Browse entries in the PDBbind-CN Database
HEADER 6I68_COMPLEX COMPND 6I68_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 SER GLY LYS VAL VAL LYS PHE SER TYR MET TRP THR ILE SEQRES 2 A 141 ASN ASN PHE SER PHE CYS ARG GLU GLU MET GLY GLU VAL SEQRES 3 A 141 ILE LYS SER SER THR PHE SER SER GLY ALA ASN ASP LYS SEQRES 4 A 141 LEU LYS TRP CYS LEU ARG VAL ASN PRO LYS GLY LEU ASP SEQRES 5 A 141 GLU GLU SER LYS ASP TYR LEU SER LEU TYR LEU LEU LEU SEQRES 6 A 141 VAL SER CYS PRO LYS SER GLU VAL ARG ALA LYS PHE LYS SEQRES 7 A 141 PHE SER ILE LEU ASN ALA LYS GLY GLU GLU THR LYS ALA SEQRES 8 A 141 VAL GLU SER GLN ARG ALA TYR ARG PHE VAL GLN GLY LYS SEQRES 9 A 141 ASP TRP GLY PHE LYS LYS PHE ILE ARG ARG ASP PHE LEU SEQRES 10 A 141 LEU ASP GLU ALA ASN GLY LEU LEU PRO ASP ASP LYS LEU SEQRES 11 A 141 THR LEU PHE CYS GLU VAL SER VAL VAL GLN ASP HET LYS A 287 100 ATOM 1 N SER A 26 12.496 20.773 51.886 1.00 72.77 N ATOM 2 CA SER A 26 13.258 21.931 51.433 1.00 72.37 C ATOM 3 C SER A 26 13.468 21.900 49.919 1.00 73.56 C ATOM 4 O SER A 26 13.899 22.889 49.323 1.00 77.97 O ATOM 5 CB SER A 26 14.610 21.996 52.151 1.00 69.65 C ATOM 6 OG SER A 26 15.255 20.737 52.124 1.00 66.71 O ATOM 7 HG SER A 26 16.125 20.803 52.593 1.00 0.00 H ATOM 8 HN3 SER A 26 13.011 19.903 51.640 1.00 0.00 H ATOM 9 HN2 SER A 26 11.565 20.769 51.422 1.00 0.00 H ATOM 10 HN1 SER A 26 12.371 20.824 52.917 1.00 0.00 H ATOM 11 N GLY A 27 13.157 20.761 49.300 1.00 66.93 N ATOM 12 CA GLY A 27 13.387 20.602 47.877 1.00 60.63 C ATOM 13 C GLY A 27 14.834 20.415 47.486 1.00 55.83 C ATOM 14 O GLY A 27 15.144 20.422 46.291 1.00 54.02 O ATOM 15 H GLY A 27 12.744 19.977 49.844 1.00 0.00 H ATOM 16 N LYS A 28 15.731 20.258 48.458 1.00 52.66 N ATOM 17 CA LYS A 28 17.137 20.016 48.168 1.00 51.18 C ATOM 18 C LYS A 28 17.302 18.754 47.329 1.00 45.11 C ATOM 19 O LYS A 28 16.683 17.720 47.601 1.00 46.33 O ATOM 20 CB LYS A 28 17.921 19.884 49.474 1.00 50.77 C ATOM 21 CG LYS A 28 19.411 19.637 49.292 1.00 45.00 C ATOM 22 H LYS A 28 15.419 20.310 49.449 1.00 0.00 H ATOM 23 N VAL A 29 18.150 18.839 46.304 1.00 36.33 N ATOM 24 CA VAL A 29 18.375 17.694 45.430 1.00 35.45 C ATOM 25 C VAL A 29 19.081 16.592 46.206 1.00 33.85 C ATOM 26 O VAL A 29 19.984 16.846 47.014 1.00 31.13 O ATOM 27 CB VAL A 29 19.181 18.101 44.183 1.00 32.43 C ATOM 28 CG1 VAL A 29 20.583 18.560 44.559 1.00 40.09 C ATOM 29 CG2 VAL A 29 19.246 16.948 43.208 1.00 30.88 C ATOM 30 H VAL A 29 18.656 19.730 46.126 1.00 0.00 H ATOM 31 N VAL A 30 18.667 15.356 45.978 1.00 28.99 N ATOM 32 CA VAL A 30 19.236 14.220 46.683 1.00 29.16 C ATOM 33 C VAL A 30 19.900 13.312 45.655 1.00 26.06 C ATOM 34 O VAL A 30 19.251 12.869 44.698 1.00 27.35 O ATOM 35 CB VAL A 30 18.164 13.483 47.495 1.00 31.45 C ATOM 36 CG1 VAL A 30 18.729 12.240 48.083 1.00 31.49 C ATOM 37 CG2 VAL A 30 17.626 14.404 48.596 1.00 39.40 C ATOM 38 H VAL A 30 17.916 15.194 45.277 1.00 0.00 H ATOM 39 N LYS A 31 21.193 13.038 45.846 1.00 22.29 N ATOM 40 CA LYS A 31 21.965 12.211 44.927 1.00 21.76 C ATOM 41 C LYS A 31 22.438 10.955 45.646 1.00 22.03 C ATOM 42 O LYS A 31 22.856 11.015 46.811 1.00 24.38 O ATOM 43 CB LYS A 31 23.165 12.998 44.384 1.00 29.10 C ATOM 44 CG LYS A 31 23.782 12.452 43.126 1.00 39.11 C ATOM 45 CD LYS A 31 24.686 13.513 42.484 1.00 46.13 C ATOM 46 H LYS A 31 21.668 13.430 46.684 1.00 0.00 H ATOM 47 N PHE A 32 22.344 9.811 44.968 1.00 20.70 N ATOM 48 CA PHE A 32 22.784 8.566 45.586 1.00 21.81 C ATOM 49 C PHE A 32 23.045 7.543 44.494 1.00 22.14 C ATOM 50 O PHE A 32 22.574 7.684 43.366 1.00 20.74 O ATOM 51 CB PHE A 32 21.768 8.039 46.607 1.00 18.96 C ATOM 52 CG PHE A 32 20.353 7.923 46.067 1.00 24.12 C ATOM 53 CD1 PHE A 32 19.543 9.044 45.986 1.00 27.60 C ATOM 54 CD2 PHE A 32 19.856 6.704 45.634 1.00 26.53 C ATOM 55 CE1 PHE A 32 18.251 8.956 45.489 1.00 32.75 C ATOM 56 CE2 PHE A 32 18.567 6.605 45.138 1.00 27.60 C ATOM 57 CZ PHE A 32 17.767 7.731 45.066 1.00 30.86 C ATOM 58 H PHE A 32 21.958 9.807 44.002 1.00 0.00 H ATOM 59 N SER A 33 23.821 6.514 44.839 1.00 17.33 N ATOM 60 CA SER A 33 24.223 5.499 43.876 1.00 18.18 C ATOM 61 C SER A 33 23.849 4.123 44.413 1.00 20.21 C ATOM 62 O SER A 33 23.825 3.900 45.624 1.00 19.98 O ATOM 63 CB SER A 33 25.734 5.564 43.624 1.00 22.96 C ATOM 64 OG SER A 33 26.074 6.826 43.049 1.00 29.07 O ATOM 65 HG SER A 33 25.813 7.551 43.670 1.00 0.00 H ATOM 66 H SER A 33 24.148 6.435 45.823 1.00 0.00 H ATOM 67 N TYR A 34 23.571 3.204 43.507 1.00 16.09 N ATOM 68 CA TYR A 34 23.260 1.824 43.856 1.00 17.88 C ATOM 69 C TYR A 34 23.977 0.909 42.883 1.00 17.89 C ATOM 70 O TYR A 34 24.067 1.220 41.690 1.00 17.63 O ATOM 71 CB TYR A 34 21.726 1.575 43.772 1.00 15.33 C ATOM 72 CG TYR A 34 21.316 0.132 43.942 1.00 18.60 C ATOM 73 CD1 TYR A 34 21.312 -0.460 45.204 1.00 19.32 C ATOM 74 CD2 TYR A 34 20.923 -0.641 42.841 1.00 21.04 C ATOM 75 CE1 TYR A 34 20.913 -1.795 45.371 1.00 22.80 C ATOM 76 CE2 TYR A 34 20.524 -1.959 42.996 1.00 18.44 C ATOM 77 CZ TYR A 34 20.532 -2.534 44.270 1.00 20.05 C ATOM 78 OH TYR A 34 20.144 -3.851 44.425 1.00 20.57 O ATOM 79 HH TYR A 34 20.206 -4.102 45.381 1.00 0.00 H ATOM 80 H TYR A 34 23.574 3.476 42.503 1.00 0.00 H ATOM 81 N MET A 35 24.481 -0.212 43.392 1.00 18.35 N ATOM 82 CA MET A 35 25.205 -1.186 42.594 1.00 18.43 C ATOM 83 C MET A 35 24.720 -2.575 42.957 1.00 18.46 C ATOM 84 O MET A 35 24.359 -2.838 44.106 1.00 17.09 O ATOM 85 CB MET A 35 26.727 -1.132 42.849 1.00 24.51 C ATOM 86 CG MET A 35 27.439 0.006 42.247 1.00 37.61 C ATOM 87 SD MET A 35 28.395 0.732 43.575 1.00 25.75 S ATOM 88 CE MET A 35 27.205 2.005 44.065 1.00 23.69 C ATOM 89 H MET A 35 24.351 -0.399 44.407 1.00 0.00 H ATOM 90 N TRP A 36 24.770 -3.472 41.978 1.00 17.08 N ATOM 91 CA TRP A 36 24.115 -4.770 42.074 1.00 21.03 C ATOM 92 C TRP A 36 24.895 -5.761 41.227 1.00 19.54 C ATOM 93 O TRP A 36 25.065 -5.535 40.024 1.00 21.56 O ATOM 94 CB TRP A 36 22.682 -4.630 41.565 1.00 29.55 C ATOM 95 CG TRP A 36 21.919 -5.860 41.305 1.00 26.65 C ATOM 96 CD1 TRP A 36 22.009 -7.050 41.951 1.00 31.70 C ATOM 97 CD2 TRP A 36 20.890 -6.002 40.332 1.00 26.08 C ATOM 98 NE1 TRP A 36 21.082 -7.934 41.437 1.00 29.04 N ATOM 99 CE2 TRP A 36 20.388 -7.307 40.439 1.00 27.38 C ATOM 100 CE3 TRP A 36 20.346 -5.141 39.373 1.00 32.14 C ATOM 101 CZ2 TRP A 36 19.363 -7.780 39.621 1.00 32.09 C ATOM 102 CZ3 TRP A 36 19.332 -5.605 38.567 1.00 29.96 C ATOM 103 CH2 TRP A 36 18.847 -6.914 38.697 1.00 35.81 C ATOM 104 HE1 TRP A 36 20.936 -8.913 41.755 1.00 0.00 H ATOM 105 H TRP A 36 25.296 -3.239 41.112 1.00 0.00 H ATOM 106 N THR A 37 25.349 -6.858 41.824 1.00 18.49 N ATOM 107 CA THR A 37 26.093 -7.867 41.077 1.00 19.17 C ATOM 108 C THR A 37 25.199 -9.072 40.809 1.00 24.17 C ATOM 109 O THR A 37 24.665 -9.675 41.751 1.00 21.20 O ATOM 110 CB THR A 37 27.354 -8.305 41.829 1.00 20.88 C ATOM 111 OG1 THR A 37 28.260 -7.197 41.917 1.00 22.29 O ATOM 112 CG2 THR A 37 28.033 -9.456 41.073 1.00 19.41 C ATOM 113 HG1 THR A 37 28.503 -6.898 41.005 1.00 0.00 H ATOM 114 H THR A 37 25.171 -7.000 42.839 1.00 0.00 H ATOM 115 N ILE A 38 25.046 -9.423 39.535 1.00 21.20 N ATOM 116 CA ILE A 38 24.322 -10.627 39.123 1.00 23.91 C ATOM 117 C ILE A 38 25.343 -11.720 38.829 1.00 22.28 C ATOM 118 O ILE A 38 26.199 -11.553 37.956 1.00 23.66 O ATOM 119 CB ILE A 38 23.435 -10.361 37.895 1.00 26.29 C ATOM 120 CG1 ILE A 38 22.323 -9.360 38.235 1.00 32.71 C ATOM 121 CG2 ILE A 38 22.857 -11.673 37.350 1.00 28.48 C ATOM 122 CD1 ILE A 38 21.950 -8.461 37.064 1.00 30.43 C ATOM 123 H ILE A 38 25.459 -8.815 38.799 1.00 0.00 H ATOM 124 N ASN A 39 25.262 -12.838 39.553 1.00 21.24 N ATOM 125 CA ASN A 39 26.200 -13.944 39.350 1.00 22.15 C ATOM 126 C ASN A 39 25.841 -14.751 38.109 1.00 32.29 C ATOM 127 O ASN A 39 24.677 -14.819 37.703 1.00 26.15 O ATOM 128 CB ASN A 39 26.222 -14.873 40.569 1.00 27.50 C ATOM 129 CG ASN A 39 26.566 -14.131 41.863 1.00 27.55 C ATOM 130 OD1 ASN A 39 27.293 -13.152 41.831 1.00 25.60 O ATOM 131 ND2 ASN A 39 26.055 -14.609 42.998 1.00 26.50 N ATOM 132 HD22 ASN A 39 25.439 -15.447 42.979 1.00 0.00 H