50 C THR A 4 44.623 -7.397 -1.727 1.00 30.59 C ATOM 51 O THR A 4 43.837 -8.299 -2.012 1.00 32.99 O ATOM 52 CB THR A 4 46.042 -6.210 -3.409 1.00 35.23 C ATOM 53 OG1 THR A 4 45.114 -6.504 -4.458 1.00 35.37 O ATOM 54 CG2 THR A 4 47.442 -6.054 -4.008 1.00 34.38 C ATOM 55 HG1 THR A 4 45.370 -7.355 -4.894 1.00 0.00 H ATOM 56 H THR A 4 45.601 -9.115 -3.566 1.00 0.00 H ATOM 57 N VAL A 5 44.326 -6.425 -0.860 1.00 26.71 N ATOM 58 CA VAL A 5 42.945 -6.196 -0.424 1.00 26.14 C ATOM 59 C VAL A 5 42.539 -4.772 -0.777 1.00 27.13 C ATOM 60 O VAL A 5 43.387 -3.898 -0.934 1.00 26.61 O ATOM 61 CB VAL A 5 42.725 -6.392 1.106 1.00 34.77 C ATOM 62 CG1 VAL A 5 42.843 -7.864 1.499 1.00 43.35 C ATOM 63 CG2 VAL A 5 43.682 -5.522 1.904 1.00 31.46 C ATOM 64 H VAL A 5 45.087 -5.821 -0.488 1.00 0.00 H ATOM 65 N LYS A 6 41.240 -4.533 -0.887 1.00 28.24 N ATOM 66 CA LYS A 6 40.768 -3.178 -1.143 1.00 27.15 C ATOM 67 C LYS A 6 40.282 -2.515 0.148 1.00 31.82 C ATOM 68 O LYS A 6 39.680 -3.163 0.998 1.00 31.34 O ATOM 69 CB LYS A 6 39.662 -3.184 -2.193 1.00 30.99 C ATOM 70 CG LYS A 6 40.135 -3.634 -3.559 1.00 40.08 C ATOM 71 CD LYS A 6 38.996 -3.586 -4.578 1.00 49.18 C ATOM 72 CE LYS A 6 39.442 -4.138 -5.929 1.00 54.46 C ATOM 73 NZ LYS A 6 38.627 -3.577 -7.041 1.00 57.76 N ATOM 74 HZ1 LYS A 6 37.628 -3.825 -6.896 1.00 0.00 H ATOM 75 HZ2 LYS A 6 38.730 -2.542 -7.057 1.00 0.00 H ATOM 76 HZ3 LYS A 6 38.956 -3.973 -7.945 1.00 0.00 H ATOM 77 H LYS A 6 40.558 -5.312 -0.791 1.00 0.00 H ATOM 78 N ARG A 7 40.562 -1.221 0.285 1.00 24.72 N ATOM 79 CA ARG A 7 40.017 -0.431 1.385 1.00 24.62 C ATOM 80 C ARG A 7 39.490 0.867 0.820 1.00 26.43 C ATOM 81 O ARG A 7 40.001 1.340 -0.194 1.00 26.92 O ATOM 82 CB ARG A 7 41.093 -0.133 2.452 1.00 24.43 C ATOM 83 CG ARG A 7 41.495 -1.342 3.302 1.00 25.21 C ATOM 84 CD ARG A 7 40.352 -1.768 4.231 1.00 25.67 C ATOM 85 NE ARG A 7 40.775 -2.782 5.199 1.00 30.70 N ATOM 86 CZ ARG A 7 40.706 -4.085 4.961 1.00 33.39 C ATOM 87 NH1 ARG A 7 40.229 -4.506 3.794 1.00 36.51 N ATOM 88 NH2 ARG A 7 41.092 -4.965 5.878 1.00 31.12 N ATOM 89 HE ARG A 7 41.147 -2.465 6.117 1.00 0.00 H ATOM 90 HH12 ARG A 7 40.169 -5.525 3.594 1.00 0.00 H ATOM 91 HH11 ARG A 7 39.916 -3.817 3.081 1.00 0.00 H ATOM 92 HH22 ARG A 7 41.033 -5.984 5.678 1.00 0.00 H ATOM 93 HH21 ARG A 7 41.454 -4.635 6.796 1.00 0.00 H ATOM 94 H ARG A 7 41.185 -0.761 -0.409 1.00 0.00 H ATOM 95 N THR A 8 38.497 1.447 1.487 1.00 24.83 N ATOM 96 CA THR A 8 37.948 2.720 1.076 1.00 25.67 C ATOM 97 C THR A 8 38.444 3.804 2.019 1.00 24.69 C ATOM 98 O THR A 8 38.285 3.713 3.246 1.00 28.61 O ATOM 99 CB THR A 8 36.414 2.714 1.083 1.00 29.28 C ATOM 100 OG1 THR A 8 35.941 1.741 0.152 1.00 32.45 O ATOM 101 CG2 THR A 8 35.885 4.074 0.692 1.00 28.50 C ATOM 102 HG1 THR A 8 34.951 1.736 0.156 1.00 0.00 H ATOM 103 H THR A 8 38.105 0.973 2.326 1.00 0.00 H ATOM 104 N ILE A 9 39.060 4.833 1.459 1.00 21.73 N ATOM 105 CA ILE A 9 39.428 5.953 2.307 1.00 20.73 C ATOM 106 C ILE A 9 38.506 7.127 1.968 1.00 23.35 C ATOM 107 O ILE A 9 37.984 7.222 0.855 1.00 25.57 O ATOM 108 CB ILE A 9 40.895 6.330 2.152 1.00 26.09 C ATOM 109 CG1 ILE A 9 41.190 6.688 0.723 1.00 28.68 C ATOM 110 CG2 ILE A 9 41.846 5.139 2.580 1.00 23.48 C ATOM 111 CD1 ILE A 9 42.389 7.568 0.648 1.00 33.86 C ATOM 112 H ILE A 9 39.274 4.839 0.441 1.00 0.00 H ATOM 113 N ARG A 10 38.281 7.991 2.945 1.00 21.29 N ATOM 114 CA ARG A 10 37.395 9.129 2.750 1.00 21.96 C ATOM 115 C ARG A 10 38.204 10.415 2.922 1.00 25.57 C ATOM 116 O ARG A 10 38.830 10.607 3.950 1.00 22.33 O ATOM 117 CB ARG A 10 36.233 9.060 3.739 1.00 25.20 C ATOM 118 CG ARG A 10 35.266 10.229 3.647 1.00 27.84 C ATOM 119 CD ARG A 10 34.119 10.084 4.644 1.00 32.19 C ATOM 120 NE ARG A 10 33.163 9.059 4.244 1.00 30.34 N ATOM 121 CZ ARG A 10 32.283 8.502 5.069 1.00 35.42 C ATOM 122 NH1 ARG A 10 32.252 8.857 6.348 1.00 35.91 N ATOM 123 NH2 ARG A 10 31.443 7.579 4.619 1.00 36.64 N ATOM 124 HE ARG A 10 33.170 8.745 3.253 1.00 0.00 H ATOM 125 HH12 ARG A 10 31.563 8.420 6.992 1.00 0.00 H ATOM 126 HH11 ARG A 10 32.917 9.572 6.705 1.00 0.00 H ATOM 127 HH22 ARG A 10 30.754 7.143 5.265 1.00 0.00 H ATOM 128 HH21 ARG A 10 31.473 7.291 3.620 1.00 0.00 H ATOM 129 H ARG A 10 38.744 7.855 3.866 1.00 0.00 H ATOM 130 N ILE A 11 38.211 11.261 1.898 1.00 22.76 N ATOM 131 CA ILE A 11 38.864 12.568 1.972 1.00 19.72 C ATOM 132 C ILE A 11 37.810 13.586 2.389 1.00 23.45 C ATOM 133 O ILE A 11 36.757 13.664 1.758 1.00 23.53 O ATOM 134 CB ILE A 11 39.485 12.937 0.623 1.00 19.89 C ATOM 135 CG1 ILE A 11 40.405 11.790 0.165 1.00 25.81 C ATOM 136 CG2 ILE A 11 40.278 14.217 0.728 1.00 19.81 C ATOM 137 CD1 ILE A 11 41.008 12.007 -1.161 1.00 32.52 C ATOM 138 H ILE A 11 37.737 10.985 1.015 1.00 0.00 H ATOM 139 N LYS A 12 38.089 14.344 3.449 1.00 21.44 N ATOM 140 CA LYS A 12 37.128 15.305 3.987 1.00 23.67 C ATOM 141 C LYS A 12 37.680 16.702 3.814 1.00 23.43 C ATOM 142 O LYS A 12 38.790 16.987 4.245 1.00 20.60 O ATOM 143 CB LYS A 12 36.843 15.010 5.465 1.00 28.74 C ATOM 144 CG LYS A 12 36.348 13.574 5.707 1.00 33.49 C ATOM 145 CD LYS A 12 36.509 13.122 7.164 1.00 35.11 C ATOM 146 CE LYS A 12 35.551 13.794 8.097 1.00 39.99 C ATOM 147 NZ LYS A 12 35.615 13.158 9.452 1.00 42.78 N ATOM 148 HZ1 LYS A 12 35.365 12.152 9.373 1.00 0.00 H ATOM 149 HZ2 LYS A 12 36.579 13.248 9.831 1.00 0.00 H ATOM 150 HZ3 LYS A 12 34.945 13.634 10.089 1.00 0.00 H ATOM 151 H LYS A 12 39.018 14.249 3.907 1.00 0.00 H ATOM 152 N THR A 13 36.896 17.571 3.184 1.00 22.97 N ATOM 153 CA THR A 13 37.342 18.918 2.863 1.00 22.94 C ATOM 154 C THR A 13 36.364 19.905 3.480 1.00 25.94 C ATOM 155 O THR A 13 35.168 19.629 3.485 1.00 23.61 O ATOM 156 CB THR A 13 37.403 19.122 1.339 1.00 22.67 C ATOM 157 OG1 THR A 13 38.219 18.094 0.760 1.00 23.08 O ATOM 158 CG2 THR A 13 37.964 20.490 0.993 1.00 22.43 C ATOM 159 HG1 THR A 13 37.825 17.209 0.963 1.00 0.00 H ATOM 160 H THR A 13 35.935 17.279 2.913 1.00 0.00 H ATOM 161 N GLN A 14 36.879 21.011 4.023 1.00 22.46 N ATOM 162 CA GLN A 14 36.046 22.116 4.504 1.00 24.73 C ATOM 163 C GLN A 14 36.654 23.423 4.053 1.00 27.02 C ATOM 164 O GLN A 14 37.870 23.498 3.887 1.00 22.56 O ATOM 165 CB GLN A 14 35.934 22.112 6.027 1.00 33.42 C ATOM 166 CG GLN A 14 35.440 20.802 6.605 1.00 44.90 C ATOM 167 CD GLN A 14 35.110 20.911 8.081 1.00 56.10 C ATOM 168 OE1 GLN A 14 35.645 21.767 8.787 1.00 60.56 O ATOM 169 NE2 GLN A 14 34.216 20.048 8.553 1.00 61.79 N ATOM 170 HE22 GLN A 14 33.790 19.342 7.919 1.00 0.00 H ATOM 171 HE21 GLN A 14 33.943 20.079 9.556 1.00 0.00 H ATOM 172 H GLN A 14 37.912 21.091 4.108 1.00 0.00 H ATOM 173 N GLN A 15 35.829 24.467 3.893 1.00 24.36 N ATOM 174 CA GLN A 15 36.365 25.755 3.492 1.00 24.36 C ATOM 175 C GLN A 15 35.409 26.877 3.888 1.00 27.60 C ATOM 176 O GLN A 15 34.202 26.680 3.906 1.00 26.62 O ATOM 177 CB GLN A 15 36.620 25.791 1.984 1.00 23.81 C ATOM 178 CG GLN A 15 35.356 25.540 1.113 1.00 25.98 C ATOM 179 CD GLN A 15 34.538 26.794 0.831 1.00 29.04 C ATOM 180 OE1 GLN A 15 34.977 27.921 1.090 1.00 28.84 O ATOM 181 NE2 GLN A 15 33.330 26.601 0.303 1.00 31.39 N ATOM 182 HE22 GLN A 15 32.999 25.636 0.100 1.00 0.00 H ATOM 183 HE21 GLN A 15 32.718 27.415 0.093 1.00 0.00 H ATOM 184 H GLN A 15 34.808 24.355 4.056 1.00 0.00 H ATOM 185 N HIS A 16 35.961 28.044 4.207 1.00 26.10 N ATOM 186 CA HIS A 16 35.119 29.220 4.436 1.00 27.45 C ATOM 187 C HIS A 16 35.872 30.498 4.104 1.00 27.91 C ATOM 188 O HIS A 16 37.096 30.539 4.213 1.00 27.12 O ATOM 189 CB HIS A 16 34.619 29.252 5.881 1.00 28.76 C ATOM 190 CG HIS A 16 35.710 29.268 6.904 1.00 44.95 C ATOM 191 ND1 HIS A 16 36.110 30.418 7.551 1.00 51.02 N ATOM 192 CD2 HIS A 16 36.485 28.272 7.395 1.00 46.72 C ATOM 193 CE1 HIS A 16 37.084 30.130 8.396 1.00 50.82 C ATOM 194 NE2 HIS A 16 37.335 28.835 8.317 1.00 48.49 N ATOM 195 H HIS A 16 36.994 28.122 4.294 1.00 0.00 H ATOM 196 N ILE A 17 35.138 31.546 3.715 1.00 28.57 N ATOM 197 CA ILE A 17 35.771 32.828 3.373 1.00 29.02 C ATOM 198 C ILE A 17 36.431 33.466 4.593 1.00 30.81 C ATOM 199 O ILE A 17 35.891 33.398 5.698 1.00 31.28 O ATOM 200 CB ILE A 17 34.754 33.831 2.783 1.00 31.88 C ATOM 201 CG1 ILE A 17 34.221 33.320 1.444 1.00 29.56 C ATOM 202 CG2 ILE A 17 35.376 35.232 2.635 1.00 31.68 C ATOM 203 CD1 ILE A 17 33.165 34.216 0.822 1.00 30.86 C ATOM 204 H ILE A 17 34.104 31.453 3.654 1.00 0.00 H ATOM 205 N LEU A 18 37.610 34.059 4.394 1.00 32.11 N ATOM 206 CA LEU A 18 38.241 34.906 5.406 1.00 31.32 C ATOM 207 C LEU A 18 38.004 36.388 5.069 1.00 33.64 C ATOM 208 O LEU A 18 38.721 36.959 4.251 1.00 34.90 O ATOM 209 CB LEU A 18 39.744 34.618 5.497 1.00 31.02 C ATOM 210 CG LEU A 18 40.198 33.215 5.888 1.00 29.88 C ATOM 211 CD1 LEU A 18 41.699 33.051 5.709 1.00 32.59 C ATOM 212 CD2 LEU A 18 39.806 32.908 7.334 1.00 31.02 C ATOM 213 H LEU A 18 38.098 33.914 3.487 1.00 0.00 H ATOM 214 N PRO A 19 36.993 37.025 5.690 1.00 36.78 N ATOM 215 CA PRO A 19 36.718 38.424 5.322 1.00 36.40 C ATOM 216 C PRO A 19 37.881 39.397 5.600 1.00 37.27 C ATOM 217 O PRO A 19 37.953 40.439 4.941 1.00 37.21 O ATOM 218 CB PRO A 19 35.485 38.787 6.180 1.00 40.06 C ATOM 219 CG PRO A 19 34.853 37.469 6.531 1.00 40.76 C ATOM 220 CD PRO A 19 36.010 36.495 6.650 1.00 41.03 C ATOM 221 N GLU A 20 38.781 39.066 6.529 1.00 37.36 N ATOM 222 CA GLU A 20 39.846 40.010 6.894 1.00 42.32 C ATOM 223 C GLU A 20 40.968 40.040 5.854 1.00 41.81 C ATOM 224 O GLU A 20 41.855 40.893 5.903 1.00 43.94 O ATOM 225 CB GLU A 20 40.424 39.675 8.276 1.00 42.91 C ATOM 226 CG GLU A 20 41.196 38.364 8.388 1.00 44.39 C ATOM 227 CD GLU A 20 40.301 37.163 8.702 1.00 48.86 C ATOM 228 OE1 GLU A 20 39.062 37.252 8.514 1.00 50.09 O ATOM 229 OE2 GLU A 20 40.840 36.129 9.150 1.00 48.22 O ATOM 230 H GLU A 20 38.728 38.138 6.995 1.00 0.00 H ATOM 231 N VAL A 21 40.906 39.107 4.911 1.00 38.33 N ATOM 232 CA VAL A 21 41.892 38.993 3.845 1.00 36.42 C ATOM 233 C VAL A 21 41.358 39.675 2.592 1.00 35.79 C ATOM 234 O VAL A 21 40.277 39.329 2.109 1.00 40.98 O ATOM 235 CB VAL A 21 42.215 37.515 3.544 1.00 38.92 C ATOM 236 CG1 VAL A 21 43.353 37.408 2.537 1.00 41.99 C ATOM 237 CG2 VAL A 21 42.570 36.759 4.822 1.00 40.37 C ATOM 238 H VAL A 21 40.119 38.428 4.935 1.00 0.00 H ATOM 239 N PRO A 22 42.099 40.659 2.057 1.00 37.30 N ATOM 240 CA PRO A 22 41.613 41.342 0.858 1.00 37.68 C ATOM 241 C PRO A 22 41.401 40.374 -0.303 1.00 36.16 C ATOM 242 O PRO A 22 42.265 39.539 -0.584 1.00 35.53 O ATOM 243 CB PRO A 22 42.732 42.347 0.544 1.00 48.87 C ATOM 244 CG PRO A 22 43.457 42.537 1.829 1.00 45.71 C ATOM 245 CD PRO A 22 43.392 41.197 2.511 1.00 44.56 C ATOM 246 N PRO A 23 40.235 40.455 -0.950 1.00 35.77 N ATOM 247 CA PRO A 23 40.001 39.639 -2.144 1.00 39.70 C ATOM 248 C PRO A 23 41.086 39.845 -3.202 1.00 35.85 C ATOM 249 O PRO A 23 41.636 40.953 -3.325 1.00 38.31 O ATOM 250 CB PRO A 23 38.646 40.148 -2.655 1.00 40.10 C ATOM 251 CG PRO A 23 37.960 40.671 -1.436 1.00 43.43 C ATOM 252 CD PRO A 23 39.060 41.279 -0.598 1.00 45.57 C ATOM 253 