ATOM 133 HD21 ASN A 39 26.272 -14.144 43.903 1.00 0.00 H ATOM 134 H ASN A 39 24.519 -12.925 40.275 1.00 0.00 H ATOM 135 N ASN A 40 26.868 -15.353 37.500 1.00 28.64 N ATOM 136 CA ASN A 40 26.682 -16.326 36.417 1.00 28.27 C ATOM 137 C ASN A 40 25.835 -15.758 35.289 1.00 32.33 C ATOM 138 O ASN A 40 24.949 -16.433 34.766 1.00 33.38 O ATOM 139 CB ASN A 40 26.054 -17.604 36.956 1.00 32.55 C ATOM 140 CG ASN A 40 26.901 -18.238 38.022 1.00 40.38 C ATOM 141 OD1 ASN A 40 28.064 -18.546 37.783 1.00 39.00 O ATOM 142 ND2 ASN A 40 26.342 -18.403 39.214 1.00 38.12 N ATOM 143 HD22 ASN A 40 25.351 -18.126 39.367 1.00 0.00 H ATOM 144 HD21 ASN A 40 26.895 -18.810 39.996 1.00 0.00 H ATOM 145 H ASN A 40 27.835 -15.123 37.805 1.00 0.00 H ATOM 146 N PHE A 41 26.102 -14.501 34.915 1.00 29.77 N ATOM 147 CA PHE A 41 25.167 -13.794 34.045 1.00 30.04 C ATOM 148 C PHE A 41 24.979 -14.529 32.729 1.00 34.82 C ATOM 149 O PHE A 41 23.859 -14.616 32.215 1.00 32.05 O ATOM 150 CB PHE A 41 25.629 -12.363 33.762 1.00 26.16 C ATOM 151 CG PHE A 41 24.734 -11.644 32.793 1.00 31.23 C ATOM 152 CD1 PHE A 41 23.534 -11.117 33.214 1.00 33.06 C ATOM 153 CD2 PHE A 41 25.066 -11.551 31.451 1.00 35.21 C ATOM 154 CE1 PHE A 41 22.692 -10.468 32.330 1.00 37.32 C ATOM 155 CE2 PHE A 41 24.219 -10.911 30.552 1.00 34.81 C ATOM 156 CZ PHE A 41 23.034 -10.371 30.993 1.00 35.48 C ATOM 157 H PHE A 41 26.970 -14.031 35.242 1.00 0.00 H ATOM 158 N SER A 42 26.065 -15.070 32.171 1.00 31.69 N ATOM 159 CA SER A 42 25.957 -15.791 30.908 1.00 36.97 C ATOM 160 C SER A 42 25.019 -16.991 30.993 1.00 38.86 C ATOM 161 O SER A 42 24.568 -17.474 29.951 1.00 44.67 O ATOM 162 CB SER A 42 27.355 -16.205 30.427 1.00 31.58 C ATOM 163 OG SER A 42 27.810 -17.381 31.060 1.00 34.41 O ATOM 164 HG SER A 42 27.852 -17.233 32.038 1.00 0.00 H ATOM 165 H SER A 42 26.990 -14.977 32.638 1.00 0.00 H ATOM 166 N PHE A 43 24.665 -17.448 32.194 1.00 38.82 N ATOM 167 CA PHE A 43 23.783 -18.599 32.352 1.00 42.38 C ATOM 168 C PHE A 43 22.349 -18.216 32.718 1.00 46.20 C ATOM 169 O PHE A 43 21.535 -19.104 32.996 1.00 44.60 O ATOM 170 CB PHE A 43 24.350 -19.561 33.400 1.00 43.61 C ATOM 171 CG PHE A 43 25.605 -20.267 32.959 1.00 49.23 C ATOM 172 CD1 PHE A 43 26.834 -19.627 33.009 1.00 48.72 C ATOM 173 CD2 PHE A 43 25.554 -21.568 32.485 1.00 57.35 C ATOM 174 CE1 PHE A 43 27.987 -20.269 32.603 1.00 54.48 C ATOM 175 CE2 PHE A 43 26.700 -22.216 32.075 1.00 58.73 C ATOM 176 CZ PHE A 43 27.919 -21.569 32.135 1.00 58.57 C ATOM 177 H PHE A 43 25.028 -16.970 33.043 1.00 0.00 H ATOM 178 N CYS A 44 22.014 -16.928 32.716 1.00 43.50 N ATOM 179 CA CYS A 44 20.651 -16.515 33.035 1.00 47.77 C ATOM 180 C CYS A 44 19.691 -17.042 31.975 1.00 50.40 C ATOM 181 O CYS A 44 19.950 -16.924 30.775 1.00 51.76 O ATOM 182 CB CYS A 44 20.560 -14.990 33.135 1.00 45.62 C ATOM 183 SG CYS A 44 21.405 -14.293 34.582 1.00 45.88 S ATOM 184 H CYS A 44 22.730 -16.210 32.485 1.00 0.00 H ATOM 185 N ARG A 45 18.591 -17.642 32.416 1.00 50.90 N ATOM 186 CA ARG A 45 17.669 -18.307 31.501 1.00 56.07 C ATOM 187 C ARG A 45 16.530 -17.410 31.035 1.00 57.01 C ATOM 188 O ARG A 45 15.668 -17.868 30.279 1.00 61.25 O ATOM 189 CB ARG A 45 17.089 -19.567 32.157 1.00 55.66 C ATOM 190 CG ARG A 45 18.093 -20.701 32.342 1.00 56.49 C ATOM 191 CD ARG A 45 17.440 -21.921 32.985 1.00 55.35 C ATOM 192 H ARG A 45 18.382 -17.638 33.435 1.00 0.00 H ATOM 193 N GLU A 46 16.497 -16.157 31.474 1.00 49.03 N ATOM 194 CA GLU A 46 15.441 -15.247 31.060 1.00 48.19 C ATOM 195 C GLU A 46 15.463 -15.070 29.546 1.00 51.32 C ATOM 196 O GLU A 46 16.516 -14.829 28.951 1.00 56.23 O ATOM 197 CB GLU A 46 15.621 -13.896 31.762 1.00 43.06 C ATOM 198 CG GLU A 46 15.059 -13.847 33.171 1.00 43.24 C ATOM 199 CD GLU A 46 15.959 -14.527 34.195 1.00 49.98 C ATOM 200 OE1 GLU A 46 17.113 -14.864 33.856 1.00 51.48 O ATOM 201 OE2 GLU A 46 15.509 -14.728 35.343 1.00 50.84 O ATOM 202 H GLU A 46 17.237 -15.822 32.123 1.00 0.00 H ATOM 203 N GLU A 47 14.303 -15.208 28.913 1.00 49.92 N ATOM 204 CA GLU A 47 14.206 -14.914 27.494 1.00 51.20 C ATOM 205 C GLU A 47 13.555 -13.544 27.315 1.00 52.92 C ATOM 206 O GLU A 47 13.211 -12.863 28.285 1.00 45.37 O ATOM 207 CB GLU A 47 13.445 -16.015 26.750 1.00 56.72 C ATOM 208 CG GLU A 47 14.294 -16.747 25.707 1.00 63.54 C ATOM 209 CD GLU A 47 14.744 -15.849 24.557 1.00 76.17 C ATOM 210 OE1 GLU A 47 14.008 -14.899 24.203 1.00 79.42 O ATOM 211 OE2 GLU A 47 15.837 -16.097 24.000 1.00 81.45 O ATOM 212 H GLU A 47 13.462 -15.527 29.435 1.00 0.00 H ATOM 213 N MET A 48 13.393 -13.143 26.054 1.00 55.47 N ATOM 214 CA MET A 48 12.932 -11.798 25.720 1.00 53.77 C ATOM 215 C MET A 48 11.691 -11.425 26.519 1.00 50.06 C ATOM 216 O MET A 48 10.725 -12.189 26.589 1.00 44.39 O ATOM 217 CB MET A 48 12.643 -11.703 24.218 1.00 58.18 C ATOM 218 CG MET A 48 11.977 -10.404 23.781 1.00 61.97 C ATOM 219 SD MET A 48 11.602 -10.379 22.010 1.00 67.20 S ATOM 220 CE MET A 48 10.336 -11.645 21.909 1.00 66.62 C ATOM 221 H MET A 48 13.602 -13.809 25.283 1.00 0.00 H ATOM 222 N GLY A 49 11.741 -10.256 27.156 1.00 47.76 N ATOM 223 CA GLY A 49 10.627 -9.767 27.933 1.00 47.36 C ATOM 224 C GLY A 49 10.581 -10.236 29.369 1.00 45.02 C ATOM 225 O GLY A 49 9.797 -9.689 30.152 1.00 50.69 O ATOM 226 H GLY A 49 12.605 -9.681 27.092 1.00 0.00 H ATOM 227 N GLU A 50 11.370 -11.239 29.741 1.00 41.78 N ATOM 228 CA GLU A 50 11.454 -11.620 31.141 1.00 40.84 C ATOM 229 C GLU A 50 12.420 -10.686 31.872 1.00 35.18 C ATOM 230 O GLU A 50 13.297 -10.070 31.265 1.00 33.77 O ATOM 231 CB GLU A 50 11.877 -13.080 31.273 1.00 46.08 C ATOM 232 CG GLU A 50 10.903 -14.028 30.572 1.00 54.49 C ATOM 233 CD GLU A 50 11.241 -15.489 30.785 1.00 61.38 C ATOM 234 OE1 GLU A 50 12.278 -15.943 30.256 1.00 63.81 O ATOM 235 OE2 GLU A 50 10.471 -16.182 31.482 1.00 66.88 O ATOM 236 H GLU A 50 11.928 -11.752 29.029 1.00 0.00 H ATOM 237 N VAL A 51 12.245 -10.584 33.190 1.00 36.01 N ATOM 238 CA VAL A 51 12.870 -9.528 33.979 1.00 32.12 C ATOM 239 C VAL A 51 13.652 -10.134 35.139 1.00 28.21 C ATOM 240 O VAL A 51 13.236 -11.138 35.731 1.00 31.81 O ATOM 241 CB VAL A 51 11.808 -8.532 34.494 1.00 41.83 C ATOM 242 CG1 VAL A 51 10.855 -9.209 35.471 1.00 43.41 C ATOM 243 CG2 VAL A 51 12.468 -7.330 35.139 1.00 45.48 C ATOM 244 H VAL A 51 11.642 -11.281 33.672 1.00 0.00 H ATOM 245 N ILE A 52 14.801 -9.532 35.449 1.00 27.02 N ATOM 246 CA ILE A 52 15.497 -9.743 36.713 1.00 28.78 C ATOM 247 C ILE A 52 15.370 -8.462 37.525 1.00 28.47 C ATOM 248 O ILE A 52 15.655 -7.375 37.011 1.00 27.36 O ATOM 249 CB ILE A 52 16.976 -10.106 36.507 1.00 35.18 C ATOM 250 CG1 ILE A 52 17.116 -11.273 35.532 1.00 45.90 C ATOM 251 CG2 ILE A 52 17.617 -10.449 37.855 1.00 35.86 C ATOM 252 CD1 ILE A 52 18.514 -11.861 35.488 1.00 48.81 C ATOM 253 H ILE A 52 15.221 -8.880 34.756 1.00 0.00 H ATOM 254 N LYS A 53 14.952 -8.589 38.786 1.00 27.00 N ATOM 255 CA LYS A 53 14.704 -7.453 39.668 1.00 27.50 C ATOM 256 C LYS A 53 15.806 -7.326 40.716 1.00 32.45 C ATOM 257 O LYS A 53 16.233 -8.321 41.308 1.00 30.98 O ATOM 258 CB LYS A 53 13.357 -7.598 40.381 1.00 31.10 C ATOM 259 CG LYS A 53 12.149 -7.585 39.454 1.00 34.74 C ATOM 260 CD LYS A 53 10.867 -7.903 40.217 1.00 45.79 C ATOM 261 CE LYS A 53 9.637 -7.571 39.387 1.00 53.91 C ATOM 262 H LYS A 53 14.795 -9.547 39.159 1.00 0.00 H ATOM 263 N SER A 54 16.249 -6.096 40.960 1.00 28.83 N ATOM 264 CA SER A 54 17.212 -5.846 42.018 1.00 23.73 C ATOM 265 C SER A 54 16.504 -5.784 43.371 1.00 27.21 C ATOM 266 O SER A 54 15.283 -5.953 43.482 1.00 27.61 O ATOM 267 CB SER A 54 17.966 -4.544 41.758 1.00 22.76 C ATOM 268 OG SER A 54 17.182 -3.429 42.158 1.00 21.18 O ATOM 269 HG SER A 54 16.981 -3.498 43.125 1.00 0.00 H ATOM 270 H SER A 54 15.901 -5.302 40.385 1.00 0.00 H ATOM 271 N SER A 55 17.281 -5.523 44.417 1.00 25.26 N ATOM 272 CA SER A 55 16.684 -5.170 45.690 1.00 23.45 C ATOM 273 C SER A 55 16.257 -3.707 45.659 1.00 24.13 C ATOM 274 O SER A 55 16.633 -2.947 44.763 1.00 21.08 O ATOM 275 CB SER A 55 17.673 -5.406 46.831 1.00 26.86 C ATOM 276 OG SER A 55 18.678 -4.391 46.897 1.00 26.56 O ATOM 277 HG SER A 55 18.248 -3.511 47.041 1.00 0.00 H ATOM 278 H SER A 55 18.316 -5.572 44.323 1.00 0.00 H ATOM 279 N THR A 56 15.480 -3.299 46.658 1.00 23.41 N ATOM 280 CA THR A 56 15.185 -1.879 46.759 1.00 23.84 C ATOM 281 C THR A 56 16.365 -1.127 47.378 1.00 24.90 C ATOM 282 O THR A 56 17.247 -1.708 48.012 1.00 32.23 O ATOM 283 CB THR A 56 13.911 -1.638 47.570 1.00 34.60 C ATOM 284 OG1 THR A 56 14.132 -2.029 48.935 1.00 36.36 O ATOM 285 CG2 THR A 56 12.737 -2.430 46.963 1.00 31.66 C ATOM 286 HG1 THR A 56 13.307 -1.873 49.460 1.00 0.00 H ATOM 287 H THR A 56 15.095 -3.976 47.347 1.00 0.00 H ATOM 288 N PHE A 57 16.396 0.180 47.137 1.00 22.73 N ATOM 289 CA PHE A 57 17.436 1.048 47.660 1.00 26.66 C ATOM 290 C PHE A 57 16.862 2.447 47.781 1.00 29.24 C ATOM 291 O PHE A 57 15.745 2.720 47.324 1.00 26.69 O ATOM 292 CB PHE A 57 18.691 1.043 46.781 1.00 27.64 C ATOM 293 CG PHE A 57 18.454 1.497 45.362 1.00 25.27 C ATOM 294 CD1 PHE A 57 18.064 0.588 44.386 1.00 26.08 C ATOM 295 CD2 PHE A 57 18.646 2.829 45.005 1.00 24.49 C ATOM 296 CE1 PHE A 57 17.868 1.006 43.062 1.00 20.86 C ATOM 297 CE2 PHE A 57 18.449 3.253 43.696 1.00 27.44 C ATOM 298 CZ PHE A 57 18.061 2.342 42.724 1.00 18.98 C ATOM 299 H PHE A 57 15.645 0.597 46.550 1.00 0.00 H ATOM 300 N SER A 58 17.648 3.337 48.393 1.00 31.72 N ATOM 301 CA SER A 58 17.181 4.672 48.743 1.00 33.38 C ATOM 302 C SER A 58 18.376 5.584 48.979 1.00 36.36 C ATOM 303 O SER A 58 19.538 5.166 48.936 1.00 32.21 O ATOM 304 CB SER A 58 16.285 4.632 49.983 1.00 35.54 C ATOM 305 OG SER A 58 17.029 4.306 51.142 1.00 37.29 O ATOM 306 HG SER A 58 17.734 4.987 51.283 1.00 0.00 H ATOM 307 H SER A 58 18.625 3.068 48.627 1.00 0.00 H ATOM 308 N SER A 59 18.071 6.848 49.238 1.00 34.91 N ATOM 309 CA SER A 59 19.085 7.836 49.562 1.00 45.75 C ATOM 310 C SER A 59 19.591 7.686 50.989 1.00 51.59 C ATOM 311 O SER A 59 19.447 6.627 51.612 1.00 52.39 O ATOM 312 CB SER A 59 18.506 9.226 49.383 1.00 48.65 C ATOM 313 OG SER A 59 17.465 9.445 50.317 1.00 47.39 O ATOM 314 HG SER A 59 16.750 8.775 50.176 1.00 0.00 H ATOM 315 H SER A 59 17.074 7.141 49.208 1.00 0.00 H ATOM 316 N GLY A 60 20.185 8.754 51.509 1.00 56.29 N ATOM 317 CA GLY A 60 20.505 8.845 52.918 1.00 61.79 C ATOM 318 C GLY A 60 19.865 10.071 53.537 1.00 66.38 C ATOM 319 O GLY A 60 20.429 10.683 54.450 1.00 69.33 O ATOM 320 H GLY A 60 20.428 9.550 50.885 1.00 0.00 H ATOM 321 N ALA A 61 18.688 10.441 53.040 1.00 68.26 N ATOM 322 CA ALA A 61 17.960 11.612 53.498 1.00 67.61 C ATOM 323 C ALA A 61 16.792 11.178 54.389 1.00 72.36 C ATOM 324 O ALA A 61 16.754 10.043 54.878 1.00 72.71 O ATOM 325 CB ALA A 61 17.505 12.435 52.287 1.00 63.31 C ATOM 326 H ALA A 61 18.267 9.863 52.285 1.00 0.00 H ATOM 327 N ASN A 62 15.832 12.077 54.602 1.00 76.41 N ATOM 328 CA ASN A 62 14.698 11.811 55.476 1.00 82.18 C ATOM 329 C ASN A 62 13.437 11.407 54.723 1.00 87.48 C ATOM 330 O ASN A 62 12.448 11.036 55.363 1.00 92.34 O ATOM 331 CB ASN A 62 14.396 13.042 56.342 1.00 82.61 C ATOM 332 H ASN A 62 15.895 13.000 54.128 1.00 0.00 H ATOM 333 N ASP A 63 13.446 11.461 53.389 1.00 82.77 N ATOM 334 CA ASP A 63 12.244 11.141 52.627 1.00 75.12 C ATOM 335 C ASP A 63 12.003 9.636 52.543 1.00 69.09 C ATOM 336 O ASP A 63 10.857 9.186 52.645 1.00 71.78 O ATOM 337 CB ASP A 63 12.344 11.741 51.228 1.00 74.10 C ATOM 338 H ASP A 63 14.317 11.733 52.889 1.00 0.00 H ATOM 339 N LYS A 64 13.064 8.852 52.345 1.00 64.15 N ATOM 340 CA LYS A 64 12.981 7.389 52.280 1.00 59.49 C ATOM 341 C LYS A 64 12.115 6.914 51.110 1.00 53.63 C ATOM 342 O LYS A 64 11.324 5.978 51.239 1.00 59.06 O ATOM 343 CB LYS A 64 12.480 6.800 53.601 1.00 54.79 C ATOM 344 H LYS A 64 13.996 9.300 52.231 1.00 0.00 H ATOM 345 N LEU A 65 12.255 7.570 49.961 1.00 40.28 N ATOM 346 CA LEU A 65 11.790 6.977 48.716 1.00 30.19 C ATOM 347 C LEU A 65 12.552 5.685 48.447 1.00 28.20 C ATOM 348 O LEU A 65 13.780 5.638 48.575 1.00 28.57 O ATOM 349 CB LEU A 65 12.009 7.938 47.552 1.00 31.88 C ATOM 350 CG LEU A 65 11.152 9.185 47.415 1.00 42.78 C ATOM 351 CD1 LEU A 65 11.720 10.073 46.317 1.00 45.37 C ATOM 352 CD2 LEU A 65 9.717 8.796 47.106 1.00 40.55 C ATOM 353 H LEU A 65 12.699 8.511 49.953 1.00 0.00 H ATOM 354 N LYS A 66 11.835 4.637 48.062 1.00 21.70 N ATOM 355 CA LYS A 66 12.459 3.364 47.701 1.00 25.65 C ATOM 356 C LYS A 66 12.373 3.151 46.193 1.00 25.76 C ATOM 357 O LYS A 66 11.328 3.392 45.573 1.00 21.68 O ATOM 358 CB LYS A 66 11.806 2.183 48.428 1.00 33.34 C ATOM 359 CG LYS A 66 11.846 2.265 49.951 1.00 39.81 C ATOM 360 CD LYS A 66 13.268 2.410 50.464 1.00 49.98 C ATOM 361 CE LYS A 66 13.329 2.275 51.983 1.00 54.06 C ATOM 362 NZ LYS A 66 13.021 0.884 52.422 1.00 53.31 N ATOM 363 HZ1 LYS A 66 12.064 0.626 52.107 1.00 0.00 H ATOM 364 HZ2 LYS A 66 13.713 0.229 52.005 1.00 0.00 H ATOM 365 HZ3 LYS A 66 13.072 0.830 53.459 1.00 0.00 H ATOM 366 H LYS A 66 10.800 4.723 48.016 1.00 0.00 H ATOM 367 N TRP A 67 13.470 2.676 45.620 1.00 18.00 N ATOM 368 CA TRP A 67 13.659 2.486 44.182 1.00 21.07 C ATOM 369 C TRP A 67 14.101 1.054 43.923 1.00 23.88 C ATOM 370 O TRP A 67 14.613 0.391 44.824 1.00 25.97 O ATOM 371 CB TRP A 67 14.741 3.432 43.630 1.00 21.12 C ATOM 372 CG TRP A 67 14.495 4.892 43.878 1.00 21.15 C ATOM 373 CD1 TRP A 67 14.822 5.609 44.993 1.00 22.01 C ATOM 374 CD2 TRP A 67 13.882 5.815 42.973 1.00 22.75 C ATOM 375 NE1 TRP A 67 14.435 6.918 44.847 1.00 23.97 N ATOM 376 CE2 TRP A 67 13.859 7.075 43.615 1.00 23.77 C ATOM 377 CE3 TRP A 67 13.338 5.699 41.684 1.00 21.97 C ATOM 378 CZ2 TRP A 67 13.319 8.210 43.017 1.00 26.07 C ATOM 379 CZ3 TRP A 67 12.809 6.839 41.086 1.00 20.23 C ATOM 380 CH2 TRP A 67 12.798 8.072 41.757 1.00 22.87 C ATOM 381 HE1 TRP A 67 14.559 7.668 45.557 1.00 0.00 H ATOM 382 H TRP A 67 14.261 2.417 46.244 1.00 0.00 H ATOM 383 N CYS A 68 13.958 0.588 42.677 1.00 23.62 N ATOM 384 CA CYS A 68 14.651 -0.634 42.296 1.00 24.44 C ATOM 385 C CYS A 68 15.021 -0.592 40.819 1.00 27.20 C ATOM 386 O CYS A 68 14.525 0.238 40.045 1.00 21.82 O ATOM 387 CB CYS A 68 13.826 -1.871 42.618 1.00 32.42 C ATOM 388 SG CYS A 68 12.426 -2.007 41.570 1.00 38.23 S ATOM 389 H CYS A 68 13.360 1.092 41.991 1.00 0.00 H ATOM 390 N LEU A 69 15.936 -1.480 40.437 1.00 20.75 N ATOM 391 CA LEU A 69 16.297 -1.670 39.039 1.00 21.14 C ATOM 392 C LEU A 69 15.676 -2.952 38.510 1.00 25.18 C ATOM 393 O LEU A 69 15.547 -3.944 39.232 1.00 25.29 O ATOM 394 CB LEU A 69 17.813 -1.732 38.847 1.00 21.35 C ATOM 395 CG LEU A 69 18.620 -0.561 39.400 1.00 26.73 C ATOM 396 CD1 LEU A 69 20.082 -0.900 39.255 1.00 22.40 C ATOM 397 CD2 LEU A 69 18.278 0.698 38.622 1.00 25.42 C ATOM 398 H LEU A 69 16.409 -2.057 41.161 1.00 0.00 H ATOM 399 N ARG A 70 15.291 -2.921 37.237 1.00 25.18 N ATOM 400 CA ARG A 70 14.772 -4.098 36.558 1.00 25.02 C ATOM 401 C ARG A 70 15.513 -4.249 35.241 1.00 25.63 C ATOM 402 O ARG A 70 15.654 -3.275 34.495 1.00 25.38 O ATOM 403 CB ARG A 70 13.253 -3.970 36.336 1.00 26.46 C ATOM 404 CG ARG A 70 12.463 -3.954 37.653 1.00 34.17 C ATOM 405 CD ARG A 70 10.973 -4.228 37.465 1.00 42.39 C ATOM 406 NE ARG A 70 10.304 -3.150 36.749 1.00 50.39 N ATOM 407 CZ ARG A 70 9.928 -3.223 35.480 1.00 62.96 C ATOM 408 NH1 ARG A 70 10.167 -4.324 34.782 1.00 68.43 N ATOM 409 NH2 ARG A 70 9.334 -2.189 34.897 1.00 65.21 N ATOM 410 HE ARG A 70 10.109 -2.269 37.265 1.00 0.00 H ATOM 411 HH12 ARG A 70 9.873 -4.383 33.786 1.00 0.00 H ATOM 412 HH11 ARG A 70 10.649 -5.129 35.230 1.00 0.00 H ATOM 413 HH22 ARG A 70 9.041 -2.251 33.901 1.00 0.00 H ATOM 414 HH21 ARG A 70 9.162 -1.316 35.436 1.00 0.00 H ATOM 415 H ARG A 70 15.363 -2.027 36.711 1.00 0.00 H ATOM 416 N VAL A 71 16.012 -5.454 34.957 1.00 25.17 N ATOM 417 CA VAL A 71 16.824 -5.668 33.768 1.00 24.19 C ATOM 418 C VAL A 71 16.213 -6.794 32.939 1.00 25.66 C ATOM 419 O VAL A 71 15.732 -7.794 33.487 1.00 27.16 O ATOM 420 CB VAL A 71 18.302 -5.964 34.137 1.00 30.46 C ATOM 421 CG1 VAL A 71 18.442 -7.282 34.862 1.00 32.37 C ATOM 422 CG2 VAL A 71 19.165 -5.963 32.903 1.00 32.74 C ATOM 423 H VAL A 71 15.818 -6.252 35.595 1.00 0.00 H ATOM 