N VAL A 24 41.372 38.790 -3.946 1.00 35.02 N ATOM 254 CA VAL A 24 42.305 38.845 -5.066 1.00 41.35 C ATOM 255 C VAL A 24 41.484 38.948 -6.347 1.00 37.27 C ATOM 256 O VAL A 24 40.790 38.000 -6.712 1.00 39.25 O ATOM 257 CB VAL A 24 43.219 37.608 -5.115 1.00 40.93 C ATOM 258 CG1 VAL A 24 44.193 37.696 -6.279 1.00 46.18 C ATOM 259 CG2 VAL A 24 43.988 37.448 -3.810 1.00 41.72 C ATOM 260 H VAL A 24 40.913 37.884 -3.724 1.00 0.00 H ATOM 261 N GLU A 25 41.554 40.101 -7.004 1.00 38.74 N ATOM 262 CA GLU A 25 40.761 40.376 -8.203 1.00 44.59 C ATOM 263 C GLU A 25 39.278 40.158 -7.920 1.00 42.63 C ATOM 264 O GLU A 25 38.569 39.552 -8.716 1.00 46.75 O ATOM 265 CB GLU A 25 41.230 39.511 -9.378 1.00 45.22 C ATOM 266 CG GLU A 25 42.663 39.829 -9.803 1.00 51.26 C ATOM 267 CD GLU A 25 43.092 39.049 -11.028 1.00 59.68 C ATOM 268 OE1 GLU A 25 42.208 38.526 -11.739 1.00 64.83 O ATOM 269 OE2 GLU A 25 44.309 38.961 -11.282 1.00 61.95 O ATOM 270 H GLU A 25 42.198 40.838 -6.652 1.00 0.00 H ATOM 271 N ASN A 26 38.842 40.674 -6.769 1.00 38.77 N ATOM 272 CA ASN A 26 37.467 40.568 -6.264 1.00 40.80 C ATOM 273 C ASN A 26 37.053 39.141 -5.876 1.00 38.05 C ATOM 274 O ASN A 26 35.891 38.910 -5.555 1.00 40.84 O ATOM 275 CB ASN A 26 36.469 41.142 -7.281 1.00 40.61 C ATOM 276 CG ASN A 26 36.532 42.640 -7.368 1.00 47.50 C ATOM 277 OD1 ASN A 26 36.865 43.323 -6.398 1.00 46.43 O ATOM 278 ND2 ASN A 26 36.203 43.172 -8.536 1.00 59.24 N ATOM 279 HD22 ASN A 26 35.928 42.557 -9.328 1.00 0.00 H ATOM 280 HD21 ASN A 26 36.220 44.204 -8.660 1.00 0.00 H ATOM 281 H ASN A 26 39.529 41.191 -6.184 1.00 0.00 H ATOM 282 N PHE A 27 37.999 38.200 -5.881 1.00 34.59 N ATOM 283 CA PHE A 27 37.739 36.850 -5.391 1.00 35.74 C ATOM 284 C PHE A 27 38.134 36.733 -3.933 1.00 36.53 C ATOM 285 O PHE A 27 39.282 36.984 -3.583 1.00 37.63 O ATOM 286 CB PHE A 27 38.504 35.803 -6.211 1.00 38.53 C ATOM 287 CG PHE A 27 37.905 35.543 -7.563 1.00 47.21 C ATOM 288 CD1 PHE A 27 36.999 34.511 -7.745 1.00 47.49 C ATOM 289 CD2 PHE A 27 38.224 36.343 -8.647 1.00 53.33 C ATOM 290 CE1 PHE A 27 36.428 34.281 -8.985 1.00 48.81 C ATOM 291 CE2 PHE A 27 37.654 36.114 -9.886 1.00 55.33 C ATOM 292 CZ PHE A 27 36.760 35.080 -10.053 1.00 53.01 C ATOM 293 H PHE A 27 38.945 38.434 -6.243 1.00 0.00 H ATOM 294 N PRO A 28 37.199 36.298 -3.082 1.00 36.17 N ATOM 295 CA PRO A 28 37.530 36.175 -1.660 1.00 33.53 C ATOM 296 C PRO A 28 38.593 35.103 -1.386 1.00 32.28 C ATOM 297 O PRO A 28 38.675 34.070 -2.078 1.00 29.37 O ATOM 298 CB PRO A 28 36.189 35.793 -1.026 1.00 34.29 C ATOM 299 CG PRO A 28 35.481 35.027 -2.125 1.00 33.59 C ATOM 300 CD PRO A 28 35.833 35.819 -3.375 1.00 34.18 C ATOM 301 N VAL A 29 39.424 35.345 -0.381 1.00 29.80 N ATOM 302 CA VAL A 29 40.373 34.327 0.029 1.00 28.88 C ATOM 303 C VAL A 29 39.667 33.511 1.093 1.00 28.10 C ATOM 304 O VAL A 29 38.960 34.071 1.955 1.00 28.79 O ATOM 305 CB VAL A 29 41.697 34.928 0.555 1.00 35.82 C ATOM 306 CG1 VAL A 29 42.548 33.865 1.252 1.00 29.00 C ATOM 307 CG2 VAL A 29 42.467 35.594 -0.586 1.00 30.84 C ATOM 308 H VAL A 29 39.395 36.261 0.111 1.00 0.00 H ATOM 309 N ARG A 30 39.809 32.191 0.973 1.00 26.89 N ATOM 310 CA ARG A 30 39.166 31.233 1.861 1.00 26.26 C ATOM 311 C ARG A 30 40.205 30.441 2.636 1.00 26.24 C ATOM 312 O ARG A 30 41.310 30.231 2.138 1.00 25.60 O ATOM 313 CB ARG A 30 38.282 30.270 1.053 1.00 25.58 C ATOM 314 CG ARG A 30 37.178 30.967 0.257 1.00 26.37 C ATOM 315 CD ARG A 30 36.604 30.072 -0.813 1.00 26.08 C ATOM 316 NE ARG A 30 35.589 30.792 -1.574 1.00 27.14 N ATOM 317 CZ ARG A 30 34.304 30.839 -1.244 1.00 33.46 C ATOM 318 NH1 ARG A 30 33.868 30.172 -0.182 1.00 27.69 N ATOM 319 NH2 ARG A 30 33.455 31.556 -1.976 1.00 30.60 N ATOM 320 HE ARG A 30 35.891 31.301 -2.429 1.00 0.00 H ATOM 321 HH12 ARG A 30 32.862 30.208 0.078 1.00 0.00 H ATOM 322 HH11 ARG A 30 34.533 29.614 0.390 1.00 0.00 H ATOM 323 HH22 ARG A 30 32.448 31.593 -1.718 1.00 0.00 H ATOM 324 HH21 ARG A 30 33.798 32.079 -2.807 1.00 0.00 H ATOM 325 H ARG A 30 40.410 31.827 0.206 1.00 0.00 H ATOM 326 N GLN A 31 39.849 30.030 3.847 1.00 25.82 N ATOM 327 CA GLN A 31 40.633 29.065 4.604 1.00 26.46 C ATOM 328 C GLN A 31 40.081 27.708 4.234 1.00 24.20 C ATOM 329 O GLN A 31 38.873 27.528 4.196 1.00 24.37 O ATOM 330 CB GLN A 31 40.508 29.305 6.107 1.00 30.91 C ATOM 331 CG GLN A 31 41.243 28.284 6.976 1.00 38.63 C ATOM 332 CD GLN A 31 42.601 28.778 7.421 1.00 49.22 C ATOM 333 OE1 GLN A 31 43.033 29.860 7.038 1.00 52.45 O ATOM 334 NE2 GLN A 31 43.284 27.986 8.236 1.00 55.07 N ATOM 335 HE22 GLN A 31 42.880 27.076 8.536 1.00 0.00 H ATOM 336 HE21 GLN A 31 44.224 28.275 8.575 1.00 0.00 H ATOM 337 H GLN A 31 38.979 30.411 4.270 1.00 0.00 H ATOM 338 N TRP A 32 40.940 26.744 3.934 1.00 23.25 N ATOM 339 CA TRP A 32 40.401 25.426 3.657 1.00 22.39 C ATOM 340 C TRP A 32 41.266 24.370 4.319 1.00 21.82 C ATOM 341 O TRP A 32 42.408 24.640 4.664 1.00 21.99 O ATOM 342 CB TRP A 32 40.281 25.164 2.153 1.00 21.90 C ATOM 343 CG TRP A 32 41.508 25.401 1.313 1.00 21.75 C ATOM 344 CD1 TRP A 32 41.760 26.497 0.544 1.00 25.40 C ATOM 345 CD2 TRP A 32 42.619 24.498 1.102 1.00 23.81 C ATOM 346 NE1 TRP A 32 42.966 26.355 -0.108 1.00 25.08 N ATOM 347 CE2 TRP A 32 43.508 25.140 0.219 1.00 23.49 C ATOM 348 CE3 TRP A 32 42.946 23.219 1.587 1.00 21.36 C ATOM 349 CZ2 TRP A 32 44.692 24.552 -0.206 1.00 21.90 C ATOM 350 CZ3 TRP A 32 44.133 22.634 1.164 1.00 20.48 C ATOM 351 CH2 TRP A 32 44.996 23.313 0.277 1.00 20.71 C ATOM 352 HE1 TRP A 32 43.395 27.056 -0.745 1.00 0.00 H ATOM 353 H TRP A 32 41.963 26.926 3.899 1.00 0.00 H ATOM 354 N SER A 33 40.681 23.191 4.507 1.00 21.39 N ATOM 355 CA SER A 33 41.376 22.076 5.163 1.00 20.91 C ATOM 356 C SER A 33 41.018 20.791 4.462 1.00 21.06 C ATOM 357 O SER A 33 39.927 20.666 3.902 1.00 22.45 O ATOM 358 CB SER A 33 40.995 21.986 6.640 1.00 33.68 C ATOM 359 OG SER A 33 39.611 21.723 6.788 1.00 32.72 O ATOM 360 HG SER A 33 39.391 20.864 6.348 1.00 0.00 H ATOM 361 H SER A 33 39.703 23.054 4.180 1.00 0.00 H ATOM 362 N ILE A 34 41.943 19.829 4.494 1.00 19.44 N ATOM 363 CA ILE A 34 41.686 18.494 4.007 1.00 21.83 C ATOM 364 C ILE A 34 42.230 17.519 5.058 1.00 22.27 C ATOM 365 O ILE A 34 43.309 17.753 5.621 1.00 19.40 O ATOM 366 CB ILE A 34 42.360 18.222 2.648 1.00 19.64 C ATOM 367 CG1 ILE A 34 41.931 19.230 1.588 1.00 20.60 C ATOM 368 CG2 ILE A 34 42.074 16.795 2.165 1.00 17.96 C ATOM 369 CD1 ILE A 34 42.821 19.206 0.369 1.00 23.05 C ATOM 370 H ILE A 34 42.882 20.049 4.883 1.00 0.00 H ATOM 371 N GLU A 35 41.455 16.472 5.346 1.00 24.82 N ATOM 372 CA GLU A 35 41.886 15.384 6.237 1.00 21.68 C ATOM 373 C GLU A 35 41.553 14.074 5.564 1.00 21.45 C ATOM 374 O GLU A 35 40.694 14.032 4.678 1.00 20.54 O ATOM 375 CB GLU A 35 41.166 15.421 7.592 1.00 28.49 C ATOM 376 CG GLU A 35 40.912 16.771 8.189 1.00 41.48 C ATOM 377 CD GLU A 35 40.146 16.660 9.480 1.00 48.25 C ATOM 378 OE1 GLU A 35 39.280 15.764 9.572 1.00 49.48 O ATOM 379 OE2 GLU A 35 40.418 17.450 10.406 1.00 55.67 O ATOM 380 H GLU A 35 40.506 16.423 4.923 1.00 0.00 H ATOM 381 N ILE A 36 42.169 12.991 6.033 1.00 21.12 N ATOM 382 CA ILE A 36 41.926 11.683 5.447 1.00 21.45 C ATOM 383 C ILE A 36 41.589 10.690 6.544 1.00 22.61 C ATOM 384 O ILE A 36 42.299 10.616 7.554 1.00 18.86 O ATOM 385 CB ILE A 36 43.141 11.181 4.647 1.00 24.73 C ATOM 386 CG1 ILE A 36 43.465 12.167 3.508 1.00 24.02 C ATOM 387 CG2 ILE A 36 42.864 9.765 4.085 1.00 19.19 C ATOM 388 CD1 ILE A 36 44.788 11.873 2.816 1.00 28.57 C ATOM 389 H ILE A 36 42.832 13.082 6.829 1.00 0.00 H ATOM 390 N VAL A 37 40.508 9.934 6.346 1.00 20.22 N ATOM 391 CA VAL A 37 40.167 8.858 7.263 1.00 23.52 C ATOM 392 C VAL A 37 39.992 7.573 6.485 1.00 22.97 C ATOM 393 O VAL A 37 39.855 7.591 5.259 1.00 20.97 O ATOM 394 CB VAL A 37 38.871 9.136 8.079 1.00 27.30 C ATOM 395 CG1 VAL A 37 39.036 10.364 8.948 1.00 26.26 C ATOM 396 CG2 VAL A 37 37.622 9.246 7.165 1.00 23.13 C ATOM 397 H VAL A 37 39.899 10.117 5.523 1.00 0.00 H ATOM 398 N LEU A 38 40.038 6.455 7.202 1.00 22.60 N ATOM 399 CA LEU A 38 39.781 5.163 6.601 1.00 23.51 C ATOM 400 C LEU A 38 38.385 4.735 7.002 1.00 27.56 C ATOM 401 O LEU A 38 37.901 5.109 8.080 1.00 31.98 O ATOM 402 CB LEU A 38 40.853 4.160 7.060 1.00 26.82 C ATOM 403 CG LEU A 38 40.820 2.678 6.733 1.00 29.83 C ATOM 404 CD1 LEU A 38 40.893 2.422 5.243 1.00 27.76 C ATOM 405 CD2 LEU A 38 41.991 2.043 7.460 1.00 26.05 C ATOM 406 H LEU A 38 40.263 6.509 8.216 1.00 0.00 H ATOM 407 N LEU A 39 37.716 3.992 6.127 1.00 25.14 N ATOM 408 CA LEU A 39 36.439 3.385 6.493 1.00 30.60 C ATOM 409 C LEU A 39 36.631 1.913 6.796 1.00 31.42 C ATOM 410 O LEU A 39 37.454 1.245 6.149 1.00 30.32 O ATOM 411 CB LEU A 39 35.418 3.546 5.376 1.00 30.39 C ATOM 412 CG LEU A 39 35.158 4.961 4.850 1.00 29.86 C ATOM 413 CD1 LEU A 39 33.970 4.933 3.901 1.00 32.92 C ATOM 414 CD2 LEU A 39 34.916 5.926 5.981 1.00 29.64 C ATOM 415 H LEU A 39 38.105 3.841 5.174 1.00 0.00 H ATOM 416 N ASP A 40 35.878 1.398 7.766 1.00 35.08 N ATOM 417 CA ASP A 40 35.882 -0.042 8.030 1.00 36.65 C ATOM 418 C ASP A 40 34.792 -0.747 7.217 1.00 40.54 C ATOM 419 O ASP A 40 34.098 -0.105 6.421 1.00 39.89 O ATOM 420 CB ASP A 40 35.725 -0.332 9.529 1.00 40.19 C ATOM 421 CG ASP A 40 34.367 0.085 10.094 1.00 45.13 C ATOM 422 OD1 ASP A 40 33.397 0.294 9.341 1.00 46.82 O ATOM 423 OD2 ASP A 40 34.269 0.183 11.331 1.00 46.72 O ATOM 424 H ASP A 40 35.281 2.025 8.342 1.00 0.00 H ATOM 425 N ASP A 41 34.631 -2.052 7.435 1.00 41.59 N ATOM 426 CA ASP A 41 33.692 -2.848 6.648 1.00 45.49 C ATOM 427 C ASP A 41 32.236 -2.457 6.892 1.00 49.93 C ATOM 428 O ASP A 41 31.352 -2.867 6.144 1.00 52.36 O ATOM 429 CB ASP A 41 33.889 -4.352 6.921 1.00 48.13 C ATOM 430 CG ASP A 41 34.113 -4.672 8.394 1.00 50.65 C ATOM 431 OD1 ASP A 41 34.293 -3.741 9.201 1.00 50.25 O ATOM 432 OD2 ASP A 41 34.134 -5.874 8.743 1.00 55.54 O ATOM 433 H ASP A 41 35.187 -2.514 8.183 1.00 0.00 H ATOM 434 N GLU A 42 31.998 -1.660 7.931 1.00 50.86 N ATOM 435 CA GLU A 42 30.657 -1.167 8.251 1.00 54.25 C ATOM 436 C GLU A 42 30.429 0.269 7.763 1.00 52.46 C ATOM 437 O GLU A 42 29.311 0.778 7.828 1.00 51.00 O ATOM 438 CB GLU A 42 30.407 -1.233 9.764 1.00 60.27 C ATOM 439 CG GLU A 42 30.180 -2.640 10.325 1.00 69.07 C ATOM 440 CD GLU A 42 29.793 -2.625 11.801 1.00 75.76 C ATOM 441 OE1 GLU A 42 29.815 -1.534 12.416 1.00 77.24 O ATOM 442 OE2 GLU A 42 29.464 -3.703 12.345 1.00 79.22 O ATOM 443 H GLU A 42 32.794 -1.377 8.538 1.00 0.00 H ATOM 444 N GLY A 43 31.491 0.926 7.301 1.00 47.62 N ATOM 445 CA GLY A 43 31.376 2.289 6.808 1.00 46.02 C ATOM 446 C GLY A 43 31.667 3.349 7.856 1.00 41.35 C ATOM 447 O GLY A 43 31.484 4.537 7.608 1.00 43.22 O ATOM 448 H GLY A 43 32.419 0.456 7.293 1.00 0.00 H ATOM 449 N LYS A 44 32.105 2.914 9.033 1.00 40.07 N ATOM 450 CA LYS A 44 32.476 3.823 10.114 1.00 45.38 C ATOM 451 C LYS A 44 33.877 4.427 9.893 1.00 38.80 C ATOM 452 O LYS A 44 34.801 3.738 9.443 1.00 36.28 O ATOM 453 CB LYS A 44 32.416 3.078 