424 N ASN A 72 16.170 -6.593 31.619 1.00 29.04 N ATOM 425 CA ASN A 72 15.757 -7.636 30.687 1.00 32.12 C ATOM 426 C ASN A 72 17.021 -8.228 30.086 1.00 27.29 C ATOM 427 O ASN A 72 17.609 -7.619 29.182 1.00 29.48 O ATOM 428 CB ASN A 72 14.851 -7.079 29.580 1.00 35.74 C ATOM 429 CG ASN A 72 13.575 -6.465 30.110 1.00 38.20 C ATOM 430 OD1 ASN A 72 13.510 -5.257 30.345 1.00 37.32 O ATOM 431 ND2 ASN A 72 12.544 -7.289 30.285 1.00 38.38 N ATOM 432 HD22 ASN A 72 12.646 -8.302 30.073 1.00 0.00 H ATOM 433 HD21 ASN A 72 11.636 -6.920 30.634 1.00 0.00 H ATOM 434 H ASN A 72 16.440 -5.662 31.243 1.00 0.00 H ATOM 435 N PRO A 73 17.475 -9.396 30.541 1.00 32.15 N ATOM 436 CA PRO A 73 18.730 -9.959 30.015 1.00 37.45 C ATOM 437 C PRO A 73 18.741 -10.149 28.507 1.00 36.88 C ATOM 438 O PRO A 73 19.796 -9.988 27.877 1.00 35.79 O ATOM 439 CB PRO A 73 18.844 -11.300 30.751 1.00 38.53 C ATOM 440 CG PRO A 73 18.029 -11.122 31.986 1.00 40.93 C ATOM 441 CD PRO A 73 16.866 -10.261 31.560 1.00 37.52 C ATOM 442 N LYS A 74 17.604 -10.477 27.904 1.00 34.59 N ATOM 443 CA LYS A 74 17.529 -10.688 26.465 1.00 42.10 C ATOM 444 C LYS A 74 16.577 -9.696 25.807 1.00 45.81 C ATOM 445 O LYS A 74 15.949 -9.999 24.791 1.00 39.61 O ATOM 446 CB LYS A 74 17.128 -12.129 26.152 1.00 43.97 C ATOM 447 CG LYS A 74 18.261 -13.122 26.406 1.00 44.51 C ATOM 448 CD LYS A 74 18.048 -14.432 25.674 1.00 50.18 C ATOM 449 CE LYS A 74 19.252 -15.350 25.820 1.00 51.25 C ATOM 450 H LYS A 74 16.742 -10.586 28.476 1.00 0.00 H ATOM 451 N GLY A 75 16.466 -8.505 26.380 1.00 39.42 N ATOM 452 CA GLY A 75 15.735 -7.428 25.753 1.00 37.75 C ATOM 453 C GLY A 75 14.297 -7.320 26.229 1.00 36.56 C ATOM 454 O GLY A 75 13.690 -8.271 26.724 1.00 36.04 O ATOM 455 H GLY A 75 16.916 -8.342 27.303 1.00 0.00 H ATOM 456 N LEU A 76 13.754 -6.114 26.071 1.00 44.38 N ATOM 457 CA LEU A 76 12.354 -5.876 26.400 1.00 45.11 C ATOM 458 C LEU A 76 11.436 -6.522 25.371 1.00 41.66 C ATOM 459 O LEU A 76 10.526 -7.279 25.727 1.00 42.47 O ATOM 460 CB LEU A 76 12.091 -4.370 26.490 1.00 44.47 C ATOM 461 CG LEU A 76 10.656 -3.931 26.786 1.00 42.13 C ATOM 462 CD1 LEU A 76 10.277 -4.282 28.217 1.00 42.20 C ATOM 463 CD2 LEU A 76 10.470 -2.443 26.506 1.00 36.68 C ATOM 464 H LEU A 76 14.336 -5.332 25.708 1.00 0.00 H ATOM 465 N ASP A 77 11.673 -6.252 24.089 1.00 46.52 N ATOM 466 CA ASP A 77 10.762 -6.663 23.031 1.00 49.89 C ATOM 467 C ASP A 77 11.560 -6.940 21.758 1.00 49.53 C ATOM 468 O ASP A 77 12.796 -6.905 21.753 1.00 40.51 O ATOM 469 CB ASP A 77 9.693 -5.587 22.811 1.00 54.17 C ATOM 470 CG ASP A 77 10.289 -4.199 22.606 1.00 57.09 C ATOM 471 OD1 ASP A 77 11.499 -4.090 22.299 1.00 55.00 O ATOM 472 OD2 ASP A 77 9.539 -3.209 22.751 1.00 59.94 O ATOM 473 H ASP A 77 12.537 -5.731 23.836 1.00 0.00 H ATOM 474 N GLU A 78 10.833 -7.191 20.663 1.00 48.55 N ATOM 475 CA GLU A 78 11.471 -7.519 19.391 1.00 45.48 C ATOM 476 C GLU A 78 12.429 -6.421 18.943 1.00 46.96 C ATOM 477 O GLU A 78 13.502 -6.708 18.396 1.00 48.02 O ATOM 478 CB GLU A 78 10.399 -7.767 18.324 1.00 49.38 C ATOM 479 CG GLU A 78 10.874 -8.603 17.158 1.00 52.74 C ATOM 480 CD GLU A 78 11.254 -10.014 17.568 1.00 64.39 C ATOM 481 OE1 GLU A 78 10.523 -10.618 18.383 1.00 69.31 O ATOM 482 OE2 GLU A 78 12.287 -10.516 17.078 1.00 69.98 O ATOM 483 H GLU A 78 9.795 -7.152 20.719 1.00 0.00 H ATOM 484 N GLU A 79 12.064 -5.155 19.169 1.00 48.66 N ATOM 485 CA GLU A 79 12.906 -4.053 18.715 1.00 49.61 C ATOM 486 C GLU A 79 14.255 -4.056 19.421 1.00 49.94 C ATOM 487 O GLU A 79 15.275 -3.691 18.823 1.00 45.24 O ATOM 488 CB GLU A 79 12.186 -2.720 18.939 1.00 50.95 C ATOM 489 CG GLU A 79 13.031 -1.475 18.677 1.00 53.52 C ATOM 490 CD GLU A 79 12.342 -0.184 19.118 1.00 59.87 C ATOM 491 OE1 GLU A 79 12.957 0.897 18.997 1.00 57.99 O ATOM 492 OE2 GLU A 79 11.185 -0.251 19.590 1.00 64.11 O ATOM 493 H GLU A 79 11.175 -4.954 19.671 1.00 0.00 H ATOM 494 N SER A 80 14.281 -4.470 20.686 1.00 50.76 N ATOM 495 CA SER A 80 15.490 -4.469 21.498 1.00 47.46 C ATOM 496 C SER A 80 16.003 -5.884 21.747 1.00 43.89 C ATOM 497 O SER A 80 16.642 -6.147 22.767 1.00 34.74 O ATOM 498 CB SER A 80 15.226 -3.759 22.823 1.00 38.85 C ATOM 499 OG SER A 80 13.986 -4.176 23.367 1.00 39.69 O ATOM 500 HG SER A 80 13.258 -3.957 22.732 1.00 0.00 H ATOM 501 H SER A 80 13.396 -4.810 21.114 1.00 0.00 H ATOM 502 N LYS A 81 15.730 -6.804 20.817 1.00 39.19 N ATOM 503 CA LYS A 81 16.028 -8.211 21.061 1.00 43.01 C ATOM 504 C LYS A 81 17.524 -8.461 21.221 1.00 38.48 C ATOM 505 O LYS A 81 17.919 -9.434 21.872 1.00 37.37 O ATOM 506 CB LYS A 81 15.464 -9.066 19.921 1.00 48.18 C ATOM 507 CG LYS A 81 16.154 -8.847 18.576 1.00 50.32 C ATOM 508 H LYS A 81 15.303 -6.515 19.914 1.00 0.00 H ATOM 509 N ASP A 82 18.366 -7.609 20.638 1.00 40.06 N ATOM 510 CA ASP A 82 19.813 -7.775 20.706 1.00 45.18 C ATOM 511 C ASP A 82 20.442 -7.024 21.873 1.00 40.43 C ATOM 512 O ASP A 82 21.670 -6.899 21.930 1.00 37.55 O ATOM 513 CB ASP A 82 20.455 -7.310 19.402 1.00 50.24 C ATOM 514 CG ASP A 82 20.032 -8.156 18.214 1.00 51.72 C ATOM 515 OD1 ASP A 82 19.969 -9.395 18.354 1.00 48.63 O ATOM 516 OD2 ASP A 82 19.759 -7.573 17.147 1.00 53.58 O ATOM 517 H ASP A 82 17.978 -6.797 20.116 1.00 0.00 H ATOM 518 N TYR A 83 19.640 -6.517 22.795 1.00 30.70 N ATOM 519 CA TYR A 83 20.143 -5.611 23.809 1.00 31.58 C ATOM 520 C TYR A 83 19.773 -6.120 25.190 1.00 31.73 C ATOM 521 O TYR A 83 18.824 -6.894 25.357 1.00 33.09 O ATOM 522 CB TYR A 83 19.581 -4.195 23.609 1.00 35.50 C ATOM 523 CG TYR A 83 20.181 -3.462 22.441 1.00 40.34 C ATOM 524 CD1 TYR A 83 19.731 -3.687 21.140 1.00 41.59 C ATOM 525 CD2 TYR A 83 21.198 -2.540 22.633 1.00 39.35 C ATOM 526 CE1 TYR A 83 20.285 -3.009 20.069 1.00 45.73 C ATOM 527 CE2 TYR A 83 21.750 -1.857 21.573 1.00 44.36 C ATOM 528 CZ TYR A 83 21.294 -2.095 20.294 1.00 46.00 C ATOM 529 OH TYR A 83 21.855 -1.408 19.247 1.00 51.34 O ATOM 530 HH TYR A 83 21.424 -1.688 18.401 1.00 0.00 H ATOM 531 H TYR A 83 18.632 -6.773 22.792 1.00 0.00 H ATOM 532 N LEU A 84 20.576 -5.700 26.172 1.00 31.25 N ATOM 533 CA LEU A 84 20.152 -5.646 27.564 1.00 33.24 C ATOM 534 C LEU A 84 19.276 -4.407 27.742 1.00 32.36 C ATOM 535 O LEU A 84 19.650 -3.315 27.300 1.00 33.76 O ATOM 536 CB LEU A 84 21.370 -5.555 28.492 1.00 35.89 C ATOM 537 CG LEU A 84 21.763 -6.727 29.380 1.00 43.54 C ATOM 538 CD1 LEU A 84 22.751 -6.327 30.466 1.00 36.26 C ATOM 539 CD2 LEU A 84 20.544 -7.204 30.025 1.00 50.73 C ATOM 540 H LEU A 84 21.542 -5.400 25.933 1.00 0.00 H ATOM 541 N SER A 85 18.113 -4.571 28.372 1.00 27.24 N ATOM 542 CA SER A 85 17.222 -3.452 28.677 1.00 31.19 C ATOM 543 C SER A 85 17.227 -3.183 30.178 1.00 31.72 C ATOM 544 O SER A 85 17.179 -4.116 30.981 1.00 32.72 O ATOM 545 CB SER A 85 15.796 -3.734 28.194 1.00 38.03 C ATOM 546 OG SER A 85 15.792 -4.093 26.820 1.00 39.46 O ATOM 547 HG SER A 85 16.170 -3.351 26.285 1.00 0.00 H ATOM 548 H SER A 85 17.829 -5.530 28.657 1.00 0.00 H ATOM 549 N LEU A 86 17.293 -1.906 30.561 1.00 24.98 N ATOM 550 CA LEU A 86 17.482 -1.558 31.964 1.00 22.65 C ATOM 551 C LEU A 86 16.610 -0.372 32.348 1.00 24.93 C ATOM 552 O LEU A 86 16.590 0.643 31.639 1.00 22.41 O ATOM 553 CB LEU A 86 18.951 -1.237 32.227 1.00 21.72 C ATOM 554 CG LEU A 86 19.378 -0.971 33.676 1.00 24.37 C ATOM 555 CD1 LEU A 86 18.972 -2.111 34.581 1.00 26.40 C ATOM 556 CD2 LEU A 86 20.874 -0.774 33.672 1.00 21.25 C ATOM 557 H LEU A 86 17.209 -1.151 29.851 1.00 0.00 H ATOM 558 N TYR A 87 15.918 -0.497 33.487 1.00 25.44 N ATOM 559 CA TYR A 87 14.938 0.485 33.936 1.00 24.44 C ATOM 560 C TYR A 87 15.107 0.767 35.423 1.00 29.95 C ATOM 561 O TYR A 87 15.493 -0.106 36.206 1.00 23.28 O ATOM 562 CB TYR A 87 13.505 0.013 33.669 1.00 28.44 C ATOM 563 CG TYR A 87 13.244 -0.101 32.203 1.00 24.96 C ATOM 564 CD1 TYR A 87 12.845 1.009 31.460 1.00 26.82 C ATOM 565 CD2 TYR A 87 13.465 -1.294 31.541 1.00 27.36 C ATOM 566 CE1 TYR A 87 12.634 0.914 30.079 1.00 26.66 C ATOM 567 CE2 TYR A 87 13.249 -1.408 30.175 1.00 30.71 C ATOM 568 CZ TYR A 87 12.845 -0.306 29.451 1.00 32.47 C ATOM 569 OH TYR A 87 12.646 -0.433 28.098 1.00 34.13 O ATOM 570 HH TYR A 87 12.361 0.438 27.724 1.00 0.00 H ATOM 571 H TYR A 87 16.087 -1.334 34.080 1.00 0.00 H ATOM 572 N LEU A 88 14.816 2.011 35.788 1.00 25.81 N ATOM 573 CA LEU A 88 14.698 2.451 37.164 1.00 18.63 C ATOM 574 C LEU A 88 13.215 2.570 37.471 1.00 21.41 C ATOM 575 O LEU A 88 12.466 3.133 36.666 1.00 23.14 O ATOM 576 CB LEU A 88 15.387 3.807 37.346 1.00 21.35 C ATOM 577 CG LEU A 88 15.201 4.467 38.708 1.00 19.98 C ATOM 578 CD1 LEU A 88 15.902 3.687 39.800 1.00 20.92 C ATOM 579 CD2 LEU A 88 15.713 5.908 38.629 1.00 21.63 C ATOM 580 H LEU A 88 14.663 2.715 35.038 1.00 0.00 H ATOM 581 N LEU A 89 12.791 2.040 38.616 1.00 19.13 N ATOM 582 CA LEU A 89 11.383 2.080 38.997 1.00 25.54 C ATOM 583 C LEU A 89 11.241 2.676 40.390 1.00 24.76 C ATOM 584 O LEU A 89 12.049 2.394 41.275 1.00 21.14 O ATOM 585 CB LEU A 89 10.780 0.666 38.947 1.00 27.06 C ATOM 586 CG LEU A 89 9.314 0.485 39.322 1.00 40.24 C ATOM 587 CD1 LEU A 89 8.602 -0.193 38.177 1.00 42.08 C ATOM 588 CD2 LEU A 89 9.208 -0.342 40.589 1.00 47.96 C ATOM 589 H LEU A 89 13.478 1.588 39.253 1.00 0.00 H ATOM 590 N LEU A 90 10.229 3.516 40.587 1.00 25.59 N ATOM 591 CA LEU A 90 9.926 4.027 41.920 1.00 24.86 C ATOM 592 C LEU A 90 8.997 3.040 42.621 1.00 24.75 C ATOM 593 O LEU A 90 7.877 2.803 42.153 1.00 24.25 O ATOM 594 CB LEU A 90 9.279 5.410 41.844 1.00 23.37 C ATOM 595 CG LEU A 90 8.837 5.973 43.191 1.00 21.46 C ATOM 596 CD1 LEU A 90 10.018 6.227 44.128 1.00 23.83 C ATOM 597 CD2 LEU A 90 8.045 7.255 42.964 1.00 28.14 C ATOM 598 H LEU A 90 9.645 3.813 39.779 1.00 0.00 H ATOM 599 N VAL A 91 9.466 2.451 43.716 1.00 25.45 N ATOM 600 CA VAL A 91 8.719 1.381 44.380 1.00 28.02 C ATOM 601 C VAL A 91 7.753 1.936 45.417 1.00 27.16 C ATOM 602 O VAL A 91 6.619 1.468 45.528 1.00 28.23 O ATOM 603 CB VAL A 91 9.687 0.364 45.017 1.00 28.54 C ATOM 604 CG1 VAL A 91 8.899 -0.706 45.815 1.00 29.00 C ATOM 605 CG2 VAL A 91 10.568 -0.289 43.967 1.00 30.84 C ATOM 606 H VAL A 91 10.380 2.755 44.108 1.00 0.00 H ATOM 607 N SER A 92 8.170 2.934 46.191 1.00 26.78 N ATOM 608 CA SER A 92 7.375 3.362 47.337 1.00 28.77 C ATOM 609 C SER A 92 6.344 4.435 46.954 1.00 27.17 C ATOM 610 O SER A 92 6.263 4.887 45.810 1.00 29.16 O ATOM 611 CB SER A 92 8.291 3.876 48.441 1.00 35.13 C ATOM 612 OG SER A 92 9.011 4.996 47.981 1.00 38.22 O ATOM 613 HG SER A 92 9.604 5.325 48.702 1.00 0.00 H ATOM 614 H SER A 92 9.069 3.412 45.978 1.00 0.00 H ATOM 615 N CYS A 93 5.549 4.855 47.947 1.00 23.91 N ATOM 616 CA CYS A 93 4.452 5.795 47.737 1.00 30.54 C ATOM 617 C CYS A 93 4.943 7.182 48.115 1.00 31.70 C ATOM 618 O CYS A 93 5.128 7.450 49.308 1.00 30.08 O ATOM 619 CB CYS A 93 3.246 5.399 48.592 1.00 27.97 C ATOM 620 SG CYS A 93 1.901 6.620 48.610 1.00 33.50 S ATOM 621 H CYS A 93 5.721 4.496 48.908 1.00 0.00 H ATOM 622 N PRO A 94 5.186 8.079 47.164 1.00 32.60 N ATOM 623 CA PRO A 94 5.733 9.391 47.514 1.00 38.83 C ATOM 624 C PRO A 94 4.671 10.334 48.060 1.00 45.48 C ATOM 625 O PRO A 94 3.510 10.311 47.652 1.00 43.95 O ATOM 626 CB PRO A 94 6.285 9.901 46.180 1.00 33.13 C ATOM 627 CG PRO A 94 5.337 9.307 45.153 1.00 37.61 C ATOM 628 CD PRO A 94 4.918 7.954 45.715 1.00 38.30 C ATOM 629 N LYS A 95 5.096 11.178 49.002 1.00 49.39 N ATOM 630 CA LYS A 95 4.193 12.155 49.604 1.00 54.68 C ATOM 631 C LYS A 95 3.917 13.348 48.698 1.00 54.93 C ATOM 632 O LYS A 95 2.930 14.059 48.913 1.00 56.78 O ATOM 633 CB LYS A 95 4.765 12.639 50.939 1.00 55.37 C ATOM 634 H LYS A 95 6.088 11.139 49.313 1.00 0.00 H ATOM 635 N SER A 96 4.759 13.591 47.699 1.00 50.42 N ATOM 636 CA SER A 96 4.543 14.675 46.750 1.00 50.99 C ATOM 637 C SER A 96 5.203 14.288 45.434 1.00 50.65 C ATOM 638 O SER A 96 5.754 13.191 45.296 1.00 54.39 O ATOM 639 CB SER A 96 5.084 16.004 47.288 1.00 55.23 C ATOM 640 OG SER A 96 6.417 15.867 47.750 1.00 53.94 O ATOM 641 HG SER A 96 6.738 16.739 48.091 1.00 0.00 H ATOM 642 H SER A 96 5.599 12.988 47.591 1.00 0.00 H ATOM 643 N GLU A 97 5.148 15.195 44.464 1.00 42.60 N ATOM 644 CA GLU A 97 5.651 14.871 43.136 1.00 44.25 C ATOM 645 C GLU A 97 7.134 14.533 43.211 1.00 42.88 C ATOM 646 O GLU A 97 7.878 15.118 44.006 1.00 38.03 O ATOM 647 CB GLU A 97 5.413 16.035 42.174 1.00 50.66 C ATOM 648 CG GLU A 97 5.384 15.615 40.708 1.00 60.13 C ATOM 649 CD GLU A 97 5.746 16.748 39.760 1.00 66.11 C ATOM 650 OE1 GLU A 97 6.320 16.472 38.682 1.00 60.74 O ATOM 651 OE2 GLU A 97 5.457 17.919 40.096 1.00 70.03 O ATOM 652 H GLU A 97 4.746 16.135 44.653 1.00 0.00 H ATOM 653 N VAL A 98 7.545 13.546 42.414 1.00 32.12 N ATOM 654 CA VAL A 98 8.933 13.107 42.339 1.00 30.38 C ATOM 655 C VAL A 98 9.429 13.356 40.929 1.00 31.33 C ATOM 656 O VAL A 98 8.834 12.866 39.961 1.00 29.71 O ATOM 657 CB VAL A 98 9.084 11.615 42.702 1.00 29.05 C ATOM 658 CG1 VAL A 98 10.500 11.138 42.410 1.00 25.39 C ATOM 659 CG2 VAL A 98 8.724 11.374 44.160 1.00 25.93 C ATOM 660 H VAL A 98 6.841 13.066 41.817 1.00 0.00 H ATOM 661 N ARG A 99 10.535 14.086 40.803 1.00 26.40 N ATOM 662 CA ARG A 99 11.206 14.174 39.515 1.00 22.27 C ATOM 663 C ARG A 99 12.662 13.766 39.701 1.00 26.34 C ATOM 664 O ARG A 99 13.312 14.205 40.654 1.00 27.32 O ATOM 665 CB ARG A 99 11.077 15.586 38.923 1.00 29.21 C ATOM 666 CG ARG A 99 9.638 15.902 38.492 1.00 36.23 C ATOM 667 CD ARG A 99 9.510 17.294 37.907 1.00 43.44 C ATOM 668 NE ARG A 99 10.078 18.296 38.798 1.00 47.97 N ATOM 669 CZ ARG A 99 9.468 18.762 39.884 1.00 54.29 C ATOM 670 NH1 ARG A 99 8.267 18.312 40.209 1.00 55.54 N ATOM 671 NH2 ARG A 99 10.054 19.678 40.646 1.00 52.52 N ATOM 672 HE ARG A 99 11.021 18.671 38.571 1.00 0.00 H ATOM 673 HH12 ARG A 99 7.788 18.675 41.058 1.00 0.00 H ATOM 674 HH11 ARG A 99 7.802 17.595 39.616 1.00 0.00 H ATOM 675 HH22 ARG A 99 9.570 20.037 41.493 1.00 0.00 H ATOM 676 HH21 ARG A 99 10.997 20.037 40.395 1.00 0.00 H ATOM 677 H ARG A 99 10.920 14.593 41.625 1.00 0.00 H ATOM 678 N ALA A 100 13.154 12.894 38.828 1.00 23.07 N ATOM 679 CA ALA A 100 14.482 12.313 39.016 1.00 22.64 C ATOM 680 C ALA A 100 15.246 12.249 37.706 1.00 25.72 C ATOM 681 O ALA A 100 14.673 11.949 36.656 1.00 23.95 O ATOM 682 CB ALA A 100 14.384 10.892 39.617 1.00 23.37 C ATOM 683 H ALA A 100 12.587 12.621 38.000 1.00 0.00 H ATOM 684 N LYS A 101 16.549 12.519 37.775 1.00 23.00 N ATOM 685 CA LYS A 101 17.484 12.144 36.725 1.00 25.84 C ATOM 686 C LYS A 101 18.197 10.859 37.128 1.00 26.40 C ATOM 687 O LYS A 101 18.331 10.542 38.311 1.00 25.59 O ATOM 688 CB LYS A 101 18.532 13.231 36.477 1.00 26.52 C ATOM 689 CG LYS A 101 17.993 14.593 36.141 1.00 30.76 C ATOM 690 CD LYS A 101 19.179 15.541 35.999 1.00 31.83 C ATOM 691 CE LYS A 101 18.744 16.966 35.800 1.00 30.06 C ATOM 692 NZ LYS A 101 19.919 17.882 35.868 1.00 31.46 N ATOM 693 HZ1 LYS A 101 20.373 17.793 36.799 1.00 0.00 H ATOM 694 HZ2 LYS A 101 20.599 17.627 35.123 1.00 0.00 H ATOM 695 HZ3 LYS A 101 19.601 18.862 35.729 1.00 0.00 H ATOM 696 H LYS A 101 16.912 13.017 38.612 1.00 0.00 H ATOM 697 N PHE A 102 18.666 10.120 36.129 1.00 23.21 N ATOM 698 CA PHE A 102 19.304 8.844 36.421 1.00 23.21 C ATOM 699 C PHE A 102 20.316 8.529 35.336 1.00 30.69 C ATOM 700 O PHE A 102 20.207 8.984 34.191 1.00 26.18 O ATOM 701 CB PHE A 102 18.281 7.708 36.523 1.00 23.41 C ATOM 702 CG PHE A 102 17.411 7.580 35.305 1.00 26.03 C ATOM 703 CD1 PHE A 102 17.781 6.754 34.253 1.00 27.42 C ATOM 704 CD2 PHE A 102 16.229 8.292 35.210 1.00 27.12 C ATOM 705 CE1 PHE A 102 16.986 6.634 33.132 1.00 29.20 C ATOM 706 CE2 PHE A 102 15.427 8.183 34.097 1.00 24.27 C ATOM 707 CZ PHE A 102 15.805 7.353 33.049 1.00 24.99 C ATOM 708 H PHE A 102 18.578 10.450 35.147 1.00 0.00 H ATOM 709 N LYS A 103 21.291 7.719 35.715 1.00 24.04 N ATOM 710 CA LYS A 103 22.354 7.270 34.834 1.00 23.49 C ATOM 711 C LYS A 103 22.672 5.828 35.194 1.00 23.71 C ATOM 712 O LYS A 103 22.761 5.496 36.382 1.00 26.09 O ATOM 713 CB LYS A 103 23.601 8.164 34.998 1.00 27.71 C ATOM 714 CG LYS A 103 24.909 7.486 34.706 1.00 38.51 C ATOM 715 CD LYS A 103 26.094 8.439 34.886 1.00 38.16 C ATOM 716 CE LYS A 103 26.336 8.803 36.345 1.00 39.42 C ATOM 717 NZ LYS A 