11.452 1.00 54.59 C ATOM 454 CG LYS A 44 33.027 3.823 12.638 1.00 60.91 C ATOM 455 CD LYS A 44 33.620 2.841 13.660 1.00 66.55 C ATOM 456 CE LYS A 44 34.078 3.544 14.933 1.00 69.22 C ATOM 457 NZ LYS A 44 34.769 2.621 15.876 1.00 69.08 N ATOM 458 HZ1 LYS A 44 34.120 1.855 16.148 1.00 0.00 H ATOM 459 HZ2 LYS A 44 35.608 2.218 15.412 1.00 0.00 H ATOM 460 HZ3 LYS A 44 35.060 3.148 16.724 1.00 0.00 H ATOM 461 H LYS A 44 32.186 1.889 9.190 1.00 0.00 H ATOM 462 N GLU A 45 34.044 5.707 10.219 1.00 35.24 N ATOM 463 CA GLU A 45 35.356 6.347 10.062 1.00 35.41 C ATOM 464 C GLU A 45 36.304 5.944 11.182 1.00 39.18 C ATOM 465 O GLU A 45 35.946 5.991 12.364 1.00 44.12 O ATOM 466 CB GLU A 45 35.226 7.874 10.024 1.00 35.92 C ATOM 467 CG GLU A 45 34.347 8.382 8.912 1.00 36.63 C ATOM 468 CD GLU A 45 34.321 9.897 8.842 1.00 36.54 C ATOM 469 OE1 GLU A 45 34.913 10.556 9.726 1.00 35.60 O ATOM 470 OE2 GLU A 45 33.720 10.421 7.887 1.00 36.09 O ATOM 471 H GLU A 45 33.241 6.256 10.587 1.00 0.00 H ATOM 472 N ILE A 46 37.514 5.543 10.804 1.00 34.51 N ATOM 473 CA ILE A 46 38.540 5.166 11.768 1.00 34.92 C ATOM 474 C ILE A 46 39.855 5.812 11.317 1.00 31.28 C ATOM 475 O ILE A 46 39.991 6.170 10.147 1.00 31.35 O ATOM 476 CB ILE A 46 38.700 3.621 11.891 1.00 28.95 C ATOM 477 CG1 ILE A 46 39.253 3.016 10.609 1.00 30.21 C ATOM 478 CG2 ILE A 46 37.383 2.934 12.265 1.00 35.30 C ATOM 479 CD1 ILE A 46 39.646 1.573 10.784 1.00 32.46 C ATOM 480 H ILE A 46 37.735 5.497 9.789 1.00 0.00 H ATOM 481 N PRO A 47 40.818 5.985 12.240 1.00 32.52 N ATOM 482 CA PRO A 47 42.109 6.578 11.864 1.00 30.74 C ATOM 483 C PRO A 47 42.801 5.838 10.724 1.00 25.40 C ATOM 484 O PRO A 47 42.838 4.606 10.740 1.00 24.75 O ATOM 485 CB PRO A 47 42.923 6.475 13.155 1.00 33.89 C ATOM 486 CG PRO A 47 41.883 6.543 14.248 1.00 37.10 C ATOM 487 CD PRO A 47 40.706 5.781 13.698 1.00 37.29 C ATOM 488 N ALA A 48 43.353 6.569 9.757 1.00 21.87 N ATOM 489 CA ALA A 48 44.009 5.920 8.631 1.00 21.28 C ATOM 490 C ALA A 48 45.456 5.560 8.980 1.00 23.18 C ATOM 491 O ALA A 48 46.402 6.081 8.391 1.00 19.80 O ATOM 492 CB ALA A 48 43.946 6.810 7.395 1.00 19.19 C ATOM 493 H ALA A 48 43.315 7.607 9.807 1.00 0.00 H ATOM 494 N THR A 49 45.618 4.634 9.924 1.00 23.72 N ATOM 495 CA THR A 49 46.939 4.279 10.433 1.00 22.53 C ATOM 496 C THR A 49 47.706 3.364 9.467 1.00 21.38 C ATOM 497 O THR A 49 48.846 3.019 9.723 1.00 21.50 O ATOM 498 CB THR A 49 46.825 3.583 11.818 1.00 32.30 C ATOM 499 OG1 THR A 49 46.076 2.369 11.678 1.00 32.39 O ATOM 500 CG2 THR A 49 46.113 4.500 12.832 1.00 38.10 C ATOM 501 HG1 THR A 49 45.171 2.579 11.336 1.00 0.00 H ATOM 502 H THR A 49 44.781 4.151 10.308 1.00 0.00 H ATOM 503 N ILE A 50 47.075 2.968 8.366 1.00 20.25 N ATOM 504 CA ILE A 50 47.769 2.189 7.331 1.00 19.07 C ATOM 505 C ILE A 50 48.749 3.035 6.514 1.00 19.10 C ATOM 506 O ILE A 50 49.483 2.507 5.689 1.00 17.22 O ATOM 507 CB ILE A 50 46.770 1.534 6.386 1.00 22.34 C ATOM 508 CG1 ILE A 50 45.802 2.603 5.851 1.00 20.64 C ATOM 509 CG2 ILE A 50 45.986 0.423 7.143 1.00 19.74 C ATOM 510 CD1 ILE A 50 45.048 2.180 4.571 1.00 20.90 C ATOM 511 H ILE A 50 46.073 3.214 8.235 1.00 0.00 H ATOM 512 N PHE A 51 48.736 4.354 6.722 1.00 17.61 N ATOM 513 CA PHE A 51 49.680 5.252 6.045 1.00 16.77 C ATOM 514 C PHE A 51 50.711 5.748 7.035 1.00 19.98 C ATOM 515 O PHE A 51 50.338 6.188 8.099 1.00 20.94 O ATOM 516 CB PHE A 51 48.966 6.471 5.443 1.00 15.52 C ATOM 517 CG PHE A 51 47.840 6.119 4.500 1.00 15.35 C ATOM 518 CD1 PHE A 51 48.010 5.147 3.532 1.00 16.00 C ATOM 519 CD2 PHE A 51 46.622 6.768 4.586 1.00 20.75 C ATOM 520 CE1 PHE A 51 46.951 4.805 2.659 1.00 18.08 C ATOM 521 CE2 PHE A 51 45.572 6.442 3.718 1.00 21.70 C ATOM 522 CZ PHE A 51 45.738 5.467 2.763 1.00 20.69 C ATOM 523 H PHE A 51 48.039 4.756 7.381 1.00 0.00 H ATOM 524 N ASP A 52 52.001 5.692 6.735 1.00 19.58 N ATOM 525 CA ASP A 52 52.875 6.377 7.693 1.00 26.33 C ATOM 526 C ASP A 52 53.171 7.792 7.208 1.00 20.50 C ATOM 527 O ASP A 52 53.765 8.574 7.930 1.00 25.83 O ATOM 528 CB ASP A 52 54.172 5.620 7.978 1.00 34.98 C ATOM 529 CG ASP A 52 54.897 5.227 6.746 1.00 40.16 C ATOM 530 OD1 ASP A 52 54.550 5.749 5.676 1.00 33.13 O ATOM 531 OD2 ASP A 52 55.826 4.388 6.847 1.00 46.74 O ATOM 532 H ASP A 52 52.363 5.203 5.891 1.00 0.00 H ATOM 533 N LYS A 53 52.748 8.128 5.993 1.00 16.83 N ATOM 534 CA LYS A 53 52.936 9.508 5.501 1.00 19.78 C ATOM 535 C LYS A 53 51.933 9.865 4.423 1.00 21.25 C ATOM 536 O LYS A 53 51.514 9.002 3.659 1.00 16.90 O ATOM 537 CB LYS A 53 54.380 9.688 4.978 1.00 22.75 C ATOM 538 CG LYS A 53 54.652 10.951 4.197 1.00 36.32 C ATOM 539 CD LYS A 53 56.138 11.298 4.191 1.00 44.54 C ATOM 540 CE LYS A 53 57.018 10.170 3.728 1.00 47.90 C ATOM 541 NZ LYS A 53 58.482 10.519 3.897 1.00 47.67 N ATOM 542 HZ1 LYS A 53 58.702 11.366 3.336 1.00 0.00 H ATOM 543 HZ2 LYS A 53 58.679 10.706 4.901 1.00 0.00 H ATOM 544 HZ3 LYS A 53 59.067 9.724 3.570 1.00 0.00 H ATOM 545 H LYS A 53 52.285 7.419 5.389 1.00 0.00 H ATOM 546 N VAL A 54 51.537 11.145 4.392 1.00 17.70 N ATOM 547 CA VAL A 54 50.685 11.694 3.341 1.00 17.38 C ATOM 548 C VAL A 54 51.330 12.982 2.849 1.00 17.17 C ATOM 549 O VAL A 54 51.755 13.816 3.649 1.00 20.18 O ATOM 550 CB VAL A 54 49.255 12.007 3.828 1.00 19.11 C ATOM 551 CG1 VAL A 54 48.513 12.785 2.770 1.00 19.93 C ATOM 552 CG2 VAL A 54 48.479 10.706 4.117 1.00 16.14 C ATOM 553 H VAL A 54 51.852 11.779 5.154 1.00 0.00 H ATOM 554 N ILE A 55 51.423 13.134 1.540 1.00 17.42 N ATOM 555 CA ILE A 55 51.963 14.369 0.982 1.00 20.96 C ATOM 556 C ILE A 55 50.939 14.990 0.066 1.00 21.65 C ATOM 557 O ILE A 55 50.488 14.374 -0.905 1.00 20.50 O ATOM 558 CB ILE A 55 53.281 14.147 0.204 1.00 23.51 C ATOM 559 CG1 ILE A 55 54.274 13.357 1.050 1.00 22.94 C ATOM 560 CG2 ILE A 55 53.882 15.526 -0.219 1.00 20.92 C ATOM 561 CD1 ILE A 55 55.594 13.020 0.327 1.00 27.24 C ATOM 562 H ILE A 55 51.110 12.371 0.906 1.00 0.00 H ATOM 563 N TYR A 56 50.540 16.214 0.394 1.00 19.30 N ATOM 564 CA TYR A 56 49.654 16.966 -0.471 1.00 20.45 C ATOM 565 C TYR A 56 50.464 17.722 -1.502 1.00 23.39 C ATOM 566 O TYR A 56 51.355 18.504 -1.156 1.00 28.11 O ATOM 567 CB TYR A 56 48.808 17.954 0.341 1.00 18.77 C ATOM 568 CG TYR A 56 47.885 17.262 1.297 1.00 17.90 C ATOM 569 CD1 TYR A 56 46.623 16.875 0.902 1.00 17.52 C ATOM 570 CD2 TYR A 56 48.276 16.991 2.595 1.00 18.23 C ATOM 571 CE1 TYR A 56 45.757 16.236 1.775 1.00 17.34 C ATOM 572 CE2 TYR A 56 47.412 16.354 3.488 1.00 18.83 C ATOM 573 CZ TYR A 56 46.150 15.981 3.059 1.00 21.19 C ATOM 574 OH TYR A 56 45.279 15.343 3.917 1.00 20.27 O ATOM 575 HH TYR A 56 45.100 15.926 4.697 1.00 0.00 H ATOM 576 H TYR A 56 50.869 16.639 1.285 1.00 0.00 H ATOM 577 N HIS A 57 50.146 17.514 -2.768 1.00 21.25 N ATOM 578 CA HIS A 57 50.891 18.171 -3.817 1.00 24.79 C ATOM 579 C HIS A 57 50.042 19.329 -4.318 1.00 26.13 C ATOM 580 O HIS A 57 49.153 19.155 -5.158 1.00 24.01 O ATOM 581 CB HIS A 57 51.241 17.183 -4.931 1.00 24.71 C ATOM 582 CG HIS A 57 52.055 16.006 -4.468 1.00 26.20 C ATOM 583 ND1 HIS A 57 53.358 16.126 -4.021 1.00 25.28 N ATOM 584 CD2 HIS A 57 51.755 14.685 -4.403 1.00 23.50 C ATOM 585 CE1 HIS A 57 53.825 14.925 -3.706 1.00 26.10 C ATOM 586 NE2 HIS A 57 52.870 14.038 -3.917 1.00 24.45 N ATOM 587 H HIS A 57 49.360 16.877 -3.009 1.00 0.00 H ATOM 588 N LEU A 58 50.313 20.515 -3.788 1.00 24.99 N ATOM 589 CA LEU A 58 49.440 21.649 -4.047 1.00 25.58 C ATOM 590 C LEU A 58 49.798 22.350 -5.342 1.00 29.99 C ATOM 591 O LEU A 58 50.882 22.142 -5.897 1.00 27.25 O ATOM 592 CB LEU A 58 49.485 22.637 -2.879 1.00 26.62 C ATOM 593 CG LEU A 58 49.105 22.060 -1.507 1.00 23.09 C ATOM 594 CD1 LEU A 58 49.090 23.167 -0.452 1.00 24.15 C ATOM 595 CD2 LEU A 58 47.765 21.334 -1.536 1.00 26.18 C ATOM 596 H LEU A 58 51.152 20.634 -3.186 1.00 0.00 H ATOM 597 N HIS A 59 48.852 23.157 -5.822 1.00 28.32 N ATOM 598 CA HIS A 59 49.045 24.033 -6.963 1.00 32.50 C ATOM 599 C HIS A 59 50.330 24.809 -6.725 1.00 37.99 C ATOM 600 O HIS A 59 50.606 25.222 -5.598 1.00 34.67 O ATOM 601 CB HIS A 59 47.838 24.972 -7.117 1.00 32.61 C ATOM 602 CG HIS A 59 47.746 25.652 -8.450 1.00 38.25 C ATOM 603 ND1 HIS A 59 48.270 26.907 -8.683 1.00 40.11 N ATOM 604 CD2 HIS A 59 47.158 25.267 -9.606 1.00 40.67 C ATOM 605 CE1 HIS A 59 48.023 27.257 -9.933 1.00 44.64 C ATOM 606 NE2 HIS A 59 47.351 26.281 -10.516 1.00 46.28 N ATOM 607 H HIS A 59 47.924 23.159 -5.353 1.00 0.00 H ATOM 608 N PRO A 60 51.133 25.001 -7.778 1.00 45.65 N ATOM 609 CA PRO A 60 52.420 25.686 -7.612 1.00 47.80 C ATOM 610 C PRO A 60 52.293 27.178 -7.278 1.00 45.88 C ATOM 611 O PRO A 60 53.314 27.839 -7.127 1.00 48.91 O ATOM 612 CB PRO A 60 53.103 25.488 -8.972 1.00 55.11 C ATOM 613 CG PRO A 60 51.991 25.216 -9.933 1.00 55.19 C ATOM 614 CD PRO A 60 50.945 24.482 -9.144 1.00 50.29 C ATOM 615 N THR A 61 51.075 27.702 -7.153 1.00 38.53 N ATOM 616 CA THR A 61 50.912 29.068 -6.650 1.00 38.89 C ATOM 617 C THR A 61 51.118 29.100 -5.128 1.00 38.88 C ATOM 618 O THR A 61 51.230 30.168 -4.542 1.00 43.76 O ATOM 619 CB THR A 61 49.534 29.667 -7.016 1.00 39.66 C ATOM 620 OG1 THR A 61 48.485 28.756 -6.666 1.00 37.81 O ATOM 621 CG2 THR A 61 49.463 29.973 -8.509 1.00 45.30 C ATOM 622 HG1 THR A 61 48.609 27.906 -7.159 1.00 0.00 H ATOM 623 H THR A 61 50.239 27.141 -7.413 1.00 0.00 H ATOM 624 N PHE A 62 51.195 27.927 -4.499 1.00 32.43 N ATOM 625 CA PHE A 62 51.502 27.823 -3.067 1.00 34.24 C ATOM 626 C PHE A 62 52.999 27.707 -2.762 1.00 39.71 C ATOM 627 O PHE A 62 53.728 26.979 -3.440 1.00 41.90 O ATOM 628 CB PHE A 62 50.790 26.609 -2.458 1.00 35.40 C ATOM 629 CG PHE A 62 49.314 26.782 -2.333 1.00 33.67 C ATOM 630 CD1 PHE A 62 48.771 27.357 -1.197 1.00 32.82 C ATOM 631 CD2 PHE A 62 48.463 26.387 -3.357 1.00 28.10 C ATOM 632 CE1 PHE A 62 47.407 27.537 -1.087 1.00 30.26 C ATOM 633 CE2 PHE A 62 47.105 26.554 -3.246 1.00 28.80 C ATOM 634 CZ PHE A 62 46.573 27.136 -2.113 1.00 29.79 C ATOM 635 H PHE A 62 51.032 27.055 -5.042 1.00 0.00 H ATOM 636 N ALA A 63 53.444 28.396 -1.716 1.00 43.20 N ATOM 637 CA ALA A 63 54.820 28.262 -1.245 1.00 49.41 C ATOM 638 C ALA A 63 55.092 26.837 -0.770 1.00 47.24 C ATOM 639 O ALA A 63 54.343 26.306 0.049 1.00 42.19 O ATOM 640 CB ALA A 63 55.096 29.261 -0.122 1.00 53.66 C ATOM 641 H ALA A 63 52.798 29.045 -1.222 1.00 0.00 H ATOM 642 N ASN A 64 56.177 26.245 -1.273 1.00 50.07 N ATOM 643 CA ASN A 64 56.535 24.859 -0.978 1.00 47.87 C ATOM 644 C ASN A 64 55.321 23.957 -1.049 1.00 42.01 C ATOM 645 O ASN A 64 54.864 23.451 -0.028 1.00 41.72 O ATOM 646 CB ASN A 64 57.186 24.762 0.400 1.00 53.48 C ATOM 647 CG ASN A 64 58.578 25.381 0.432 1.00 63.05 C ATOM 648 OD1 ASN A 64 59.383 25.193 -0.487 1.00 63.23 O ATOM 649 ND2 ASN A 64 58.864 26.130 1.493 1.00 68.44 N ATOM 650 HD22 ASN A 64 58.156 26.261 2.243 1.00 0.00 H ATOM 651 HD21 ASN A 64 59.796 26.585 1.573 1.00 0.00 H ATOM 652 H ASN A 64 56.796 26.794 -1.903 1.00 0.00 H ATOM 653 N PRO A 65 54.785 23.767 -2.262 1.00 38.74 N ATOM 654 CA PRO