103 27.760 9.221 36.567 1.00 42.02 N ATOM 718 HZ1 LYS A 103 28.394 8.438 36.309 1.00 0.00 H ATOM 719 HZ2 LYS A 103 27.973 10.050 35.976 1.00 0.00 H ATOM 720 HZ3 LYS A 103 27.897 9.463 37.569 1.00 0.00 H ATOM 721 H LYS A 103 21.296 7.385 36.700 1.00 0.00 H ATOM 722 N PHE A 104 22.810 4.976 34.179 1.00 23.02 N ATOM 723 CA PHE A 104 23.206 3.582 34.352 1.00 23.01 C ATOM 724 C PHE A 104 24.576 3.352 33.738 1.00 26.34 C ATOM 725 O PHE A 104 24.891 3.909 32.679 1.00 23.92 O ATOM 726 CB PHE A 104 22.237 2.605 33.671 1.00 23.02 C ATOM 727 CG PHE A 104 20.794 2.801 34.024 1.00 25.03 C ATOM 728 CD1 PHE A 104 20.388 2.952 35.342 1.00 26.07 C ATOM 729 CD2 PHE A 104 19.833 2.757 33.032 1.00 26.69 C ATOM 730 CE1 PHE A 104 19.039 3.103 35.648 1.00 27.94 C ATOM 731 CE2 PHE A 104 18.490 2.907 33.323 1.00 23.08 C ATOM 732 CZ PHE A 104 18.088 3.085 34.643 1.00 23.54 C ATOM 733 H PHE A 104 22.626 5.322 33.215 1.00 0.00 H ATOM 734 N SER A 105 25.365 2.484 34.370 1.00 22.49 N ATOM 735 CA SER A 105 26.651 2.078 33.823 1.00 24.52 C ATOM 736 C SER A 105 26.965 0.663 34.287 1.00 25.81 C ATOM 737 O SER A 105 26.241 0.079 35.090 1.00 21.45 O ATOM 738 CB SER A 105 27.750 3.070 34.220 1.00 23.71 C ATOM 739 OG SER A 105 28.027 3.000 35.599 1.00 26.54 O ATOM 740 HG SER A 105 28.739 3.650 35.825 1.00 0.00 H ATOM 741 H SER A 105 25.053 2.086 35.279 1.00 0.00 H ATOM 742 N ILE A 106 28.051 0.102 33.758 1.00 21.73 N ATOM 743 CA ILE A 106 28.522 -1.212 34.164 1.00 20.95 C ATOM 744 C ILE A 106 29.900 -1.040 34.772 1.00 25.45 C ATOM 745 O ILE A 106 30.716 -0.272 34.250 1.00 27.11 O ATOM 746 CB ILE A 106 28.554 -2.190 32.969 1.00 25.90 C ATOM 747 CG1 ILE A 106 27.135 -2.397 32.429 1.00 25.62 C ATOM 748 CG2 ILE A 106 29.175 -3.529 33.382 1.00 22.31 C ATOM 749 CD1 ILE A 106 27.092 -3.030 31.019 1.00 27.29 C ATOM 750 H ILE A 106 28.580 0.622 33.029 1.00 0.00 H ATOM 751 N LEU A 107 30.145 -1.714 35.896 1.00 20.19 N ATOM 752 CA LEU A 107 31.437 -1.639 36.559 1.00 22.54 C ATOM 753 C LEU A 107 32.341 -2.729 36.000 1.00 22.52 C ATOM 754 O LEU A 107 31.922 -3.887 35.887 1.00 24.83 O ATOM 755 CB LEU A 107 31.293 -1.820 38.067 1.00 22.90 C ATOM 756 CG LEU A 107 30.438 -0.803 38.825 1.00 21.09 C ATOM 757 CD1 LEU A 107 30.697 -0.904 40.329 1.00 24.13 C ATOM 758 CD2 LEU A 107 30.693 0.624 38.326 1.00 18.97 C ATOM 759 H LEU A 107 29.396 -2.306 36.308 1.00 0.00 H ATOM 760 N ASN A 108 33.579 -2.370 35.664 1.00 24.67 N ATOM 761 CA ASN A 108 34.533 -3.414 35.330 1.00 27.39 C ATOM 762 C ASN A 108 35.108 -3.991 36.621 1.00 24.64 C ATOM 763 O ASN A 108 34.712 -3.610 37.732 1.00 24.76 O ATOM 764 CB ASN A 108 35.619 -2.873 34.397 1.00 34.73 C ATOM 765 CG ASN A 108 36.432 -1.735 35.020 1.00 31.77 C ATOM 766 OD1 ASN A 108 36.555 -1.627 36.236 1.00 25.27 O ATOM 767 ND2 ASN A 108 37.000 -0.889 34.172 1.00 36.39 N ATOM 768 HD22 ASN A 108 36.872 -1.015 33.148 1.00 0.00 H ATOM 769 HD21 ASN A 108 37.574 -0.100 34.531 1.00 0.00 H ATOM 770 H ASN A 108 33.856 -1.368 35.641 1.00 0.00 H ATOM 771 N ALA A 109 36.071 -4.913 36.483 1.00 24.98 N ATOM 772 CA ALA A 109 36.647 -5.565 37.658 1.00 31.40 C ATOM 773 C ALA A 109 37.318 -4.577 38.606 1.00 29.36 C ATOM 774 O ALA A 109 37.457 -4.876 39.797 1.00 24.86 O ATOM 775 CB ALA A 109 37.656 -6.643 37.234 1.00 37.04 C ATOM 776 H ALA A 109 36.411 -5.166 35.533 1.00 0.00 H ATOM 777 N LYS A 110 37.731 -3.413 38.115 1.00 28.69 N ATOM 778 CA LYS A 110 38.345 -2.403 38.965 1.00 29.12 C ATOM 779 C LYS A 110 37.317 -1.518 39.651 1.00 30.22 C ATOM 780 O LYS A 110 37.698 -0.627 40.421 1.00 28.10 O ATOM 781 CB LYS A 110 39.312 -1.537 38.145 1.00 34.97 C ATOM 782 CG LYS A 110 40.630 -2.237 37.791 1.00 39.88 C ATOM 783 CD LYS A 110 41.448 -1.423 36.785 1.00 41.28 C ATOM 784 H LYS A 110 37.613 -3.219 37.100 1.00 0.00 H ATOM 785 N GLY A 111 36.028 -1.752 39.406 1.00 25.21 N ATOM 786 CA GLY A 111 34.994 -0.898 39.942 1.00 24.80 C ATOM 787 C GLY A 111 34.784 0.374 39.158 1.00 23.25 C ATOM 788 O GLY A 111 34.067 1.267 39.624 1.00 26.38 O ATOM 789 H GLY A 111 35.761 -2.566 38.817 1.00 0.00 H ATOM 790 N GLU A 112 35.406 0.496 37.989 1.00 26.62 N ATOM 791 CA GLU A 112 35.284 1.704 37.189 1.00 28.34 C ATOM 792 C GLU A 112 34.003 1.665 36.380 1.00 27.49 C ATOM 793 O GLU A 112 33.664 0.637 35.780 1.00 31.32 O ATOM 794 CB GLU A 112 36.489 1.851 36.256 1.00 27.82 C ATOM 795 CG GLU A 112 37.811 1.854 37.019 1.00 28.65 C ATOM 796 CD GLU A 112 39.011 1.760 36.098 1.00 41.74 C ATOM 797 OE1 GLU A 112 38.832 1.308 34.950 1.00 40.95 O ATOM 798 OE2 GLU A 112 40.121 2.142 36.529 1.00 44.40 O ATOM 799 H GLU A 112 35.992 -0.289 37.640 1.00 0.00 H ATOM 800 N GLU A 113 33.296 2.792 36.362 1.00 27.72 N ATOM 801 CA GLU A 113 32.071 2.903 35.578 1.00 23.02 C ATOM 802 C GLU A 113 32.388 2.916 34.089 1.00 32.35 C ATOM 803 O GLU A 113 33.239 3.683 33.630 1.00 35.07 O ATOM 804 CB GLU A 113 31.308 4.172 35.942 1.00 30.07 C ATOM 805 CG GLU A 113 30.686 4.171 37.326 1.00 31.74 C ATOM 806 CD GLU A 113 30.396 5.575 37.819 1.00 38.86 C ATOM 807 OE1 GLU A 113 29.452 6.204 37.306 1.00 39.96 O ATOM 808 OE2 GLU A 113 31.120 6.058 38.708 1.00 41.18 O ATOM 809 H GLU A 113 33.623 3.609 36.917 1.00 0.00 H ATOM 810 N THR A 114 31.697 2.076 33.325 1.00 30.07 N ATOM 811 CA THR A 114 31.892 2.027 31.886 1.00 30.47 C ATOM 812 C THR A 114 30.544 1.932 31.190 1.00 31.19 C ATOM 813 O THR A 114 29.542 1.511 31.777 1.00 30.92 O ATOM 814 CB THR A 114 32.758 0.827 31.459 1.00 45.75 C ATOM 815 OG1 THR A 114 31.922 -0.328 31.328 1.00 51.68 O ATOM 816 CG2 THR A 114 33.850 0.530 32.475 1.00 44.39 C ATOM 817 HG1 THR A 114 31.489 -0.521 32.197 1.00 0.00 H ATOM 818 H THR A 114 31.002 1.440 33.767 1.00 0.00 H ATOM 819 N LYS A 115 30.539 2.319 29.914 1.00 31.55 N ATOM 820 CA LYS A 115 29.355 2.236 29.058 1.00 38.65 C ATOM 821 C LYS A 115 28.163 2.946 29.697 1.00 34.81 C ATOM 822 O LYS A 115 27.036 2.440 29.710 1.00 27.20 O ATOM 823 CB LYS A 115 29.016 0.780 28.727 1.00 45.05 C ATOM 824 CG LYS A 115 30.132 0.025 28.002 1.00 50.58 C ATOM 825 CD LYS A 115 30.502 0.672 26.667 1.00 51.83 C ATOM 826 CE LYS A 115 29.563 0.238 25.553 1.00 54.99 C ATOM 827 H LYS A 115 31.418 2.698 29.508 1.00 0.00 H ATOM 828 N ALA A 116 28.418 4.145 30.219 1.00 29.96 N ATOM 829 CA ALA A 116 27.365 4.886 30.903 1.00 31.71 C ATOM 830 C ALA A 116 26.337 5.414 29.907 1.00 37.55 C ATOM 831 O ALA A 116 26.674 5.781 28.779 1.00 37.69 O ATOM 832 CB ALA A 116 27.960 6.038 31.708 1.00 25.26 C ATOM 833 H ALA A 116 29.371 4.554 30.138 1.00 0.00 H ATOM 834 N VAL A 117 25.070 5.423 30.328 1.00 32.11 N ATOM 835 CA VAL A 117 23.958 6.005 29.584 1.00 31.68 C ATOM 836 C VAL A 117 23.152 6.854 30.566 1.00 33.87 C ATOM 837 O VAL A 117 22.806 6.382 31.656 1.00 28.53 O ATOM 838 CB VAL A 117 23.072 4.924 28.931 1.00 32.72 C ATOM 839 CG1 VAL A 117 21.986 5.561 28.059 1.00 36.37 C ATOM 840 CG2 VAL A 117 23.921 3.946 28.098 1.00 32.22 C ATOM 841 H VAL A 117 24.862 4.986 31.248 1.00 0.00 H ATOM 842 N GLU A 118 22.877 8.106 30.198 1.00 33.47 N ATOM 843 CA GLU A 118 22.267 9.080 31.101 1.00 32.38 C ATOM 844 C GLU A 118 20.906 9.536 30.601 1.00 32.41 C ATOM 845 O GLU A 118 20.697 9.718 29.395 1.00 31.37 O ATOM 846 CB GLU A 118 23.143 10.324 31.267 1.00 36.05 C ATOM 847 CG GLU A 118 24.457 10.116 31.957 1.00 46.38 C ATOM 848 CD GLU A 118 25.195 11.424 32.160 1.00 56.78 C ATOM 849 OE1 GLU A 118 25.561 12.064 31.149 1.00 57.31 O ATOM 850 OE2 GLU A 118 25.396 11.818 33.327 1.00 60.77 O ATOM 851 H GLU A 118 23.106 8.402 29.228 1.00 0.00 H ATOM 852 N SER A 119 20.001 9.786 31.551 1.00 25.48 N ATOM 853 CA SER A 119 18.703 10.361 31.208 1.00 26.77 C ATOM 854 C SER A 119 18.821 11.789 30.685 1.00 29.87 C ATOM 855 O SER A 119 18.001 12.196 29.859 1.00 35.00 O ATOM 856 CB SER A 119 17.772 10.317 32.423 1.00 25.72 C ATOM 857 OG SER A 119 18.165 11.295 33.375 1.00 27.09 O ATOM 858 HG SER A 119 18.118 12.193 32.962 1.00 0.00 H ATOM 859 H SER A 119 20.223 9.569 32.544 1.00 0.00 H ATOM 860 N GLN A 120 19.818 12.546 31.145 1.00 30.98 N ATOM 861 CA GLN A 120 20.003 13.946 30.758 1.00 42.45 C