A 65 53.445 23.187 -2.414 1.00 32.79 C ATOM 655 C PRO A 65 53.365 21.709 -2.030 1.00 28.73 C ATOM 656 O PRO A 65 52.276 21.144 -2.050 1.00 26.99 O ATOM 657 CB PRO A 65 53.144 23.391 -3.907 1.00 31.33 C ATOM 658 CG PRO A 65 54.478 23.458 -4.559 1.00 39.06 C ATOM 659 CD PRO A 65 55.413 24.083 -3.557 1.00 41.42 C ATOM 660 N ASN A 66 54.483 21.090 -1.670 1.00 29.32 N ATOM 661 CA ASN A 66 54.433 19.692 -1.267 1.00 30.31 C ATOM 662 C ASN A 66 54.547 19.541 0.232 1.00 31.57 C ATOM 663 O ASN A 66 55.631 19.661 0.810 1.00 33.98 O ATOM 664 CB ASN A 66 55.523 18.924 -1.992 1.00 31.30 C ATOM 665 CG ASN A 66 55.436 19.130 -3.471 1.00 34.80 C ATOM 666 OD1 ASN A 66 54.525 18.609 -4.113 1.00 33.79 O ATOM 667 ND2 ASN A 66 56.336 19.947 -4.019 1.00 40.75 N ATOM 668 HD22 ASN A 66 57.087 20.362 -3.432 1.00 0.00 H ATOM 669 HD21 ASN A 66 56.287 20.169 -5.034 1.00 0.00 H ATOM 670 H ASN A 66 55.389 21.601 -1.676 1.00 0.00 H ATOM 671 N ARG A 67 53.398 19.287 0.849 1.00 23.85 N ATOM 672 CA ARG A 67 53.239 19.401 2.288 1.00 27.22 C ATOM 673 C ARG A 67 53.110 18.017 2.901 1.00 25.97 C ATOM 674 O ARG A 67 52.152 17.302 2.597 1.00 21.64 O ATOM 675 CB ARG A 67 51.993 20.239 2.610 1.00 24.88 C ATOM 676 CG ARG A 67 51.945 21.627 1.924 1.00 30.19 C ATOM 677 CD ARG A 67 52.998 22.565 2.455 1.00 35.60 C ATOM 678 NE ARG A 67 52.918 23.880 1.810 1.00 37.67 N ATOM 679 CZ ARG A 67 52.018 24.812 2.125 1.00 36.73 C ATOM 680 NH1 ARG A 67 52.022 25.982 1.492 1.00 42.80 N ATOM 681 NH2 ARG A 67 51.122 24.580 3.078 1.00 33.25 N ATOM 682 HE ARG A 67 53.606 24.099 1.061 1.00 0.00 H ATOM 683 HH12 ARG A 67 51.320 26.709 1.738 1.00 0.00 H ATOM 684 HH11 ARG A 67 52.727 26.170 0.751 1.00 0.00 H ATOM 685 HH22 ARG A 67 50.421 25.309 3.321 1.00 0.00 H ATOM 686 HH21 ARG A 67 51.121 23.669 3.581 1.00 0.00 H ATOM 687 H ARG A 67 52.579 18.995 0.278 1.00 0.00 H ATOM 688 N THR A 68 54.044 17.662 3.774 1.00 26.67 N ATOM 689 CA THR A 68 54.108 16.318 4.331 1.00 29.08 C ATOM 690 C THR A 68 53.523 16.222 5.730 1.00 27.08 C ATOM 691 O THR A 68 53.811 17.053 6.585 1.00 30.53 O ATOM 692 CB THR A 68 55.560 15.825 4.390 1.00 30.08 C ATOM 693 OG1 THR A 68 56.049 15.609 3.061 1.00 28.97 O ATOM 694 CG2 THR A 68 55.653 14.553 5.186 1.00 28.64 C ATOM 695 HG1 THR A 68 56.986 15.291 3.103 1.00 0.00 H ATOM 696 H THR A 68 54.752 18.365 4.069 1.00 0.00 H ATOM 697 N PHE A 69 52.701 15.203 5.959 1.00 19.73 N ATOM 698 CA PHE A 69 52.092 14.962 7.258 1.00 22.43 C ATOM 699 C PHE A 69 52.307 13.509 7.655 1.00 24.72 C ATOM 700 O PHE A 69 52.280 12.632 6.799 1.00 23.27 O ATOM 701 CB PHE A 69 50.609 15.314 7.201 1.00 22.58 C ATOM 702 CG PHE A 69 50.375 16.770 6.894 1.00 23.29 C ATOM 703 CD1 PHE A 69 50.268 17.691 7.916 1.00 29.22 C ATOM 704 CD2 PHE A 69 50.342 17.223 5.582 1.00 20.28 C ATOM 705 CE1 PHE A 69 50.082 19.047 7.642 1.00 28.55 C ATOM 706 CE2 PHE A 69 50.151 18.582 5.302 1.00 25.37 C ATOM 707 CZ PHE A 69 50.041 19.486 6.332 1.00 27.65 C ATOM 708 H PHE A 69 52.484 14.551 5.178 1.00 0.00 H ATOM 709 N THR A 70 52.519 13.249 8.944 1.00 24.56 N ATOM 710 CA THR A 70 52.858 11.887 9.361 1.00 25.66 C ATOM 711 C THR A 70 51.874 11.319 10.359 1.00 25.10 C ATOM 712 O THR A 70 51.963 10.155 10.732 1.00 26.78 O ATOM 713 CB THR A 70 54.278 11.821 10.011 1.00 33.47 C ATOM 714 OG1 THR A 70 54.325 12.745 11.100 1.00 34.11 O ATOM 715 CG2 THR A 70 55.360 12.174 9.005 1.00 32.40 C ATOM 716 HG1 THR A 70 53.636 12.501 11.768 1.00 0.00 H ATOM 717 H THR A 70 52.444 14.009 9.650 1.00 0.00 H ATOM 718 N ASP A 71 50.948 12.134 10.827 1.00 24.30 N ATOM 719 CA ASP A 71 50.032 11.670 11.861 1.00 29.05 C ATOM 720 C ASP A 71 48.583 11.791 11.422 1.00 28.02 C ATOM 721 O ASP A 71 48.170 12.854 10.944 1.00 26.06 O ATOM 722 CB ASP A 71 50.272 12.448 13.156 1.00 40.08 C ATOM 723 CG ASP A 71 51.646 12.161 13.757 1.00 53.73 C ATOM 724 OD1 ASP A 71 51.757 11.247 14.596 1.00 57.95 O ATOM 725 OD2 ASP A 71 52.620 12.842 13.379 1.00 59.67 O ATOM 726 H ASP A 71 50.872 13.104 10.459 1.00 0.00 H ATOM 727 N PRO A 72 47.819 10.695 11.545 1.00 25.03 N ATOM 728 CA PRO A 72 46.391 10.733 11.217 1.00 25.01 C ATOM 729 C PRO A 72 45.691 11.837 12.013 1.00 27.07 C ATOM 730 O PRO A 72 46.014 12.019 13.182 1.00 29.42 O ATOM 731 CB PRO A 72 45.893 9.344 11.633 1.00 26.32 C ATOM 732 CG PRO A 72 47.142 8.441 11.498 1.00 26.14 C ATOM 733 CD PRO A 72 48.278 9.335 11.921 1.00 26.25 C ATOM 734 N PRO A 73 44.737 12.556 11.405 1.00 23.92 N ATOM 735 CA PRO A 73 44.185 12.367 10.057 1.00 22.95 C ATOM 736 C PRO A 73 44.896 13.155 8.953 1.00 21.12 C ATOM 737 O PRO A 73 44.268 13.450 7.919 1.00 21.20 O ATOM 738 CB PRO A 73 42.748 12.863 10.219 1.00 23.36 C ATOM 739 CG PRO A 73 42.903 14.033 11.198 1.00 24.27 C ATOM 740 CD PRO A 73 44.019 13.615 12.149 1.00 26.93 C ATOM 741 N PHE A 74 46.171 13.487 9.161 1.00 19.06 N ATOM 742 CA PHE A 74 46.967 14.136 8.128 1.00 18.42 C ATOM 743 C PHE A 74 46.326 15.446 7.668 1.00 23.87 C ATOM 744 O PHE A 74 46.193 15.701 6.470 1.00 19.62 O ATOM 745 CB PHE A 74 47.144 13.209 6.941 1.00 17.34 C ATOM 746 CG PHE A 74 47.594 11.822 7.324 1.00 18.94 C ATOM 747 CD1 PHE A 74 46.697 10.767 7.383 1.00 21.15 C ATOM 748 CD2 PHE A 74 48.917 11.589 7.631 1.00 18.46 C ATOM 749 CE1 PHE A 74 47.131 9.477 7.751 1.00 20.72 C ATOM 750 CE2 PHE A 74 49.353 10.312 7.981 1.00 19.23 C ATOM 751 CZ PHE A 74 48.455 9.265 8.039 1.00 17.54 C ATOM 752 H PHE A 74 46.607 13.278 10.082 1.00 0.00 H ATOM 753 N ARG A 75 45.939 16.269 8.631 1.00 21.81 N ATOM 754 CA ARG A 75 45.126 17.436 8.326 1.00 20.04 C ATOM 755 C ARG A 75 45.978 18.559 7.812 1.00 23.26 C ATOM 756 O ARG A 75 46.921 18.969 8.481 1.00 24.88 O ATOM 757 CB ARG A 75 44.366 17.883 9.566 1.00 21.44 C ATOM 758 CG ARG A 75 43.541 19.155 9.359 1.00 30.81 C ATOM 759 CD ARG A 75 42.923 19.626 10.666 1.00 35.94 C ATOM 760 NE ARG A 75 42.371 20.986 10.564 1.00 45.65 N ATOM 761 CZ ARG A 75 41.104 21.273 10.261 1.00 49.05 C ATOM 762 NH1 ARG A 75 40.233 20.302 10.011 1.00 51.34 N ATOM 763 NH2 ARG A 75 40.703 22.540 10.203 1.00 47.15 N ATOM 764 HE ARG A 75 43.016 21.782 10.741 1.00 0.00 H ATOM 765 HH12 ARG A 75 39.247 20.536 9.776 1.00 0.00 H ATOM 766 HH11 ARG A 75 40.537 19.308 10.051 1.00 0.00 H ATOM 767 HH22 ARG A 75 39.715 22.762 9.967 1.00 0.00 H ATOM 768 HH21 ARG A 75 41.378 23.308 10.394 1.00 0.00 H ATOM 769 H ARG A 75 46.219 16.079 9.614 1.00 0.00 H ATOM 770 N ILE A 76 45.641 19.070 6.630 1.00 19.67 N ATOM 771 CA ILE A 76 46.346 20.234 6.106 1.00 20.14 C ATOM 772 C ILE A 76 45.381 21.400 6.140 1.00 23.14 C ATOM 773 O ILE A 76 44.186 21.214 5.934 1.00 20.44 O ATOM 774 CB ILE A 76 46.869 20.023 4.662 1.00 19.48 C ATOM 775 CG1 ILE A 76 47.578 21.282 4.126 1.00 20.74 C ATOM 776 CG2 ILE A 76 45.755 19.618 3.711 1.00 18.77 C ATOM 777 CD1 ILE A 76 48.048 21.123 2.713 1.00 22.28 C ATOM 778 H ILE A 76 44.873 18.638 6.078 1.00 0.00 H ATOM 779 N GLU A 77 45.900 22.581 6.439 1.00 21.94 N ATOM 780 CA GLU A 77 45.108 23.800 6.365 1.00 25.20 C ATOM 781 C GLU A 77 45.855 24.849 5.582 1.00 28.55 C ATOM 782 O GLU A 77 47.043 25.049 5.823 1.00 25.18 O ATOM 783 CB GLU A 77 44.801 24.342 7.759 1.00 30.49 C ATOM 784 CG GLU A 77 43.875 23.484 8.573 1.00 38.04 C ATOM 785 CD GLU A 77 43.272 24.259 9.727 1.00 50.53 C ATOM 786 OE1 GLU A 77 43.236 23.721 10.850 1.00 53.93 O ATOM 787 OE2 GLU A 77 42.824 25.403 9.499 1.00 54.67 O ATOM 788 H GLU A 77 46.896 22.639 6.733 1.00 0.00 H ATOM 789 N GLU A 78 45.149 25.539 4.682 1.00 26.69 N ATOM 790 CA GLU A 78 45.748 26.585 3.861 1.00 27.00 C ATOM 791 C GLU A 78 44.765 27.705 3.583 1.00 27.31 C ATOM 792 O GLU A 78 43.618 27.641 4.024 1.00 26.24 O ATOM 793 CB GLU A 78 46.247 26.016 2.536 1.00 28.95 C ATOM 794 CG GLU A 78 47.738 25.775 2.481 1.00 34.76 C ATOM 795 CD GLU A 78 48.562 27.032 2.668 1.00 35.15 C ATOM 796 OE1 GLU A 78 48.032 28.153 2.509 1.00 29.14 O ATOM 797 OE2 GLU A 78 49.761 26.899 2.982 1.00 36.54 O ATOM 798 H GLU A 78 44.139 25.323 4.563 1.00 0.00 H ATOM 799 N GLN A 79 45.232 28.733 2.877 1.00 26.84 N ATOM 800 CA GLN A 79 44.375 29.817 2.410 1.00 26.39 C ATOM 801 C GLN A 79 44.520 29.917 0.915 1.00 28.74 C ATOM 802 O GLN A 79 45.608 29.712 0.386 1.00 27.90 O ATOM 803 CB GLN A 79 44.748 31.168 3.045 1.00 32.94 C ATOM 804 CG GLN A 79 44.641 31.213 4.541 1.00 42.54 C ATOM 805 CD GLN A 79 45.023 32.565 5.124 1.00 49.81 C ATOM 806 OE1 GLN A 79 45.309 33.528 4.398 1.00 51.13 O ATOM 807 NE2 GLN A 79 45.017 32.647 6.445 1.00 54.88 N ATOM 808 HE22 GLN A 79 44.771 31.814 7.017 1.00 0.00 H ATOM 809 HE21 GLN A 79 45.258 33.545 6.911 1.00 0.00 H ATOM 810 H GLN A 79 46.246 28.764 2.650 1.00 0.00 H ATOM 811 N GLY A 80 43.449 30.276 0.224 1.00 27.04 N ATOM 812 CA GLY A 80 43.556 30.463 -1.205 1.00 26.89 C ATOM 813 C GLY A 80 42.319 31.064 -1.810 1.00 26.50 C ATOM 814 O GLY A 80 41.314 31.212 -1.131 1.00 27.60 O ATOM 815 H GLY A 80 42.539 30.422 0.705 1.00 0.00 H ATOM 816 N TRP A 81 42.390 31.395 -3.093 1.00 27.99 N ATOM 817 CA TRP A 81 41.302 32.099 -3.748 1.00 29.26 C ATOM 818 C TRP A 81 40.693 31.274 -4.880 1.00 27.93 C ATOM 819 O TRP A 81 39.687 31.674 -5.471 1.00 29.46 O ATOM 820 CB TRP A 81 41.796 33.455 -4.278 1.00 36.59 C ATOM 821 CG TRP A 81 43.218 33.403 -4.695 1.00 41.59 C ATOM 822 CD1 TRP A 81 44.307 33.718 -3.937 1.00 45.64 C ATOM 823 CD2 TRP A 81 43.719 32.979 -5.961 1.00 50.05 C ATOM 824 NE1 TRP A 81 45.457 33.523 -4.661 1.00 52.63 N ATOM 825 CE2 TRP A 81 45.122 33.067 -5.906 1.00 53.19 C ATOM 826 CE3 TRP A 81 43.118 32.532 -7.137 1.00 55.53 C ATOM 827 CZ2 TRP A 81 45.932 32.729 -6.988 1.00 59.71 C ATOM 828 CZ3 TRP A 81 43.923 32.195 -8.206 1.00 59.21 C ATOM 829 CH2 TRP A 81 45.313 32.294 -8.125 1.00 61.90 C ATOM 830 HE1 TRP A 81 46.424 33.694 -4.319 1.00 0.00 H ATOM 831 H TRP A 81 43.239 31.146 -3.639 1.00 0.00 H ATOM 832 N GLY A 82 41.282 30.121 -5.173 1.00 34.14 N ATOM 833 CA GLY A 82 40.800 29.307 -6.275 1.00 35.30 C ATOM 834 C GLY A 82 40.849 27.825 -5.997 1.00 31.19 C ATOM 835 O GLY A 82 41.737 27.344 -5.295 1.00 32.38 O ATOM 836 H GLY A 82 42.094 29.798 -4.609 1.00 0.00 H ATOM 837 N GLY A 83 39.890 27.086 -6.542 1.00 29.32 N ATOM 838 CA GLY A 83 39.913 25.641 -6.391 1.00 29.97 C ATOM 839 C GLY A 83 40.853 25.030 -7.415 1.00 27.33 C ATOM 840 O GLY A 83 41.232 25.697 -8.380 1.00 31.12 O ATOM 841 H GLY A 83 39.123 27.541 -7.077 1.00 0.00 H ATOM 842 N PHE A 84 41.211 23.763 -7.235 1.00 28.87 N ATOM 843 CA PHE A 84 42.162 23.124 -8.140 1.00 30.93 C ATOM 844 C PHE A 84 42.198 21.624 -7.940 1.00 32.93 C ATOM 845 O PHE A 84 41.975 21.144 -6.829 1.00 28.14 O ATOM 846 CB PHE A 84 43.578 23.692 -7.947 1.00 30.43 C ATOM 847 CG PHE A 84 44.101 23.592 -6.527 1.00 27.54 C ATOM 848 CD1 PHE A 84 44.847 22.497 -6.110 1.00 30.91 C ATOM 849 CD2 PHE A 84 43.907 24.641 -5.635 1.00 30.70 C ATOM 850 CE1 PHE A 84 45.350 22.430 -4.805 1.00 28.73 C ATOM 851 CE2 PHE A 84 44.405 24.591 -4.333 1.00 28.22 C ATOM 852 CZ PHE A 84 45.118 23.497 -3.912 1.00 29.87 C ATOM 853 H PHE A 84 40.810 23.222 -6.442 1.00 0.00 H ATOM 854 N PRO A 85 42.472 20.879 -9.024 1.00 35.75 N ATOM 855 CA PRO A 85 42.664 19.443 -8.847 1.00 34.27 C ATOM 856 C PRO A 85 44.010 19.238 -8.187 1.00 38.62 C ATOM 857 O PRO A 85 44.935 20.013 -8.439 1.00 39.89 O ATOM 858 CB PRO A 85 42.633 18.896 -10.278 1.00 34.51 C ATOM 859 CG PRO A 85 43.132 20.044 -11.120 1.00 40.78 C ATOM 860 CD PRO A 85 42.627 21.298 -10.433 1.00 39.07 C ATOM 861 N LEU A 86 44.127 18.243 -7.326 1.00 36.50 N ATOM 862 CA LEU A 86 45.437 17.978 -6.750 1.00 41.34 C ATOM 863 C LEU A 86 45.599 16.494 -6.528 1.00 45.17 C ATOM 864 O LEU A 86 44.612 15.751 -6.475 1.00 43.74 O ATOM 865 CB LEU A 86 45.638 18.767 -5.447 1.00 40.29 C ATOM 866 CG LEU A 86 44.833 18.311 -4.227 1.00 40.55 C ATOM 867 CD1 LEU A 86 45.524 18.711 -2.936 1.00 39.65 C ATOM 868 CD2 LEU A 86 43.424 18.865 -4.269 1.00 40.03 C ATOM 869 H LEU A 86 43.303 17.663 -7.066 1.00 0.00 H ATOM 870 N ASP A 87 46.853 16.063 -6.439 1.00 46.45 N ATOM 871 CA ASP A 87 47.156 14.692 -6.125 1.00 42.46 C ATOM 872 C ASP A 87 47.545 14.623 -4.665 1.00 29.12 C ATOM 873 O ASP A 87 48.268 15.466 -4.158 1.00 27.31 O ATOM 874 CB ASP A 87 48.276 14.144 -7.025 1.00 50.19 C ATOM 875 CG ASP A 87 47.741 13.451 -8.273 1.00 58.88 C ATOM 876 OD1 ASP A 87 46.539 13.114 -8.302 1.00 62.48 O ATOM 877 OD2 ASP A 87 48.520 13.227 -9.223 1.00 61.56 O ATOM 878 H ASP A 87 47.633 16.732 -6.600 1.00 0.00 H ATOM 879 N ILE A 88 47.023 13.619 -3.982 1.00 22.01 N ATOM 880 CA ILE A 88 47.411 13.371 -2.616 1.00 20.28 C ATOM 881 C ILE A 88 48.228 12.079 -2.641 1.00 21.18 C ATOM 882 O ILE A 88 47.689 11.041 -3.024 1.00 23.15 O ATOM 883 CB ILE A 88 46.177 13.230 -1.704 1.00 19.38 C ATOM 884 CG1 ILE A 88 45.271 14.471 -1.828 1.00 22.63 C ATOM 885 CG2 ILE A 88 46.594 13.011 -0.273 1.00 22.04 C ATOM 886 CD1 ILE A 88 44.013 14.395 -0.992 1.00 22.00 C ATOM 887 H ILE A 88 46.322 12.999 -4.437 1.00 0.00 H ATOM 888 N SER A 89 49.503 12.113 -2.247 1.00 18.72 N ATOM 889 CA SER A 89 50.272 10.851 -2.199 1.00 18.76 C ATOM 890 C SER A 89 50.102 10.221 -0.829 1.00 19.42 C ATOM 891 O SER A 89 50.383 10.868 0.189 1.00 20.54 O ATOM 892 CB SER A 89 51.762 11.095 -2.480 1.00 18.75 C ATOM 893 OG SER A 89 51.983 11.373 -3.854 1.00 23.75 O ATOM 894 HG SER A 89 52.949 11.526 -4.007 1.00 0.00 H ATOM 895 H SER A 89 49.949 13.013 -1.978 1.00 0.00 H ATOM 896 N VAL A 90 49.639 8.973 -0.776 1.00 17.71 N ATOM 897 CA VAL A 90 49.558 8.308 0.515 1.00 15.85 C ATOM 898 C VAL A 90 50.566 7.149 0.475 1.00 16.16 C ATOM 899 O VAL A 90 50.663 6.437 -0.515 1.00 20.15 O ATOM 900 CB VAL A 90 48.125 7.832 0.839 1.00 15.65 C ATOM 901 CG1 VAL A 90 47.161 9.021 0.835 1.00 17.26 C ATOM 902 CG2 VAL A 90 47.656 6.809 -0.168 1.00 18.60 C ATOM 903 H VAL A 90 49.340 8.482 -1.643 1.00 0.00 H ATOM 904 N PHE A 91 51.359 7.030 1.532 1.00 16.04 N ATOM 905 CA PHE A 91 52.452 6.050 1.587 1.00 15.93 C ATOM 906 C PHE A 91 52.048 5.026 2.613 1.00 17.17 C ATOM 907 O PHE A 91 51.951 5.353 3.785 1.00 16.88 O ATOM 908 CB PHE A 91 53.796 6.711 1.989 1.00 17.35 C ATOM 909 CG PHE A 91 54.402 7.568 0.903 1.00 17.61 C ATOM 910 CD1 PHE A 91 55.346 7.038 0.032 1.00 18.64 C ATOM 911 CD2 PHE A 91 54.005 8.896 0.741 1.00 21.73 C ATOM 912 CE1 PHE A 91 55.886 7.819 -0.987 1.00 23.86 C ATOM 913 CE2 PHE A 91 54.540 9.684 -0.273 1.00 20.53 C ATOM 914 CZ PHE A 91 55.469 9.144 -1.140 1.00 22.32 C ATOM 915 H PHE A 91 51.201 7.652 2.350 1.00 0.00 H ATOM 916 N LEU A 92 51.820 3.793 2.166 1.00 17.95 N ATOM 917 CA LEU A 92 51.487 2.684 3.048 1.00 18.61 C ATOM 918 C LEU A 92 52.631 2.336 3.991 1.00 20.82 C ATOM 919 O LEU A 92 53.816 2.557 3.668 1.00 18.54 O ATOM 920 CB LEU A 92 51.100 1.449 2.207 1.00 18.49 C ATOM 921 CG LEU A 92 49.854 1.622 1.344 1.00 21.47 C ATOM 922 CD1 LEU A 92 49.837 0.562 0.195 1.00 24.65 C ATOM 923 CD2 LEU A 92 48.557 1.558 2.208 1.00 19.12 C ATOM 924 H LEU A 92 51.882 3.615 1.143 1.00 0.00 H ATOM 925 N LEU A 93 52.282 1.799 5.163 1.00 17.80 N ATOM 926 CA LEU A 93 53.279 1.363 6.150 1.00 17.63 C ATOM 927 C LEU A 93 54.264 0.426 5.509 1.00 17.54 C ATOM 928 O LEU A 93 53.914 -0.267 4.547 1.00 15.84 O ATOM 929 CB LEU A 93 52.623 0.637 7.330 1.00 18.24 C ATOM 930 CG LEU A 93 51.586 1.327 8.193 1.00 20.42 C ATOM 931 CD1 LEU A 93 51.176 0.396 9.332 1.00 24.58 C ATOM 932 CD2 LEU A 93 52.176 2.621 8.750 1.00 20.96 C ATOM 933 H LEU A 93 51.272 1.686 5.384 1.00 0.00 H ATOM 934 N GLU A 94 55.478 0.381 6.067 1.00 18.07 N ATOM 935 CA GLU A 94 56.488 -0.650 5.739 1.00 22.79 C ATOM 936 C GLU A 94 56.919 -0.591 4.275 1.00 21.96 C ATOM 937 O GLU A 94 57.211 -1.633 3.662 1.00 21.09 O ATOM 938 CB GLU A 94 55.972 -2.059 6.063 1.00 23.13 C ATOM 939 CG GLU A 94 55.772 -2.367 7.561 1.00 26.76 C ATOM 940 CD GLU A 94 57.077 -2.343 8.339 1.00 28.72 C ATOM 941 OE1 GLU A 94 57.648 -3.431 8.619 1.00 23.05 O ATOM 942 OE2 GLU A 94 57.536 -1.239 8.668 1.00 28.14 O ATOM 943 H GLU A 94 55.726 1.108 6.768 1.00 0.00 H ATOM 944 N LYS A 95 56.918 0.627 3.734 1.00 22.62 N ATOM 945 CA LYS A 95 57.297 0.902 2.350 1.00 25.35 C ATOM 946 C LYS A 95 56.528 0.034 1.370 1.00 24.79 C ATOM 947 O LYS A 95 57.051 -0.347 0.323 1.00 22.55 O ATOM 948 CB LYS A 95 58.813 0.727 2.176 1.00 32.17 C ATOM 949 CG LYS A 95 59.564 1.849 2.896 1.00 43.35 C ATOM 950 CD LYS A 95 61.005 1.974 2.456 1.00 55.63 C ATOM 951 CE LYS A 95 61.778 0.731 2.801 1.00 61.68 C ATOM 952 NZ LYS A 95 61.738 0.484 4.268 1.00 66.78 N ATOM 953 HZ1 LYS A 95 62.159 1.294 4.766 1.00 0.00 H ATOM 954 HZ2 LYS A 95 60.750 0.364 4.571 1.00 0.00 H ATOM 955 HZ3 LYS A 95 62.277 -0.378 4.488 1.00 0.00 H ATOM 956 H LYS A 95 56.631 1.428 4.332 1.00 0.00 H ATOM 957 N ALA A 96 55.266 -0.240 1.697 1.00 16.81 N ATOM 958 CA ALA A 96 54.470 -1.137 0.879 1.00 17.58 C ATOM 959 C ALA A 96 54.059 -0.483 -0.420 1.00 18.63 C ATOM 960 O ALA A 96 53.710 -1.170 -1.362 1.00 22.21 O ATOM 961 CB ALA A 96 53.250 -1.617 1.630 1.00 17.49 C ATOM 962 H ALA A 96 54.848 0.192 2.545 1.00 0.00 H ATOM 963 N GLY A 97 54.100 0.843 -0.492 1.00 18.36 N ATOM 964 CA GLY A 97 53.857 1.492 -1.768 1.00 19.04 C ATOM 965 C GLY A 97 53.210 2.852 -1.634 1.00 18.30 C ATOM 966 O GLY A 97 52.544 3.142 -0.651 1.00 18.00 O ATOM 967 H GLY A 97 54.304 1.410 0.356 1.00 0.00 H ATOM 968 N GLU A 98 53.430 3.687 -2.637 1.00 18.61 N ATOM 969 CA GLU A 98 52.777 4.982 -2.731 1.00 18.45 C ATOM 970 C GLU A 98 51.501 4.824 -3.557 1.00 19.16 C ATOM 971 O GLU A 98 51.503 4.116 -4.567 1.00 21.23 O ATOM 972 CB GLU A 98 53.713 6.004 -3.383 1.00 19.74 C ATOM 973 CG GLU A 98 53.079 7.430 -3.564 1.00 21.84 C ATOM 974 CD GLU A 98 53.995 8.349 -4.362 1.00 26.65 C ATOM 975 OE1 GLU A 98 55.067 7.856 -4.756 1.00 30.05 O ATOM 976 OE2 GLU A 98 53.663 9.544 -4.605 1.00 25.33 O ATOM 977 H GLU A 98 54.095 3.406 -3.386 1.00 0.00 H ATOM 978 N ARG A 99 50.417 5.460 -3.115 1.00 18.16 N ATOM 979 CA ARG A 99 49.211 5.594 -3.931 1.00 24.50 C ATOM 980 C ARG A 99 48.964 7.072 -4.158 1.00 25.81 C ATOM 981 O ARG A 99 49.042 7.860 -3.232 1.00 22.06 O ATOM 982 CB ARG A 99 47.994 4.955 -3.253 1.00 23.16 C ATOM 983 CG ARG A 99 48.154 3.468 -2.945 1.00 24.61 C ATOM 984 CD ARG A 99 48.183 2.669 -4.238 1.00 27.18 C ATOM 985 NE ARG A 99 48.286 1.234 -3.995 1.00 27.59 N ATOM 986 CZ ARG A 99 49.436 0.577 -3.918 1.00 30.69 C ATOM 987 NH1 ARG A 99 50.584 1.235 -4.059 1.00 27.26 N ATOM 988 NH2 ARG A 99 49.442 -0.733 -3.696 1.00 29.03 N ATOM 989 HE ARG A 99 47.405 0.694 -3.875 1.00 0.00 H ATOM 990 HH12 ARG A 99 51.487 0.723 -3.999 1.00 0.00 H ATOM 991 HH11 ARG A 99 50.578 2.261 -4.229 1.00 0.00 H ATOM 992 HH22 ARG A 99 50.345 -1.246 -3.636 1.00 0.00 H ATOM 993 HH21 ARG A 99 48.544 -1.245 -3.582 1.00 0.00 H ATOM 994 H ARG A 99 50.429 5.874 -2.161 1.00 0.00 H ATOM 995 N LYS A 100 48.687 7.456 -5.392 1.00 28.46 N ATOM 996 CA LYS A 100 48.305 8.829 -5.649 1.00 33.20 C ATOM 997 C LYS A 100 46.789 8.903 -5.708 1.00 38.88 C ATOM 998 O LYS A 100 46.156 8.197 -6.488 1.00 41.28 O ATOM 999 CB LYS A 100 48.926 9.345 -6.941 1.00 39.00 C ATOM 1000 CG LYS A 100 50.401 9.641 -6.808 1.00 44.57 C ATOM 1001 CD LYS A 100 50.740 11.057 -7.259 1.00 51.19 C ATOM 1002 CE LYS A 100 51.679 11.033 -8.455 1.00 55.04 C ATOM 1003 NZ LYS A 100 52.128 12.406 -8.847 1.00 60.04 N ATOM 1004 HZ1 LYS A 100 51.299 12.982 -9.097 1.00 0.00 H ATOM 1005 HZ2 LYS A 100 52.630 12.846 -8.050 1.00 0.00 H ATOM 1006 HZ3 LYS A 100 52.766 12.340 -9.666 1.00 0.00 H ATOM 1007 H LYS A 100 48.743 6.775 -6.176 1.00 0.00 H ATOM 1008 N ILE A 101 46.201 9.740 -4.864 1.00 33.54 N ATOM 1009 CA ILE A 101 44.756 9.840 -4.849 1.00 30.97 C ATOM 1010 C ILE A 101 44.357 11.178 -5.406 1.00 32.34 C ATOM 1011 O ILE A 101 44.749 12.224 -4.879 1.00 31.02 O ATOM 1012 CB ILE A 101 44.199 9.637 -3.442 1.00 32.91 C ATOM 1013 CG1 ILE A 101 44.494 8.208 -3.005 1.00 38.57 C ATOM 1014 CG2 ILE A 101 42.705 9.845 -3.424 1.00 36.35 C ATOM 1015 CD1 ILE A 101 44.743 8.092 -1.586 1.00 42.43 C ATOM 1016 H ILE A 101 46.773 10.320 -4.218 1.00 0.00 H ATOM 1017 N PRO A 102 43.588 11.150 -6.505 1.00 37.81 N ATOM 1018 CA PRO A 102 43.129 12.367 -7.169 1.00 38.01 C ATOM 1019 C PRO A 102 42.095 13.074 -6.305 1.00 35.12 C ATOM 1020 O PRO A 102 41.094 12.473 -5.923 1.00 41.62 O ATOM 1021 CB PRO A 102 42.502 11.846 -8.469 1.00 40.24 C ATOM 1022 CG PRO A 102 42.005 10.478 -8.109 1.00 41.61 C ATOM 1023 CD PRO A 102 43.024 9.935 -7.129 1.00 38.17 C ATOM 1024 N HIS A 103 42.340 14.324 -5.967 1.00 29.51 N ATOM 1025 CA HIS A 103 41.338 15.079 -5.217 1.00 30.53 C ATOM 1026 C HIS A 103 41.023 16.354 -5.967 1.00 33.25 C ATOM 1027 O HIS A 103 41.813 16.780 -6.801 1.00 35.30 O ATOM 1028 CB HIS A 103 41.829 15.391 -3.808 1.00 27.48 C ATOM 1029 CG HIS A 103 40.779 15.991 -2.924 1.00 24.65 C ATOM 1030 ND1 HIS A 103 39.509 15.470 -2.831 1.00 21.15 N ATOM 1031 CD2 HIS A 103 40.813 17.065 -2.097 1.00 25.42 C ATOM 1032 CE1 HIS A 103 38.798 16.200 -1.985 1.00 24.20 C ATOM 1033 NE2 HIS A 103 39.565 17.173 -1.524 1.00 23.84 N ATOM 1034 H HIS A 103 43.241 14.771 -6.232 1.00 0.00 H ATOM 1035 N ASP A 104 39.861 16.952 -5.698 1.00 25.29 N ATOM 1036 CA ASP A 104 39.569 18.267 -6.228 1.00 28.03 C ATOM 1037 C ASP A 104 39.211 19.173 -5.075 1.00 26.62 C ATOM 1038 O ASP A 104 38.294 18.880 -4.298 1.00 26.27 O ATOM 1039 CB ASP A 104 38.438 18.243 -7.255 1.00 30.43 C ATOM 1040 CG ASP A 104 38.348 19.537 -8.032 1.00 37.09 C ATOM 1041 OD1 ASP A 104 39.066 19.662 -9.047 1.00 38.91 O ATOM 1042 OD2 ASP A 104 37.570 20.444 -7.634 1.00 35.43 O ATOM 1043 H ASP A 104 39.159 16.469 -5.102 1.00 0.00 H ATOM 1044 N LEU A 105 39.969 20.251 -4.931 1.00 24.50 N ATOM 1045 CA LEU A 105 39.733 21.206 -3.863 1.00 25.34 C ATOM 1046 C LEU A 105 38.864 22.285 -4.474 1.00 29.17 C ATOM 1047 O LEU A 105 39.267 22.928 -5.435 1.00 29.36 O ATOM 1048 CB LEU A 105 41.063 21.753 -3.321 1.00 28.25 C ATOM 1049 CG LEU A 105 41.169 22.736 -2.140 1.00 29.41 C ATOM 1050 CD1 LEU A 105 40.852 24.149 -2.558 1.00 30.63 C ATOM 1051 CD2 LEU A 105 40.315 22.332 -0.955 1.00 25.53 C