ATOM 862 C GLN A 120 18.924 14.842 31.364 1.00 44.23 C ATOM 863 O GLN A 120 19.232 15.741 32.156 1.00 51.66 O ATOM 864 CB GLN A 120 20.042 14.106 29.226 1.00 38.89 C ATOM 865 H GLN A 120 20.496 12.122 31.810 1.00 0.00 H ATOM 866 N ARG A 121 17.663 14.611 31.014 1.00 28.61 N ATOM 867 CA ARG A 121 16.573 15.359 31.624 1.00 28.42 C ATOM 868 C ARG A 121 16.052 14.615 32.849 1.00 31.16 C ATOM 869 O ARG A 121 16.324 13.431 33.043 1.00 28.30 O ATOM 870 CB ARG A 121 15.435 15.581 30.627 1.00 35.28 C ATOM 871 CG ARG A 121 14.983 14.322 29.892 1.00 42.85 C ATOM 872 CD ARG A 121 13.588 14.499 29.286 1.00 50.15 C ATOM 873 NE ARG A 121 12.566 14.633 30.323 1.00 52.93 N ATOM 874 CZ ARG A 121 11.260 14.466 30.129 1.00 52.44 C ATOM 875 NH1 ARG A 121 10.417 14.614 31.143 1.00 51.93 N ATOM 876 NH2 ARG A 121 10.794 14.153 28.926 1.00 50.63 N ATOM 877 HE ARG A 121 12.883 14.877 31.283 1.00 0.00 H ATOM 878 HH12 ARG A 121 9.396 14.484 30.994 1.00 0.00 H ATOM 879 HH11 ARG A 121 10.777 14.860 32.087 1.00 0.00 H ATOM 880 HH22 ARG A 121 9.772 14.024 28.782 1.00 0.00 H ATOM 881 HH21 ARG A 121 11.451 14.037 28.128 1.00 0.00 H ATOM 882 H ARG A 121 17.452 13.888 30.297 1.00 0.00 H ATOM 883 N ALA A 122 15.312 15.334 33.688 1.00 25.02 N ATOM 884 CA ALA A 122 14.602 14.712 34.795 1.00 28.76 C ATOM 885 C ALA A 122 13.269 14.175 34.298 1.00 33.46 C ATOM 886 O ALA A 122 12.638 14.760 33.414 1.00 37.92 O ATOM 887 CB ALA A 122 14.364 15.714 35.927 1.00 31.11 C ATOM 888 H ALA A 122 15.239 16.362 33.550 1.00 0.00 H ATOM 889 N TYR A 123 12.841 13.052 34.868 1.00 30.34 N ATOM 890 CA TYR A 123 11.568 12.438 34.510 1.00 34.73 C ATOM 891 C TYR A 123 10.661 12.365 35.731 1.00 30.57 C ATOM 892 O TYR A 123 11.126 12.204 36.862 1.00 30.54 O ATOM 893 CB TYR A 123 11.775 11.023 33.927 1.00 29.98 C ATOM 894 CG TYR A 123 12.275 11.014 32.506 1.00 30.55 C ATOM 895 CD1 TYR A 123 13.635 11.076 32.226 1.00 25.78 C ATOM 896 CD2 TYR A 123 11.389 10.963 31.444 1.00 32.93 C ATOM 897 CE1 TYR A 123 14.090 11.081 30.932 1.00 31.28 C ATOM 898 CE2 TYR A 123 11.835 10.964 30.143 1.00 34.60 C ATOM 899 CZ TYR A 123 13.183 11.018 29.893 1.00 30.91 C ATOM 900 OH TYR A 123 13.645 11.024 28.599 1.00 38.19 O ATOM 901 HH TYR A 123 14.634 11.066 28.603 1.00 0.00 H ATOM 902 H TYR A 123 13.433 12.597 35.592 1.00 0.00 H ATOM 903 N ARG A 124 9.355 12.477 35.501 1.00 27.32 N ATOM 904 CA ARG A 124 8.392 12.343 36.585 1.00 29.38 C ATOM 905 C ARG A 124 8.169 10.872 36.901 1.00 30.41 C ATOM 906 O ARG A 124 7.903 10.072 36.001 1.00 30.48 O ATOM 907 CB ARG A 124 7.057 12.985 36.220 1.00 28.31 C ATOM 908 CG ARG A 124 6.000 12.798 37.293 1.00 35.38 C ATOM 909 CD ARG A 124 4.756 13.630 37.020 1.00 50.71 C ATOM 910 NE ARG A 124 4.064 13.941 38.266 1.00 64.34 N ATOM 911 CZ ARG A 124 2.851 13.501 38.579 1.00 66.93 C ATOM 912 NH1 ARG A 124 2.183 12.735 37.726 1.00 67.91 N ATOM 913 NH2 ARG A 124 2.306 13.832 39.742 1.00 68.88 N ATOM 914 HE ARG A 124 4.553 14.548 38.955 1.00 0.00 H ATOM 915 HH12 ARG A 124 1.233 12.390 37.971 1.00 0.00 H ATOM 916 HH11 ARG A 124 2.610 12.479 36.813 1.00 0.00 H ATOM 917 HH22 ARG A 124 1.356 13.488 39.988 1.00 0.00 H ATOM 918 HH21 ARG A 124 2.829 14.436 40.408 1.00 0.00 H ATOM 919 H ARG A 124 9.018 12.663 34.535 1.00 0.00 H ATOM 920 N PHE A 125 8.257 10.523 38.179 1.00 25.24 N ATOM 921 CA PHE A 125 8.004 9.167 38.650 1.00 28.38 C ATOM 922 C PHE A 125 6.821 9.190 39.600 1.00 34.36 C ATOM 923 O PHE A 125 6.789 9.995 40.536 1.00 32.02 O ATOM 924 CB PHE A 125 9.207 8.583 39.397 1.00 26.80 C ATOM 925 CG PHE A 125 10.339 8.173 38.518 1.00 22.77 C ATOM 926 CD1 PHE A 125 11.277 9.095 38.106 1.00 24.93 C ATOM 927 CD2 PHE A 125 10.498 6.843 38.146 1.00 22.68 C ATOM 928 CE1 PHE A 125 12.350 8.719 37.309 1.00 26.59 C ATOM 929 CE2 PHE A 125 11.594 6.446 37.358 1.00 21.49 C ATOM 930 CZ PHE A 125 12.510 7.384 36.932 1.00 26.08 C ATOM 931 H PHE A 125 8.518 11.250 38.875 1.00 0.00 H ATOM 932 N VAL A 126 5.865 8.299 39.377 1.00 30.99 N ATOM 933 CA VAL A 126 4.874 7.968 40.383 1.00 27.89 C ATOM 934 C VAL A 126 5.158 6.546 40.826 1.00 27.85 C ATOM 935 O VAL A 126 5.978 5.846 40.235 1.00 29.48 O ATOM 936 CB VAL A 126 3.433 8.104 39.860 1.00 32.24 C ATOM 937 CG1 VAL A 126 3.080 9.574 39.635 1.00 37.99 C ATOM 938 CG2 VAL A 126 3.289 7.306 38.585 1.00 30.29 C ATOM 939 H VAL A 126 5.824 7.823 38.453 1.00 0.00 H ATOM 940 N GLN A 127 4.472 6.113 41.880 1.00 27.80 N ATOM 941 CA GLN A 127 4.660 4.740 42.325 1.00 27.79 C ATOM 942 C GLN A 127 4.411 3.781 41.176 1.00 30.65 C ATOM 943 O GLN A 127 3.413 3.898 40.459 1.00 30.14 O ATOM 944 CB GLN A 127 3.738 4.394 43.485 1.00 28.27 C ATOM 945 CG GLN A 127 4.060 2.995 44.013 1.00 28.27 C ATOM 946 CD GLN A 127 3.159 2.600 45.129 1.00 27.77 C ATOM 947 OE1 GLN A 127 1.940 2.777 45.043 1.00 34.63 O ATOM 948 NE2 GLN A 127 3.744 2.080 46.207 1.00 30.46 N ATOM 949 HE22 GLN A 127 4.776 1.952 46.228 1.00 0.00 H ATOM 950 HE21 GLN A 127 3.169 1.802 47.028 1.00 0.00 H ATOM 951 H GLN A 127 3.813 6.745 42.378 1.00 0.00 H ATOM 952 N GLY A 128 5.355 2.863 40.974 1.00 30.83 N ATOM 953 CA GLY A 128 5.251 1.874 39.924 1.00 31.28 C ATOM 954 C GLY A 128 5.761 2.316 38.575 1.00 36.72 C ATOM 955 O GLY A 128 5.765 1.509 37.637 1.00 41.56 O ATOM 956 H GLY A 128 6.193 2.857 41.590 1.00 0.00 H ATOM 957 N LYS A 129 6.177 3.570 38.435 1.00 28.19 N ATOM 958 CA LYS A 129 6.587 4.074 37.135 1.00 26.99 C ATOM 959 C LYS A 129 8.038 3.711 36.880 1.00 24.63 C ATOM 960 O LYS A 129 8.879 3.842 37.765 1.00 26.63 O ATOM 961 CB LYS A 129 6.406 5.597 37.078 1.00 34.41 C ATOM 962 CG LYS A 129 6.770 6.222 35.749 1.00 39.11 C ATOM 963 CD LYS A 129 5.695 5.920 34.709 1.00 39.82 C ATOM 964 CE LYS A 129 6.057 6.547 33.390 1.00 40.16 C ATOM 965 NZ LYS A 129 5.132 6.133 32.299 1.00 47.22 N ATOM 966 HZ1 LYS A 129 5.170 5.100 32.188 1.00 0.00 H ATOM 967 HZ2 LYS A 129 4.162 6.422 32.540 1.00 0.00 H ATOM 968 HZ3 LYS A 129 5.420 6.589 31.410 1.00 0.00 H ATOM 969 H LYS A 129 6.210 4.197 39.264 1.00 0.00 H ATOM 970 N ASP A 130 8.339 3.275 35.660 1.00 26.18 N ATOM 971 CA ASP A 130 9.718 3.015 35.298 1.00 33.31 C ATOM 972 C ASP A 130 10.158 3.965 34.192 1.00 31.00 C ATOM 973 O ASP A 130 9.344 4.466 33.416 1.00 30.77 O ATOM 974 CB ASP A 130 9.948 1.533 34.902 1.00 41.35 C ATOM 975 CG ASP A 130 9.293 1.132 33.578 1.00 51.02 C ATOM 976 OD1 ASP A 130 8.501 1.906 33.000 1.00 54.03 O ATOM 977 OD2 ASP A 130 9.569 0.000 33.124 1.00 55.01 O ATOM 978 H ASP A 130 7.582 3.120 34.964 1.00 0.00 H ATOM 979 N TRP A 131 11.453 4.253 34.174 1.00 21.68 N ATOM 980 CA TRP A 131 12.093 4.945 33.068 1.00 25.86 C ATOM 981 C TRP A 131 13.446 4.295 32.846 1.00 26.07 C ATOM 982 O TRP A 131 14.123 3.913 33.806 1.00 26.60 O ATOM 983 CB TRP A 131 12.253 6.452 33.349 1.00 22.24 C ATOM 984 CG TRP A 131 10.943 7.232 33.225 1.00 23.18 C ATOM 985 CD1 TRP A 131 10.147 7.655 34.241 1.00 22.96 C ATOM 986 CD2 TRP A 131 10.309 7.666 32.011 1.00 28.31 C ATOM 987 NE1 TRP A 131 9.051 8.334 33.740 1.00 26.75 N ATOM 988 CE2 TRP A 131 9.128 8.350 32.375 1.00 28.96 C ATOM 989 CE3 TRP A 131 10.631 7.551 30.656 1.00 34.26 C ATOM 990 CZ2 TRP A 131 8.261 8.919 31.427 1.00 35.98 C ATOM 991 CZ3 TRP A 131 9.764 8.111 29.710 1.00 36.93 C ATOM 992 CH2 TRP A 131 8.593 8.782 30.105 1.00 35.37 C ATOM 993 HE1 TRP A 131 8.293 8.762 34.308 1.00 0.00 H ATOM 994 H TRP A 131 12.036 3.971 34.988 1.00 0.00 H ATOM 995 N GLY A 132 13.836 4.154 31.587 1.00 25.16 N ATOM 996 CA GLY A 132 15.098 3.501 31.329 1.00 21.98 C ATOM 997 C GLY A 132 15.429 3.436 29.858 1.00 26.18 C ATOM 998 O GLY A 132 14.990 4.283 29.077 1.00 27.55 O ATOM 999 H GLY A 132 13.248 4.505 30.804 1.00 0.00 H ATOM 1000 N PHE A 133 16.212 2.442 29.466 1.00 26.99 N ATOM 1001 CA PHE A 133 16.690 2.337 28.095 1.00 27.22 C ATOM 1002 C PHE A 133 16.499 0.899 27.643 1.00 31.87 C ATOM 1003 O PHE A 133 17.155 -0.014 28.161 1.00 31.16 O ATOM 1004 CB PHE A 133 18.150 2.780 27.995 1.00 26.27 C ATOM 1005 CG PHE A 133 18.408 4.135 28.616 1.00 25.91 C ATOM 1006 CD1 PHE A 133 18.111 5.295 27.921 1.00 26.29 C ATOM 1007 CD2 PHE A 133 