ATOM 1052 H LEU A 105 40.750 20.416 -5.598 1.00 0.00 H ATOM 1053 N ASN A 106 37.641 22.448 -3.977 1.00 23.45 N ATOM 1054 CA ASN A 106 36.750 23.398 -4.596 1.00 24.67 C ATOM 1055 C ASN A 106 35.806 24.024 -3.568 1.00 26.14 C ATOM 1056 O ASN A 106 35.739 23.584 -2.418 1.00 29.82 O ATOM 1057 CB ASN A 106 35.966 22.742 -5.737 1.00 30.38 C ATOM 1058 CG ASN A 106 34.983 21.698 -5.249 1.00 32.01 C ATOM 1059 OD1 ASN A 106 33.980 22.027 -4.624 1.00 34.99 O ATOM 1060 ND2 ASN A 106 35.259 20.429 -5.550 1.00 34.69 N ATOM 1061 HD22 ASN A 106 36.122 20.197 -6.082 1.00 0.00 H ATOM 1062 HD21 ASN A 106 34.611 19.671 -5.253 1.00 0.00 H ATOM 1063 H ASN A 106 37.331 21.897 -3.151 1.00 0.00 H ATOM 1064 N PHE A 107 35.098 25.058 -3.994 1.00 25.90 N ATOM 1065 CA PHE A 107 34.355 25.915 -3.068 1.00 26.25 C ATOM 1066 C PHE A 107 32.851 25.773 -3.298 1.00 30.48 C ATOM 1067 O PHE A 107 32.081 26.630 -2.898 1.00 31.73 O ATOM 1068 CB PHE A 107 34.764 27.380 -3.231 1.00 28.11 C ATOM 1069 CG PHE A 107 36.246 27.619 -3.125 1.00 29.06 C ATOM 1070 CD1 PHE A 107 37.040 26.861 -2.257 1.00 24.49 C ATOM 1071 CD2 PHE A 107 36.847 28.600 -3.895 1.00 27.40 C ATOM 1072 CE1 PHE A 107 38.429 27.096 -2.147 1.00 26.76 C ATOM 1073 CE2 PHE A 107 38.230 28.844 -3.796 1.00 27.71 C ATOM 1074 CZ PHE A 107 39.020 28.083 -2.927 1.00 27.36 C ATOM 1075 H PHE A 107 35.069 25.267 -5.012 1.00 0.00 H ATOM 1076 N LEU A 108 32.456 24.675 -3.929 1.00 36.90 N ATOM 1077 CA LEU A 108 31.057 24.400 -4.264 1.00 41.14 C ATOM 1078 C LEU A 108 30.170 24.118 -3.045 1.00 40.49 C ATOM 1079 O LEU A 108 28.963 24.387 -3.070 1.00 41.12 O ATOM 1080 CB LEU A 108 31.003 23.217 -5.229 1.00 41.81 C ATOM 1081 CG LEU A 108 31.670 23.482 -6.581 1.00 41.47 C ATOM 1082 CD1 LEU A 108 31.787 22.201 -7.421 1.00 46.62 C ATOM 1083 CD2 LEU A 108 30.903 24.574 -7.333 1.00 37.27 C ATOM 1084 H LEU A 108 33.176 23.975 -4.199 1.00 0.00 H ATOM 1085 N GLN A 109 30.767 23.552 -2.000 1.00 37.24 N ATOM 1086 CA GLN A 109 30.106 23.352 -0.712 1.00 41.17 C ATOM 1087 C GLN A 109 31.015 23.815 0.419 1.00 40.03 C ATOM 1088 O GLN A 109 32.231 23.848 0.254 1.00 37.71 O ATOM 1089 CB GLN A 109 29.756 21.881 -0.493 1.00 48.07 C ATOM 1090 CG GLN A 109 28.856 21.252 -1.521 1.00 56.69 C ATOM 1091 CD GLN A 109 28.558 19.807 -1.170 1.00 64.44 C ATOM 1092 OE1 GLN A 109 28.405 19.464 0.003 1.00 66.41 O ATOM 1093 NE2 GLN A 109 28.500 18.949 -2.180 1.00 66.76 N ATOM 1094 HE22 GLN A 109 28.635 19.284 -3.155 1.00 0.00 H ATOM 1095 HE21 GLN A 109 28.319 17.941 -1.997 1.00 0.00 H ATOM 1096 H GLN A 109 31.752 23.236 -2.105 1.00 0.00 H ATOM 1097 N GLU A 110 30.432 24.128 1.574 1.00 32.39 N ATOM 1098 CA GLU A 110 31.223 24.445 2.768 1.00 33.84 C ATOM 1099 C GLU A 110 32.052 23.234 3.249 1.00 33.75 C ATOM 1100 O GLU A 110 33.147 23.375 3.802 1.00 26.56 O ATOM 1101 CB GLU A 110 30.289 24.938 3.879 1.00 39.69 C ATOM 1102 CG GLU A 110 30.941 25.166 5.229 1.00 46.78 C ATOM 1103 CD GLU A 110 30.148 26.127 6.089 1.00 60.48 C ATOM 1104 OE1 GLU A 110 29.934 27.284 5.650 1.00 61.99 O ATOM 1105 OE2 GLU A 110 29.730 25.725 7.197 1.00 66.66 O ATOM 1106 H GLU A 110 29.394 24.148 1.631 1.00 0.00 H ATOM 1107 N SER A 111 31.513 22.042 3.052 1.00 28.11 N ATOM 1108 CA SER A 111 32.252 20.831 3.372 1.00 31.02 C ATOM 1109 C SER A 111 31.733 19.707 2.508 1.00 32.21 C ATOM 1110 O SER A 111 30.541 19.672 2.163 1.00 33.25 O ATOM 1111 CB SER A 111 32.127 20.487 4.851 1.00 33.48 C ATOM 1112 OG SER A 111 30.785 20.281 5.197 1.00 39.83 O ATOM 1113 HG SER A 111 30.418 19.534 4.661 1.00 0.00 H ATOM 1114 H SER A 111 30.551 21.970 2.664 1.00 0.00 H ATOM 1115 N TYR A 112 32.625 18.799 2.128 1.00 27.40 N ATOM 1116 CA TYR A 112 32.236 17.703 1.269 1.00 26.88 C ATOM 1117 C TYR A 112 33.222 16.580 1.435 1.00 25.65 C ATOM 1118 O TYR A 112 34.403 16.806 1.718 1.00 26.54 O ATOM 1119 CB TYR A 112 32.158 18.134 -0.198 1.00 29.86 C ATOM 1120 CG TYR A 112 33.442 18.683 -0.777 1.00 26.20 C ATOM 1121 CD1 TYR A 112 34.320 17.860 -1.463 1.00 28.89 C ATOM 1122 CD2 TYR A 112 33.774 20.031 -0.639 1.00 27.82 C ATOM 1123 CE1 TYR A 112 35.503 18.355 -2.008 1.00 26.68 C ATOM 1124 CE2 TYR A 112 34.960 20.539 -1.180 1.00 26.69 C ATOM 1125 CZ TYR A 112 35.815 19.687 -1.859 1.00 27.05 C ATOM 1126 OH TYR A 112 36.987 20.151 -2.413 1.00 23.35 O ATOM 1127 HH TYR A 112 37.462 19.402 -2.854 1.00 0.00 H ATOM 1128 H TYR A 112 33.611 18.877 2.451 1.00 0.00 H ATOM 1129 N GLU A 113 32.738 15.364 1.226 1.00 27.95 N ATOM 1130 CA GLU A 113 33.554 14.177 1.422 1.00 28.51 C ATOM 1131 C GLU A 113 33.588 13.354 0.142 1.00 29.91 C ATOM 1132 O GLU A 113 32.605 13.302 -0.596 1.00 32.55 O ATOM 1133 CB GLU A 113 33.014 13.355 2.593 1.00 30.95 C ATOM 1134 CG GLU A 113 32.983 14.109 3.919 1.00 30.24 C ATOM 1135 CD GLU A 113 31.845 15.104 4.001 1.00 36.40 C ATOM 1136 OE1 GLU A 113 30.808 14.872 3.343 1.00 41.54 O ATOM 1137 OE2 GLU A 113 31.990 16.131 4.704 1.00 35.44 O ATOM 1138 H GLU A 113 31.752 15.257 0.915 1.00 0.00 H ATOM 1139 N VAL A 114 34.728 12.732 -0.136 1.00 25.96 N ATOM 1140 CA VAL A 114 34.882 11.933 -1.343 1.00 25.04 C ATOM 1141 C VAL A 114 35.516 10.593 -0.952 1.00 27.87 C ATOM 1142 O VAL A 114 36.476 10.580 -0.206 1.00 27.25 O ATOM 1143 CB VAL A 114 35.778 12.639 -2.395 1.00 29.56 C ATOM 1144 CG1 VAL A 114 35.856 11.808 -3.647 1.00 35.80 C ATOM 1145 CG2 VAL A 114 35.240 14.039 -2.734 1.00 32.97 C ATOM 1146 H VAL A 114 35.528 12.818 0.523 1.00 0.00 H ATOM 1147 N GLU A 115 34.987 9.476 -1.440 1.00 28.90 N ATOM 1148 CA GLU A 115 35.593 8.188 -1.107 1.00 28.04 C ATOM 1149 C GLU A 115 36.416 7.644 -2.274 1.00 30.55 C ATOM 1150 O GLU A 115 36.058 7.837 -3.438 1.00 31.27 O ATOM 1151 CB GLU A 115 34.505 7.197 -0.677 1.00 32.45 C ATOM 1152 CG GLU A 115 33.869 7.572 0.649 1.00 37.18 C ATOM 1153 CD GLU A 115 32.574 6.843 0.911 1.00 48.84 C ATOM 1154 OE1 GLU A 115 32.379 5.749 0.335 1.00 51.15 O ATOM 1155 OE2 GLU A 115 31.754 7.361 1.704 1.00 51.46 O ATOM 1156 H GLU A 115 34.149 9.518 -2.054 1.00 0.00 H ATOM 1157 N HIS A 116 37.529 6.979 -1.956 1.00 28.01 N ATOM 1158 CA HIS A 116 38.386 6.355 -2.965 1.00 28.69 C ATOM 1159 C HIS A 116 38.729 4.947 -2.513 1.00 26.45 C ATOM 1160 O HIS A 116 38.986 4.731 -1.331 1.00 27.70 O ATOM 1161 CB HIS A 116 39.686 7.138 -3.187 1.00 30.62 C ATOM 1162 CG HIS A 116 39.481 8.516 -3.728 1.00 36.15 C ATOM 1163 ND1 HIS A 116 39.514 8.796 -5.078 1.00 39.88 N ATOM 1164 CD2 HIS A 116 39.266 9.697 -3.103 1.00 37.25 C ATOM 1165 CE1 HIS A 116 39.321 10.091 -5.261 1.00 39.94 C ATOM 1166 NE2 HIS A 116 39.167 10.660 -4.078 1.00 39.54 N ATOM 1167 H HIS A 116 37.797 6.901 -0.954 1.00 0.00 H ATOM 1168 N VAL A 117 38.710 4.008 -3.450 1.00 28.40 N ATOM 1169 CA VAL A 117 39.104 2.640 -3.168 1.00 29.90 C ATOM 1170 C VAL A 117 40.560 2.463 -3.592 1.00 31.80 C ATOM 1171 O VAL A 117 40.923 2.793 -4.727 1.00 33.92 O ATOM 1172 CB VAL A 117 38.202 1.638 -3.901 1.00 32.90 C ATOM 1173 CG1 VAL A 117 38.655 0.201 -3.636 1.00 35.35 C ATOM 1174 CG2 VAL A 117 36.761 1.823 -3.467 1.00 34.57 C ATOM 1175 H VAL A 117 38.405 4.259 -4.412 1.00 0.00 H ATOM 1176 N ILE A 118 41.400 1.971 -2.681 1.00 27.25 N ATOM 1177 CA ILE A 118 42.783 1.670 -3.033 1.00 24.98 C ATOM 1178 C ILE A 118 43.042 0.181 -2.780 1.00 27.17 C ATOM 1179 O ILE A 118 42.378 -0.433 -1.932 1.00 24.59 O ATOM 1180 CB ILE A 118 43.800 2.524 -2.242 1.00 23.79 C ATOM 1181 CG1 ILE A 118 43.639 2.317 -0.744 1.00 24.20 C ATOM 1182 CG2 ILE A 118 43.643 4.019 -2.587 1.00 29.66 C ATOM 1183 CD1 ILE A 118 44.753 2.974 0.083 1.00 26.90 C ATOM 1184 H ILE A 118 41.066 1.800 -1.711 1.00 0.00 H ATOM 1185 N GLN A 119 43.983 -0.387 -3.535 1.00 26.68 N ATOM 1186 CA GLN A 119 44.418 -1.777 -3.356 1.00 28.51 C ATOM 1187 C GLN A 119 45.696 -1.806 -2.536 1.00 27.12 C ATOM 1188 O GLN A 119 46.651 -1.063 -2.816 1.00 28.14 O ATOM 1189 CB GLN A 119 44.653 -2.459 -4.700 1.00 36.17 C ATOM 1190 CG GLN A 119 43.404 -2.695 -5.518 1.00 46.98 C ATOM 1191 CD GLN A 119 43.713 -3.261 -6.896 1.00 57.65 C ATOM 1192 OE1 GLN A 119 44.708 -3.967 -7.088 1.00 59.21 O ATOM 1193 NE2 GLN A 119 42.862 -2.946 -7.864 1.00 63.22 N ATOM 1194 HE22 GLN A 119 42.037 -2.348 -7.657 1.00 0.00 H ATOM 1195 HE21 GLN A 119 43.020 -3.297 -8.830 1.00 0.00 H ATOM 1196 H GLN A 119 44.428 0.180 -4.284 1.00 0.00 H ATOM 1197 N ILE A 120 45.722 -2.668 -1.527 1.00 20.83 N ATOM 1198 CA ILE A 120 46.827 -2.679 -0.588 1.00 19.48 C ATOM 1199 C ILE A 120 47.452 -4.067 -0.530 1.00 24.23 C ATOM 1200 O ILE A 120 46.737 -5.065 -0.384 1.00 25.86 O ATOM 1201 CB ILE A 120 46.343 -2.235 0.808 1.00 21.02 C ATOM 1202 CG1 ILE A 120 45.745 -0.818 0.741 1.00 26.00 C ATOM 1203 CG2 ILE A 120 47.491 -2.282 1.812 1.00 19.14 C ATOM 1204 CD1 ILE A 120 44.903 -0.431 1.941 1.00 24.68 C ATOM 1205 H ILE A 120 44.940 -3.344 -1.408 1.00 0.00 H ATOM 1206 N PRO A 121 48.791 -4.156 -0.655 1.00 25.08 N ATOM 1207 CA PRO A 121 49.360 -5.509 -0.609 1.00 24.70 C ATOM 1208 C PRO A 121 49.292 -6.155 0.772 1.00 23.45 C ATOM 1209 O PRO A 121 49.078 -5.480 1.780 1.00 22.02 O ATOM 1210 CB PRO A 121 50.816 -5.302 -1.040 1.00 26.73 C ATOM 1211 CG PRO A 121 51.109 -3.872 -0.755 1.00 26.22 C ATOM 1212 CD PRO A 121 49.814 -3.117 -0.884 1.00 26.34 C ATOM 1213 N LEU A 122 49.485 -7.473 0.790 1.00 23.42 N ATOM 1214 CA LEU A 122 49.390 -8.282 2.000 1.00 23.70 C ATOM 1215 C LEU A 122 50.704 -8.965 2.343 1.00 26.61 C ATOM 1216 O LEU A 122 50.707 -10.034 2.967 1.00 27.22 O ATOM 1217 CB LEU A 122 48.289 -9.344 1.830 1.00 25.09 C ATOM 1218 CG LEU A 122 46.886 -8.763 1.635 1.00 27.84 C ATOM 1219 CD1 LEU A 122 45.898 -9.826 1.119 1.00 31.88 C ATOM 1220 CD2 LEU A 122 46.388 -8.143 2.932 1.00 29.68 C ATOM 1221 H LEU A 122 49.715 -7.950 -0.105 1.00 0.00 H ATOM 1222 N ASN A 123 51.822 -8.367 1.940 1.00 22.75 N ATOM 1223 CA ASN A 123 53.103 -9.017 2.158 1.00 25.25 C ATOM 1224 C ASN A 123 53.983 -8.351 3.203 1.00 25.91 C ATOM 1225 O ASN A 123 55.112 -8.763 3.395 1.00 24.13 O ATOM 1226 CB ASN A 123 53.874 -9.126 0.837 1.00 30.70 C ATOM 1227 CG ASN A 123 54.154 -7.775 0.199 1.00 32.93 C ATOM 1228 OD1 ASN A 123 53.616 -6.747 0.612 1.00 26.28 O ATOM 1229 ND2 ASN A 123 54.998 -7.777 -0.829 1.00 36.45 N ATOM 1230 HD22 ASN A 123 55.430 -8.669 -1.145 1.00 0.00 H ATOM 1231 HD21 ASN A 123 55.226 -6.887 -1.317 1.00 0.00 H ATOM 1232 H ASN A 123 51.779 -7.439 1.472 1.00 0.00 H ATOM 1233 N LYS A 124 53.477 -7.331 3.891 1.00 20.06 N ATOM 1234 CA LYS A 124 54.230 -6.683 4.969 1.00 19.41 C ATOM 1235 C LYS A 124 53.514 -6.909 6.296 1.00 23.16 C ATOM 1236 O LYS A 124 52.487 -6.297 6.545 1.00 22.14 O ATOM 1237 CB LYS A 124 54.381 -5.170 4.714 1.00 19.81 C ATOM 1238 CG LYS A 124 55.023 -4.791 3.383 1.00 22.71 C ATOM 1239 CD LYS A 124 56.484 -5.268 3.321 1.00 29.85 C ATOM 1240 CE LYS A 124 57.157 -4.777 2.038 1.00 38.61 C ATOM 1241 NZ LYS A 124 58.626 -5.044 2.071 1.00 47.74 N ATOM 1242 HZ1 LYS A 124 59.049 -4.549 2.882 1.00 0.00 H ATOM 1243 HZ2 LYS A 124 58.789 -6.067 2.164 1.00 0.00 H ATOM 1244 HZ3 LYS A 124 59.059 -4.702 1.190 1.00 0.00 H ATOM 1245 H LYS A 124 52.524 -6.985 3.658 1.00 0.00 H ATOM 1246 N PRO A 125 54.054 -7.791 7.149 1.00 23.78 N ATOM 1247 CA PRO A 125 53.361 -8.199 8.378 1.00 24.39 C ATOM 1248 C PRO A 125 52.755 -7.052 9.189 1.00 25.18 C ATOM 1249 O PRO A 125 51.603 -7.158 9.596 1.00 22.73 O ATOM 1250 CB PRO A 125 54.477 -8.907 9.167 1.00 23.86 C ATOM 1251 CG PRO A 125 55.283 -9.550 8.096 1.00 24.73 C ATOM 1252 CD PRO A 125 55.327 -8.520 6.981 1.00 25.80 C ATOM 1253 N LEU A 126 53.496 -5.975 9.412 1.00 21.35 N ATOM 1254 CA LEU A 126 52.973 -4.890 10.228 1.00 20.22 C ATOM 1255 C LEU A 126 51.801 -4.180 9.558 1.00 18.14 C ATOM 1256 O LEU A 126 50.875 -3.729 10.244 1.00 21.59 O ATOM 1257 CB LEU A 126 54.082 -3.879 10.572 1.00 24.25 C ATOM 1258 CG LEU A 126 55.108 -4.311 11.622 1.00 28.55 C ATOM 1259 CD1 LEU A 126 56.044 -3.130 11.971 1.00 27.79 C ATOM 1260 CD2 LEU A 126 54.436 -4.858 12.870 1.00 33.12 C ATOM 1261 H LEU A 126 54.450 -5.906 9.004 1.00 0.00 H ATOM 1262 N LEU A 127 51.816 -4.099 8.229 1.00 17.39 N ATOM 1263 CA LEU A 127 50.701 -3.489 7.501 1.00 17.15 C ATOM 1264 C LEU A 127 49.492 -4.420 7.501 1.00 19.94 C ATOM 1265 O LEU A 127 48.361 -3.984 7.656 1.00 21.10 O ATOM 1266 CB LEU A 127 51.109 -3.163 6.061 1.00 16.54 C ATOM 1267 CG LEU A 127 50.012 -2.627 5.128 1.00 19.46 C ATOM 1268 CD1 LEU A 127 49.334 -1.346 5.693 1.00 16.37 C ATOM 1269 CD2 LEU A 127 50.584 -2.326 3.749 1.00 21.28 C ATOM 1270 H LEU A 127 52.630 -4.474 7.701 1.00 0.00 H ATOM 1271 N THR A 128 49.754 -5.715 7.364 1.00 20.82 N ATOM 1272 CA THR A 128 48.681 -6.710 7.384 1.00 21.88 C ATOM 1273 C THR A 128 47.968 -6.701 8.732 1.00 22.87 C ATOM 1274 O THR A 128 46.748 -6.749 8.785 1.00 23.21 O ATOM 1275 CB THR A 128 49.248 -8.079 7.054 1.00 21.48 C ATOM 1276 OG1 THR A 128 49.894 -7.983 5.776 1.00 22.72 O ATOM 1277 CG2 THR A 128 48.131 -9.142 6.998 1.00 25.48 C ATOM 1278 HG1 THR A 128 50.619 -7.310 5.824 1.00 0.00 H ATOM 1279 H THR A 128 50.738 -6.027 7.240 1.00 0.00 H ATOM 1280 N GLU A 129 48.722 -6.564 9.824 1.00 24.81 N ATOM 1281 CA GLU A 129 48.109 -6.464 11.145 1.00 26.52 C ATOM 1282 C GLU A 129 47.259 -5.228 11.296 1.00 28.18 C ATOM 1283 O GLU A 129 46.188 -5.264 11.914 1.00 30.10 O ATOM 1284 CB GLU A 129 49.183 -6.497 12.237 1.00 32.18 C ATOM 1285 CG GLU A 129 49.826 -7.879 12.366 1.00 39.83 C ATOM 1286 CD GLU A 129 50.461 -8.111 13.724 1.00 48.12 C ATOM 1287 OE1 GLU A 129 50.571 -7.140 14.511 1.00 48.92 O ATOM 1288 OE2 GLU A 129 50.851 -9.271 13.998 1.00 51.27 O ATOM 1289 H GLU A 129 49.757 -6.528 9.733 1.00 0.00 H ATOM 1290 N GLU A 130 47.738 -4.123 10.732 1.00 22.57 N ATOM 1291 CA GLU A 130 47.027 -2.864 10.842 1.00 22.46 C ATOM 1292 C GLU A 130 45.727 -2.949 10.039 1.00 23.52 C ATOM 1293 O GLU A 130 44.670 -2.494 10.497 1.00 25.77 O ATOM 1294 CB GLU A 130 47.937 -1.722 10.357 1.00 22.98 C ATOM 1295 CG GLU A 130 47.636 -0.374 10.934 1.00 28.58 C ATOM 1296 CD GLU A 130 47.772 -0.345 12.446 1.00 33.00 C ATOM 1297 OE1 GLU A 130 48.544 -1.147 13.021 1.00 35.06 O ATOM 1298 OE2 GLU A 130 47.096 0.493 13.057 1.00 34.39 O ATOM 1299 H GLU A 130 48.634 -4.162 10.205 1.00 0.00 H ATOM 1300 N LEU A 131 45.801 -3.587 8.871 1.00 22.93 N ATOM 1301 CA LEU A 131 44.643 -3.765 7.990 1.00 25.39 C ATOM 1302 C LEU A 131 43.495 -4.521 8.650 1.00 29.58 C ATOM 1303 O LEU A 131 42.325 -4.294 8.329 1.00 28.43 O ATOM 1304 CB LEU A 131 45.070 -4.499 6.708 1.00 25.18 C ATOM 1305 CG LEU A 131 45.770 -3.679 5.624 1.00 22.28 C ATOM 1306 CD1 LEU A 131 46.313 -4.560 4.526 1.00 24.00 C ATOM 1307 CD2 LEU A 131 44.763 -2.704 5.033 1.00 21.50 C ATOM 1308 H LEU A 131 46.719 -3.975 8.572 1.00 0.00 H ATOM 1309 N ALA A 132 43.831 -5.431 9.561 1.00 30.83 N ATOM 1310 CA ALA A 132 42.828 -6.233 10.261 1.00 35.50 C ATOM 1311 C ALA A 132 41.841 -5.362 11.021 1.00 40.41 C ATOM 1312 O ALA A 132 40.676 -5.734 11.170 1.00 41.32 O ATOM 1313 CB ALA A 132 43.506 -7.219 11.206 1.00 38.01 C ATOM 1314 H ALA A 132 44.837 -5.576 9.782 1.00 0.00 H ATOM 1315 N LYS A 133 42.287 -4.187 11.470 1.00 38.44 N ATOM 1316 CA LYS A 133 41.414 -3.265 12.199 1.00 38.55 C ATOM 1317 C LYS A 133 40.232 -2.743 11.385 1.00 40.57 C ATOM 1318 O LYS A 133 39.205 -2.357 11.941 1.00 41.51 O ATOM 1319 CB LYS A 133 42.205 -2.053 12.694 1.00 42.75 C ATOM 1320 CG LYS A 133 43.374 -2.322 13.622 1.00 47.68 C ATOM 1321 CD LYS A 133 43.917 -0.969 14.106 1.00 49.96 C ATOM 1322 CE LYS A 133 45.121 -1.108 15.010 1.00 53.67 C ATOM 1323 NZ LYS A 133 45.518 0.231 15.527 1.00 56.75 N ATOM 1324 HZ1 LYS A 133 45.756 0.853 14.728 1.00 0.00 H ATOM 1325 HZ2 LYS A 133 44.728 0.642 16.065 1.00 0.00 H ATOM 1326 HZ3 LYS A 133 46.346 0.130 16.148 1.00 0.00 H ATOM 1327 H LYS A 133 43.277 -3.920 11.298 1.00 0.00 H ATOM 1328 N SER A 134 40.384 -2.694 10.070 1.00 37.16 N ATOM 1329 CA SER A 134 39.385 -2.042 9.244 1.00 36.17 C ATOM 1330 C SER A 134 38.541 -3.009 8.430 1.00 36.83 C ATOM 1331 O SER A 134 37.632 -2.590 7.723 1.00 40.92 O ATOM 1332 CB SER A 134 40.057 -1.033 8.310 1.00 33.37 C ATOM 1333 OG SER A 134 41.181 -1.606 7.657 1.00 32.56 O ATOM 1334 HG SER A 134 41.841 -1.898 8.334 1.00 0.00 H ATOM 1335 H SER A 134 41.222 -3.124 9.628 1.00 0.00 H ATOM 1336 N GLY A 135 38.834 -4.300 8.504 1.00 36.27 N ATOM 1337 CA GLY A 135 38.038 -5.255 7.761 1.00 37.38 C ATOM 1338 C GLY A 135 38.730 -6.577 7.515 1.00 34.80 C ATOM 1339 O GLY A 135 39.778 -6.848 8.083 1.00 33.91 O ATOM 1340 H GLY A 135 39.629 -4.624 9.091 1.00 0.00 H ATOM 1341 N SER A 136 38.130 -7.406 6.670 1.00 41.69 N ATOM 1342 CA SER A 136 38.691 -8.716 6.363 1.00 45.40 C ATOM 1343 C SER A 136 39.964 -8.554 5.555 1.00 39.36 C ATOM 1344 O SER A 136 40.122 -7.572 4.822 1.00 39.26 O ATOM 1345 CB SER A 136 37.674 -9.580 5.601 1.00 53.26 C ATOM 1346 OG SER A 136 37.329 -8.973 4.366 1.00 56.84 O ATOM 1347 HG SER A 136 38.143 -8.870 3.811 1.00 0.00 H ATOM 1348 H SER A 136 37.240 -7.115 6.217 1.00 0.00 H ATOM 1349 N THR A 137 40.866 -9.520 5.690 1.00 34.87 N ATOM 1350 CA THR A 137 42.147 -9.481 4.991 1.00 34.65 C ATOM 1351 C THR A 137 42.406 -10.810 4.286 1.00 40.09 C ATOM 1352 O THR A 137 41.828 -11.828 4.670 1.00 40.61 O ATOM 1353 CB THR A 137 43.299 -9.178 5.952 1.00 35.13 C ATOM 1354 OG1 THR A 137 43.188 -10.026 7.099 1.00 39.72 O ATOM 1355 CG2 THR A 137 43.250 -7.726 6.407 1.00 30.28 C ATOM 1356 OXT THR A 137 43.199 -10.903 3.342 1.00 41.63 O ATOM 1357 HG1 THR A 137 43.232 -10.973 6.813 1.00 0.00 H ATOM 1358 H THR A 137 40.654 -10.327 6.311 1.00 0.00 H TER 1359 THR A 137 HETATM 1360 O HOH 1 56.309 3.318 4.891 1.00 28.68 O HETATM 1361 O HOH 2 45.693 39.795 -12.935 1.00 49.25 O HETATM 1362 O HOH 3 41.652 17.331 12.429 1.00 50.62 O HETATM 1363 O HOH 4 38.850 13.144 -3.980 1.00 51.72 O HETATM 1364 O HOH 5 29.763 17.329 4.419 1.00 61.56 O HETATM 1365 O HOH 6 43.106 -0.757 9.103 1.00 30.98 O HETATM 1366 O HOH 7 43.867 1.655 10.591 1.00 41.06 O HETATM 1367 O HOH 8 37.037 -2.410 4.824 1.00 44.06 O HETATM 1368 O HOH 9 51.889 -1.542 -3.645 1.00 39.87 O HETATM 1369 O HOH 10 37.668 32.767 -4.242 1.00 34.70 O HETATM 1370 O HOH 11 42.863 -12.582 7.552 1.00 30.60 O HETATM 1371 O HOH 12 37.414 0.009 3.830 1.00 30.74 O HETATM 1372 O HOH 13 34.175 17.476 5.350 1.00 37.21 O HETATM 1373 O HOH 14 40.237 42.327 -5.102 1.00 52.47 O HETATM 1374 O HOH 15 43.117 27.580 -3.044 1.00 29.62 O HETATM 1375 O HOH 16 38.605 37.356 1.484 1.00 32.00 O HETATM 1376 O HOH 17 51.105 22.919 5.163 1.00 40.98 O HETATM 1377 O HOH 18 33.318 39.586 -5.850 1.00 39.26 O HETATM 1378 O HOH 19 55.089 3.187 1.397 1.00 23.50 O HETATM 1379 O HOH 20 42.868 9.272 9.826 1.00 26.14 O HETATM 1380 O HOH 21 47.607 21.375 9.504 1.00 45.91 O HETATM 1381 O HOH 22 54.921 11.173 -6.370 1.00 44.07 O HETATM 1382 O HOH 23 36.570 15.941 0.271 1.00 22.97 O HETATM 1383 O HOH 24 50.798 -2.939 12.861 1.00 31.82 O HETATM 1384 O HOH 25 35.399 -4.515 11.580 1.00 62.90 O HETATM 1385 O HOH 26 44.984 39.354 -0.313 1.00 42.36 O HETATM 1386 O HOH 27 33.636 18.207 -5.502 1.00 49.66 O HETATM 1387 O HOH 28 56.854 5.738 -4.831 1.00 24.76 O HETATM 1388 O HOH 29 51.050 7.492 10.444 1.00 31.99 O HETATM 1389 O HOH 30 38.207 35.061 10.015 1.00 52.12 O HETATM 1390 O HOH 31 41.109 -9.273 8.807 1.00 39.32 O HETATM 1391 O HOH 32 49.820 15.103 10.574 1.00 33.63 O HETATM 1392 O HOH 33 52.986 20.276 -6.004 1.00 36.37 O HETATM 1393 O HOH 34 52.278 15.457 10.699 1.00 34.86 O HETATM 1394 O HOH 35 34.786 17.445 7.587 1.00 48.21 O HETATM 1395 O HOH 36 53.226 0.980 -5.063 1.00 45.23 O HETATM 1396 O HOH 37 39.463 -6.768 -0.923 1.00 43.45 O HETATM 1397 O HOH 38 32.470 9.596 -2.804 1.00 39.98 O HETATM 1398 O HOH 39 50.882 -5.977 3.961 1.00 21.71 O HETATM 1399 O HOH 40 55.497 8.163 10.196 1.00 56.55 O HETATM 1400 O HOH 41 29.957 15.309 0.457 1.00 34.65 O HETATM 1401 O HOH 42 46.370 15.928 11.486 1.00 33.65 O HETATM 1402 O HOH 43 31.686 7.093 11.219 1.00 49.88 O HETATM 1403 O HOH 44 51.497 29.131 2.262 1.00 52.38 O HETATM 1404 O HOH 45 45.147 1.273 -5.674 1.00 30.09 O HETATM 1405 O HOH 46 48.424 23.158 7.878 1.00 38.76 O HETATM 1406 O HOH 47 57.961 21.610 -2.180 1.00 48.59 O HETATM 1407 O HOH 48 48.785 5.232 -7.419 1.00 45.94 O HETATM 1408 O HOH 49 54.983 12.045 -3.069 1.00 33.18 O HETATM 1409 O HOH 50 57.723 21.713 0.032 1.00 60.20 O HETATM 1410 O HOH 51 37.779 4.840 -6.231 1.00 40.47 O HETATM 1411 O HOH 52 56.332 1.784 8.685 1.00 48.47 O HETATM 1412 O HOH 53 36.914 39.581 2.132 1.00 44.20 O HETATM 1413 O HOH 54 36.923 10.666 12.336 1.00 53.82 O HETATM 1414 O HOH 55 42.820 10.175 14.455 1.00 52.04 O HETATM 1415 O HOH 56 57.155 4.495 2.568 1.00 33.45 O HETATM 1416 O HOH 57 41.550 10.050 12.038 1.00 30.28 O HETATM 1417 O HOH 58 59.807 19.940 -0.089 1.00 55.98 O HETATM 1418 O HOH 59 39.128 12.211 12.259 1.00 61.42 O HETATM 1419 O HOH 60 46.562 39.196 1.925 1.00 41.06 O HETATM 1420 O HOH 61 34.587 39.901 1.207 1.00 39.48 O HETATM 1421 O HOH 62 35.274 32.099 -4.106 1.00 35.12 O HETATM 1422 O HOH 63 35.472 26.088 -6.841 1.00 33.35 O HETATM 1423 O HOH 64 30.923 31.158 -8.747 1.00 42.85 O HETATM 1424 O HOH 65 29.144 31.255 -5.946 1.00 46.49 O HETATM 1425 O HOH 66 35.018 24.281 -8.550 1.00 39.93 O HETATM 1426 O HOH 67 36.910 30.086 -12.728 1.00 50.50 O HETATM 1427 CA ALA A 68 32.737 32.658 -6.013 1.00 0.03 C HETATM 1428 C ALA A 68 32.924 31.162 -5.786 1.00 0.18 C HETATM 1429 O ALA A 68 34.046 30.663 -5.756 1.00 -0.40 O HETATM 1430 N ALA A 68 31.821 30.438 -5.632 1.00 -0.27 N HETATM 1431 CA ALA A 68 31.906 29.016 -5.298 1.00 0.13 C HETATM 1432 C ALA A 68 32.551 28.175 -6.413 1.00 0.20 C HETATM 1433 O ALA A 68 33.153 27.132 -6.142 1.00 -0.39 O HETATM 1434 N ALA A 68 32.461 28.664 -7.649 1.00 -0.26 N HETATM 1435 CA ALA A 68 33.094 28.009 -8.794 1.00 0.16 C HETATM 1436 C ALA A 68 34.482 28.556 -9.137 1.00 0.21 C HETATM 1437 O ALA A 68 35.049 28.156 -10.154 1.00 -0.39 O HETATM 1438 N ALA A 68 35.010 29.476 -8.322 1.00 -0.26 N HETATM 1439 CA ALA A 68 36.384 29.972 -8.512 1.00 0.13 C HETATM 1440 C ALA A 68 37.376 28.830 -8.709 1.00 0.20 C HETATM 1441 O ALA A 68 37.463 27.931 -7.869 1.00 -0.39 O HETATM 1442 N ALA A 68 38.141 28.871 -9.799 1.00 -0.26 N HETATM 1443 CA ALA A 68 39.131 27.830 -10.056 1.00 0.13 C HETATM 1444 C ALA A 68 40.427 28.373 -10.652 1.00 0.20 C HETATM 1445 O ALA A 68 40.427 29.388 -11.333 1.00 -0.39 O HETATM 1446 N ALA A 68 41.524 27.673 -10.380 1.00 -0.26 N HETATM 1447 CA ALA A 68 42.832 28.027 -10.893 1.00 0.13 C HETATM 1448 CB ALA A 68 44.020 27.730 -9.957 1.00 -0.01 C HETATM 1449 CG ALA A 68 43.795 28.089 -8.506 1.00 -0.05 C HETATM 1450 CD ALA A 68 45.125 28.205 -7.797 1.00 -0.03 C HETATM 1451 CE ALA A 68 44.909 28.421 -6.305 1.00 0.03 C HETATM 1452 NZ ALA A 68 45.965 29.125 -5.637 1.00 -0.29 N HETATM 1453 CH ALA A 68 45.755 29.794 -4.447 1.00 0.17 C HETATM 1454 OH ALA A 68 44.617 29.796 -3.942 1.00 -0.40 O HETATM 1455 CH3 ALA A 68 46.933 30.508 -3.808 1.00 0.03 C HETATM 1456 H37 ALA A 68 47.829 30.367 -4.431 1.00 0.05 H HETATM 1457 H38 ALA A 68 47.114 30.092 -2.806 1.00 0.05 H HETATM 1458 H39 ALA A 68 46.709 31.582 -3.724 1.00 0.05 H HETATM 1459 H40 ALA A 68 46.878 29.132 -6.044 1.00 0.18 H HETATM 1460 H41 ALA A 68 43.980 28.995 -6.174 1.00 0.05 H HETATM 1461 H42 ALA A 68 44.801 27.435 -5.829 1.00 0.05 H HETATM 1462 H43 ALA A 68 45.700 27.280 -7.951 1.00 0.03 H HETATM 1463 H44 ALA A 68 45.684 29.058 -8.210 1.00 0.03 H HETATM 1464 H45 ALA A 68 43.264 29.050 -8.445 1.00 0.03 H HETATM 1465 H46 ALA A 68 43.191 27.305 -8.025 1.00 0.03 H HETATM 1466 H47 ALA A 68 44.237 26.653 -10.012 1.00 0.03 H HETATM 1467 H48 ALA A 68 44.890 28.299 -10.318 1.00 0.03 H HETATM 1468 C ALA A 68 43.173 27.170 -12.112 1.00 0.20 C HETATM 1469 O ALA A 68 42.796 25.996 -12.243 1.00 -0.39 O HETATM 1470 N ALA A 68 43.943 27.769 -13.024 1.00 -0.26 N HETATM 1471 CA ALA A 68 44.463 27.048 -14.187 1.00 0.15 C HETATM 1472 C ALA A 68 45.616 26.107 -13.806 1.00 0.21 C HETATM 1473 O ALA A 68 46.412 26.422 -12.926 1.00 -0.39 O HETATM 1474 N ALA A 68 45.704 24.959 -14.479 1.00 -0.27 N HETATM 1475 CA ALA A 68 46.740 23.963 -14.183 1.00 0.12 C HETATM 1476 C ALA A 68 47.902 23.981 -15.188 1.00 0.06 C HETATM 1477 O ALA A 68 48.072 24.931 -15.958 1.00 -0.57 O HETATM 1478 OXT ALA A 68 48.705 23.046 -15.260 1.00 -0.57 O HETATM 1479 CB ALA A 68 46.150 22.524 -14.144 1.00 0.09 C HETATM 1480 OG1 ALA A 68 45.415 22.269 -15.349 1.00 -0.39 O HETATM 1481 H59 ALA A 68 45.057 21.390 -15.320 1.00 0.21 H HETATM 1482 CG2 ALA A 68 45.229 22.344 -12.942 1.00 -0.04 C HETATM 1483 H60 ALA A 68 44.827 21.320 -12.939 1.00 0.03 H HETATM 1484 H61 ALA A 68 44.400 23.064 -13.005 1.00 0.03 H HETATM 1485 H62 ALA A 68 45.797 22.518 -12.016 1.00 0.03 H HETATM 1486 H58 ALA A 68 46.978 21.804 -14.068 1.00 0.06 H HETATM 1487 H57 ALA A 68 47.147 24.198 -13.188 1.00 0.08 H HETATM 1488 H56 ALA A 68 45.044 24.771 -15.207 1.00 0.19 H HETATM 1489 CB ALA A 68 44.929 28.031 -15.264 1.00 0.08 C HETATM 1490 OG ALA A 68 45.559 27.341 -16.333 1.00 -0.39 O HETATM 1491 H55 ALA A 68 45.841 27.967 -16.990 1.00 0.21 H HETATM 1492 H53 ALA A 68 45.644 28.740 -14.821 1.00 0.06 H HETATM 1493 H54 ALA A 68 44.059 28.581 -15.652 1.00 0.06 H HETATM 1494 H52 ALA A 68 43.647 26.439 -14.603 1.00 0.08 H HETATM 1495 H51 ALA A 68 44.170 28.736 -12.909 1.00 0.19 H HETATM 1496 H49 ALA A 68 42.821 29.096 -11.154 1.00 0.08 H HETATM 1497 H50 ALA A 68 41.443 26.866 -9.795 1.00 0.19 H HETATM 1498 CB ALA A 68 38.554 26.757 -10.982 1.00 -0.01 C HETATM 1499 CG ALA A 68 37.411 25.961 -10.390 1.00 -0.02 C HETATM 1500 CD ALA A 68 37.077 24.758 -11.254 1.00 0.06 C HETATM 1501 NE ALA A 68 38.131 23.753 -11.220 1.00 -0.27 N HETATM 1502 CZ ALA A 68 38.264 22.853 -10.250 1.00 0.29 C HETATM 1503 NH1 ALA A 68 37.410 22.841 -9.233 1.00 -0.28 N HETATM 1504 H33 ALA A 68 37.513 22.144 -8.482 1.00 0.26 H HETATM 1505 H34 ALA A 68 36.644 23.529 -9.195 1.00 0.26 H HETATM 1506 NH2 ALA A 68 39.245 21.965 -10.300 1.00 -0.28 N HETATM 1507 H35 ALA A 68 39.908 21.974 -11.088 1.00 0.26 H HETATM 1508 H36 ALA A 68 39.345 21.266 -9.550 1.00 0.26 H HETATM 1509 H32 ALA A 68 38.813 23.739 -11.992 1.00 0.26 H HETATM 1510 H30 ALA A 68 36.940 25.094 -12.293 1.00 0.07 H HETATM 1511 H31 ALA A 68 36.143 24.306 -10.888 1.00 0.07 H HETATM 1512 H28 ALA A 68 36.524 26.607 -10.316 1.00 0.03 H HETATM 1513 H29 ALA A 68 37.697 25.614 -9.386 1.00 0.03 H HETATM 1514 H26 ALA A 68 39.362 26.057 -11.241 1.00 0.03 H HETATM 1515 H27 ALA A 68 38.191 27.251 -11.895 1.00 0.03 H HETATM 1516 H25 ALA A 68 39.376 27.359 -9.092 1.00 0.08 H HETATM 1517 H24 ALA A 68 38.036 29.624 -10.449 1.00 0.19 H HETATM 1518 CB ALA A 68 36.822 30.807 -7.333 1.00 -0.02 C HETATM 1519 H21 ALA A 68 37.849 31.165 -7.498 1.00 0.03 H HETATM 1520 H22 ALA A 68 36.789 30.196 -6.419 1.00 0.03 H HETATM 1521 H23 ALA A 68 36.147 31.668 -7.223 1.00 0.03 H HETATM 1522 H20 ALA A 68 36.397 30.603 -9.413 1.00 0.08 H HETATM 1523 H19 ALA A 68 34.460 29.835 -7.568 1.00 0.19 H HETATM 1524 CB ALA A 68 32.225 28.128 -10.064 1.00 0.09 C HETATM 1525 OG1 ALA A 68 32.144 29.506 -10.453 1.00 -0.39 O HETATM 1526 H15 ALA A 68 31.752 30.010 -9.749 1.00 0.21 H HETATM 1527 CG2 ALA A 68 30.832 27.587 -9.808 1.00 -0.03 C HETATM 1528 H16 ALA A 68 30.229 27.680 -10.723 1.00 0.03 H HETATM 1529 H17 ALA A 68 30.359 28.160 -8.997 1.00 0.03 H HETATM 1530 H18 ALA A 68 30.898 26.528 -9.518 1.00 0.03 H HETATM 1531 H14 ALA A 68 32.691 27.549 -10.875 1.00 0.06 H HETATM 1532 H13 ALA A 68 33.201 26.944 -8.542 1.00 0.08 H HETATM 1533 H12 ALA A 68 31.944 29.507 -7.799 1.00 0.19 H HETATM 1534 CB ALA A 68 30.514 28.489 -4.952 1.00 0.00 C HETATM 1535 CG ALA A 68 29.994 29.071 -3.648 1.00 0.04 C HETATM 1536 CD ALA A 68 28.494 28.982 -3.524 1.00 0.17 C HETATM 1537 OE1 ALA A 68 27.749 29.553 -4.333 1.00 -0.40 O HETATM 1538 NE2 ALA A 68 28.034 28.274 -2.500 1.00 -0.30 N HETATM 1539 H10 ALA A 68 27.048 28.177 -2.362 1.00 0.18 H HETATM 1540 H11 ALA A 68 28.673 27.838 -1.866 1.00 0.18 H HETATM 1541 H8 ALA A 68 30.289 30.129 -3.594 1.00 0.05 H HETATM 1542 H9 ALA A 68 30.449 28.520 -2.812 1.00 0.05 H HETATM 1543 H6 ALA A 68 30.562 27.394 -4.858 1.00 0.03 H HETATM 1544 H7 ALA A 68 29.821 28.758 -5.763 1.00 0.03 H HETATM 1545 H5 ALA A 68 32.540 28.920 -4.404 1.00 0.08 H HETATM 1546 H4 ALA A 68 30.925 30.868 -5.745 1.00 0.19 H HETATM 1547 H1 ALA A 68 31.664 32.899 -6.005 1.00 0.05 H HETATM 1548 H2 ALA A 68 33.168 32.938 -6.986 1.00 0.05 H HETATM 1549 H3 ALA A 68 33.244 33.217 -5.213 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1427 1428 1547 1548 1549 CONECT 1428 1427 1429 1430 CONECT 1429 1428 CONECT 1430 1428 1431 1546 CONECT 1431 1430 1432 1534 1545 CONECT 1432 1431 1433 1434 CONECT 1433 1432 CONECT 1434 1432 1435 1533 CONECT 1435 1434 1436 1524 1532 CONECT 1436 1435 1437 1438 CONECT 1437 1436 CONECT 1438 1436 1439 1523 CONECT 1439 1438 1440 1518 1522 CONECT 1440 1439 1441 1442 CONECT 1441 1440 CONECT 1442 1440 1443 1517 CONECT 1443 1442 1444 1498 1516 CONECT 1444 1443 1445 1446 CONECT 1445 1444 CONECT 1446 1444 1447 1497 CONECT 1447 1446 1448 1468 1496 CONECT 1448 1447 1449 1466 1467 CONECT 1449 1448 1450 1464 1465 CONECT 1450 1449 1451 1462 1463 CONECT 1451 1450 1452 1460 1461 CONECT 1452 1451 1453 1459 CONECT 1453 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 1456 1457 1458 CONECT 1456 1455 CONECT 1457 1455 CONECT 1458 1455 CONECT 1459 1452 CONECT 1460 1451 CONECT 1461 1451 CONECT 1462 1450 CONECT 1463 1450 CONECT 1464 1449 CONECT 1465 1449 CONECT 1466 1448 CONECT 1467 1448 CONECT 1468 1447 1469 1470 CONECT 1469 1468 CONECT 1470 1468 1471 1495 CONECT 1471 1470 1472 1489 1494 CONECT 1472 1471 1473 1474 CONECT 1473 1472 CONECT 1474 1472 1475 1488 CONECT 1475 1474 1476 1479 1487 CONECT 1476 1475 1477 1478 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1475 1480 1482 1486 CONECT 1480 1479 1481 CONECT 1481 1480 CONECT 1482 1479 1483 1484 1485 CONECT 1483 1482 CONECT 1484 1482 CONECT 1485 1482 CONECT 1486 1479 CONECT 1487 1475 CONECT 1488 1474 CONECT 1489 1471 1490 1492 1493 CONECT 1490 1489 1491 CONECT 1491 1490 CONECT 1492 1489 CONECT 1493 1489 CONECT 1494 1471 CONECT 1495 1470 CONECT 1496 1447 CONECT 1497 1446 CONECT 1498 1443 1499 1514 1515 CONECT 1499 1498 1500 1512 1513 CONECT 1500 1499 1501 1510 1511 CONECT 1501 1500 1502 1509 CONECT 1502 1501 1503 1506 CONECT 1503 1502 1504 1505 CONECT 1504 1503 CONECT 1505 1503 CONECT 1506 1502 1507 1508 CONECT 1507 1506 CONECT 1508 1506 CONECT 1509 1501 CONECT 1510 1500 CONECT 1511 1500 CONECT 1512 1499 CONECT 1513 1499 CONECT 1514 1498 CONECT 1515 1498 CONECT 1516 1443 CONECT 1517 1442 CONECT 1518 1439 1519 1520 1521 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1518 CONECT 1522 1439 CONECT 1523 1438 CONECT 1524 1435 1525 1527 1531 CONECT 1525 1524 1526 CONECT 1526 1525 CONECT 1527 1524 1528 1529 1530 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1527 CONECT 1531 1524 CONECT 1532 1435 CONECT 1533 1434 CONECT 1534 1431 1535 1543 1544 CONECT 1535 1534 1536 1541 1542 CONECT 1536 1535 1537 1538 CONECT 1537 1536 CONECT 1538 1536 1539 1540 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1535 CONECT 1542 1535 CONECT 1543 1534 CONECT 1544 1534 CONECT 1545 1431 CONECT 1546 1430 CONECT 1547 1427 CONECT 1548 1427 CONECT 1549 1427 MASTER 0 0 0 0 0 0 0 0 1548 1 127 11 END
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Protein
Pocket-Ligand
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Related entries of code: 5d7e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5iok
RCSB PDB
PDBbind
142aa, >5IOK_1|Chain... *
6min
RCSB PDB
PDBbind
142aa, >6MIN_1|Chain... at 99%
6miq
RCSB PDB
PDBbind
142aa, >6MIQ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
5d7e
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Taf14 YEATS domain
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=150.6uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Genes Dev. Vol. 29: pp. 1795-1800
Ligand Properties
Formula
C
3
5
H
6
3
N
1
2
O
1
4
Molecular Weight
875.947
Exact Mass
875.459
No. of atoms
124
No. of bonds
123
Polar Surface Area
439.89
LOGP Value
-3.62 (
Computed with XLOGP3
)
-3.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 39
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)C)CCC(=O)N)C)CCC[NH+]=C(N)N)CCCCNC(=O)C
InChI String
InChI=1S/C35H62N12O14/c1-16(41-33(59)26(17(2)49)46-31(57)23(42-20(5)52)11-12-25(36)53)28(54)43-22(10-8-14-40-35(37)38)29(55)44-21(9-6-7-13-39-19(4)51)30(56)45-24(15-48)32(58)47-27(18(3)50)34(60)61/h16-18,21-24,26-27,48-50H,6-15H2,1-5H3,(H2,36,53)(H,39,51)(H,41,59)(H,42,52)(H,43,54)(H,44,55)(H,45,56)(H,46,57)(H,47,58)(H,60,61)(H4,37,38,40)/p+1/t16-,17+,18+,21-,22-,23-,24-,26-,27-/m0/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):
P35189
P61830
Entrez Gene ID
NCBI Entrez Gene ID:
855974
852295
855700
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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