18.938 4.242 29.896 1.00 26.49 C ATOM 1008 CE1 PHE A 133 18.339 6.544 28.487 1.00 30.17 C ATOM 1009 CE2 PHE A 133 19.167 5.482 30.464 1.00 31.69 C ATOM 1010 CZ PHE A 133 18.869 6.633 29.761 1.00 36.23 C ATOM 1011 H PHE A 133 16.493 1.717 30.157 1.00 0.00 H ATOM 1012 N LYS A 134 15.586 0.694 26.688 1.00 26.60 N ATOM 1013 CA LYS A 134 15.391 -0.661 26.185 1.00 28.64 C ATOM 1014 C LYS A 134 16.640 -1.165 25.475 1.00 33.75 C ATOM 1015 O LYS A 134 16.891 -2.376 25.454 1.00 35.89 O ATOM 1016 CB LYS A 134 14.169 -0.717 25.259 1.00 33.30 C ATOM 1017 CG LYS A 134 14.213 0.253 24.081 1.00 38.19 C ATOM 1018 CD LYS A 134 12.825 0.412 23.449 1.00 41.11 C ATOM 1019 CE LYS A 134 12.223 -0.933 23.062 1.00 47.75 C ATOM 1020 NZ LYS A 134 10.873 -0.809 22.416 1.00 46.27 N ATOM 1021 HZ1 LYS A 134 10.215 -0.347 23.076 1.00 0.00 H ATOM 1022 HZ2 LYS A 134 10.955 -0.239 21.550 1.00 0.00 H ATOM 1023 HZ3 LYS A 134 10.516 -1.756 22.176 1.00 0.00 H ATOM 1024 H LYS A 134 15.026 1.485 26.311 1.00 0.00 H ATOM 1025 N LYS A 135 17.437 -0.256 24.912 1.00 30.46 N ATOM 1026 CA LYS A 135 18.678 -0.606 24.233 1.00 35.24 C ATOM 1027 C LYS A 135 19.871 -0.097 25.026 1.00 33.51 C ATOM 1028 O LYS A 135 20.637 0.746 24.542 1.00 34.78 O ATOM 1029 CB LYS A 135 18.714 -0.030 22.812 1.00 39.14 C ATOM 1030 CG LYS A 135 17.784 -0.724 21.845 1.00 38.53 C ATOM 1031 CD LYS A 135 17.967 -0.200 20.418 1.00 42.86 C ATOM 1032 CE LYS A 135 16.909 -0.784 19.486 1.00 51.30 C ATOM 1033 H LYS A 135 17.161 0.746 24.960 1.00 0.00 H ATOM 1034 N PHE A 136 20.036 -0.604 26.246 1.00 26.77 N ATOM 1035 CA PHE A 136 21.079 -0.084 27.120 1.00 26.91 C ATOM 1036 C PHE A 136 22.460 -0.494 26.629 1.00 25.43 C ATOM 1037 O PHE A 136 23.367 0.342 26.526 1.00 26.06 O ATOM 1038 CB PHE A 136 20.840 -0.563 28.557 1.00 22.66 C ATOM 1039 CG PHE A 136 22.000 -0.302 29.478 1.00 27.03 C ATOM 1040 CD1 PHE A 136 22.480 0.988 29.661 1.00 28.64 C ATOM 1041 CD2 PHE A 136 22.618 -1.344 30.144 1.00 29.58 C ATOM 1042 CE1 PHE A 136 23.547 1.237 30.502 1.00 33.21 C ATOM 1043 CE2 PHE A 136 23.691 -1.103 30.990 1.00 30.27 C ATOM 1044 CZ PHE A 136 24.158 0.192 31.165 1.00 30.24 C ATOM 1045 H PHE A 136 19.419 -1.373 26.576 1.00 0.00 H ATOM 1046 N ILE A 137 22.647 -1.780 26.324 1.00 28.04 N ATOM 1047 CA ILE A 137 23.930 -2.264 25.814 1.00 30.52 C ATOM 1048 C ILE A 137 23.682 -3.508 24.974 1.00 29.43 C ATOM 1049 O ILE A 137 22.785 -4.305 25.270 1.00 29.73 O ATOM 1050 CB ILE A 137 24.930 -2.553 26.953 1.00 31.59 C ATOM 1051 CG1 ILE A 137 26.331 -2.812 26.388 1.00 32.01 C ATOM 1052 CG2 ILE A 137 24.448 -3.725 27.800 1.00 31.81 C ATOM 1053 CD1 ILE A 137 27.397 -2.970 27.451 1.00 35.01 C ATOM 1054 H ILE A 137 21.864 -2.452 26.452 1.00 0.00 H ATOM 1055 N ARG A 138 24.474 -3.661 23.914 1.00 36.01 N ATOM 1056 CA ARG A 138 24.364 -4.844 23.066 1.00 35.73 C ATOM 1057 C ARG A 138 24.795 -6.088 23.832 1.00 32.92 C ATOM 1058 O ARG A 138 25.872 -6.121 24.440 1.00 30.62 O ATOM 1059 CB ARG A 138 25.214 -4.685 21.806 1.00 41.32 C ATOM 1060 CG ARG A 138 24.581 -3.803 20.736 1.00 46.53 C ATOM 1061 CD ARG A 138 24.924 -4.282 19.326 1.00 52.96 C ATOM 1062 NE ARG A 138 24.401 -5.616 19.046 1.00 54.51 N ATOM 1063 CZ ARG A 138 23.843 -5.971 17.894 1.00 57.06 C ATOM 1064 NH1 ARG A 138 23.732 -5.090 16.909 1.00 59.90 N ATOM 1065 NH2 ARG A 138 23.394 -7.206 17.725 1.00 55.37 N ATOM 1066 HE ARG A 138 24.470 -6.334 19.796 1.00 0.00 H ATOM 1067 HH12 ARG A 138 23.295 -5.370 16.008 1.00 0.00 H ATOM 1068 HH11 ARG A 138 24.082 -4.119 17.038 1.00 0.00 H ATOM 1069 HH22 ARG A 138 22.957 -7.482 16.822 1.00 0.00 H ATOM 1070 HH21 ARG A 138 23.478 -7.900 18.495 1.00 0.00 H ATOM 1071 H ARG A 138 25.178 -2.930 23.688 1.00 0.00 H ATOM 1072 N ARG A 139 23.951 -7.118 23.789 1.00 31.94 N ATOM 1073 CA ARG A 139 24.245 -8.342 24.515 1.00 34.15 C ATOM 1074 C ARG A 139 25.527 -8.988 24.002 1.00 38.69 C ATOM 1075 O ARG A 139 26.330 -9.499 24.793 1.00 35.30 O ATOM 1076 CB ARG A 139 23.066 -9.310 24.405 1.00 36.63 C ATOM 1077 CG ARG A 139 23.102 -10.426 25.416 1.00 44.10 C ATOM 1078 CD ARG A 139 21.945 -11.403 25.218 1.00 45.46 C ATOM 1079 NE ARG A 139 22.277 -12.726 25.738 1.00 49.86 N ATOM 1080 CZ ARG A 139 22.192 -13.075 27.019 1.00 52.55 C ATOM 1081 NH1 ARG A 139 21.783 -12.201 27.936 1.00 46.85 N ATOM 1082 NH2 ARG A 139 22.519 -14.304 27.388 1.00 55.08 N ATOM 1083 HE ARG A 139 22.602 -13.445 25.061 1.00 0.00 H ATOM 1084 HH12 ARG A 139 21.721 -12.486 28.934 1.00 0.00 H ATOM 1085 HH11 ARG A 139 21.526 -11.234 27.654 1.00 0.00 H ATOM 1086 HH22 ARG A 139 22.454 -14.581 28.388 1.00 0.00 H ATOM 1087 HH21 ARG A 139 22.841 -14.992 26.678 1.00 0.00 H ATOM 1088 H ARG A 139 23.076 -7.046 23.232 1.00 0.00 H ATOM 1089 N ASP A 140 25.755 -8.959 22.684 1.00 40.74 N ATOM 1090 CA ASP A 140 26.961 -9.605 22.175 1.00 47.45 C ATOM 1091 C ASP A 140 28.220 -8.831 22.568 1.00 48.48 C ATOM 1092 O ASP A 140 29.270 -9.437 22.801 1.00 51.81 O ATOM 1093 CB ASP A 140 26.876 -9.833 20.649 1.00 50.87 C ATOM 1094 CG ASP A 140 26.455 -8.611 19.866 1.00 57.60 C ATOM 1095 OD1 ASP A 140 26.637 -7.464 20.334 1.00 60.50 O ATOM 1096 OD2 ASP A 140 25.947 -8.793 18.731 1.00 62.62 O ATOM 1097 H ASP A 140 25.090 -8.488 22.038 1.00 0.00 H ATOM 1098 N PHE A 141 28.132 -7.502 22.696 1.00 40.62 N ATOM 1099 CA PHE A 141 29.269 -6.745 23.223 1.00 39.90 C ATOM 1100 C PHE A 141 29.555 -7.135 24.674 1.00 39.78 C ATOM 1101 O PHE A 141 30.711 -7.336 25.071 1.00 31.59 O ATOM 1102 CB PHE A 141 29.007 -5.232 23.112 1.00 42.49 C ATOM 1103 CG PHE A 141 30.163 -4.374 23.570 1.00 40.59 C ATOM 1104 CD1 PHE A 141 30.345 -4.084 24.916 1.00 40.59 C ATOM 1105 CD2 PHE A 141 31.064 -3.859 22.653 1.00 45.83 C ATOM 1106 CE1 PHE A 141 31.407 -3.305 25.339 1.00 34.11 C ATOM 1107 CE2 PHE A 141 32.129 -3.076 23.069 1.00 46.56 C ATOM 1108 CZ PHE A 141 32.302 -2.800 24.418 1.00 43.31 C ATOM 1109 H PHE A 141 27.259 -7.008 22.422 1.00 0.00 H ATOM 1110 N LEU A 142 28.504 -7.255 25.476 1.00 36.80 N ATOM 1111 CA LEU A 142 28.663 -7.614 26.879 1.00 35.34 C ATOM 1112 C LEU A 142 29.301 -8.988 27.042 1.00 35.40 C ATOM 1113 O LEU A 142 30.130 -9.196 27.936 1.00 36.46 O ATOM 1114 CB LEU A 142 27.291 -7.580 27.552 1.00 37.71 C ATOM 1115 CG LEU A 142 27.183 -7.720 29.065 1.00 33.26 C ATOM 1116 CD1 LEU A 142 27.808 -6.529 29.748 1.00 29.20 C ATOM 1117 CD2 LEU A 142 25.719 -7.814 29.416 1.00 30.14 C ATOM 1118 H LEU A 142 27.550 -7.090 25.096 1.00 0.00 H ATOM 1119 N LEU A 143 28.903 -9.949 26.212 1.00 32.94 N ATOM 1120 CA LEU A 143 29.358 -11.320 26.395 1.00 36.08 C ATOM 1121 C LEU A 143 30.772 -11.548 25.885 1.00 31.99 C ATOM 1122 O LEU A 143 31.332 -12.616 26.131 1.00 33.17 O ATOM 1123 CB LEU A 143 28.409 -12.295 25.693 1.00 38.17 C ATOM 1124 CG LEU A 143 27.056 -12.533 26.359 1.00 39.85 C ATOM 1125 CD1 LEU A 143 26.156 -13.288 25.399 1.00 40.42 C ATOM 1126 CD2 LEU A 143 27.251 -13.335 27.635 1.00 41.25 C ATOM 1127 H LEU A 143 28.262 -9.719 25.426 1.00 0.00 H ATOM 1128 N ASP A 144 31.356 -10.585 25.184 1.00 32.87 N ATOM 1129 CA ASP A 144 32.711 -10.736 24.660 1.00 36.64 C ATOM 1130 C ASP A 144 33.708 -10.456 25.777 1.00 34.91 C ATOM 1131 O ASP A 144 33.845 -9.312 26.222 1.00 34.46 O ATOM 1132 CB ASP A 144 32.918 -9.794 23.478 1.00 35.66 C ATOM 1133 CG ASP A 144 34.209 -10.064 22.733 1.00 42.78 C ATOM 1134 OD1 ASP A 144 35.051 -10.830 23.246 1.00 40.86 O ATOM 1135 OD2 ASP A 144 34.383 -9.480 21.645 1.00 44.30 O ATOM 1136 H ASP A 144 30.837 -9.702 25.003 1.00 0.00 H ATOM 1137 N GLU A 145 34.425 -11.496 26.210 1.00 37.49 N ATOM 1138 CA GLU A 145 35.332 -11.371 27.347 1.00 44.52 C ATOM 1139 C GLU A 145 36.373 -10.276 27.149 1.00 50.38 C ATOM 1140 O GLU A 145 36.883 -9.733 28.136 1.00 48.31 O ATOM 1141 CB GLU A 145 36.023 -12.706 27.611 1.00 43.82 C ATOM 1142 H GLU A 145 34.335 -12.413 25.728 1.00 0.00 H ATOM 1143 N ALA A 146 36.679 -9.923 25.901 1.00 48.52 N ATOM 1144 CA ALA A 146 37.669 -8.890 25.626 1.00 51.25 C ATOM 1145 C ALA A 146 37.248 -7.517 26.132 1.00 46.77 C ATOM 1146 O ALA A 146 38.107 -6.651 26.320 1.00 50.62 O ATOM 1147 CB ALA A 146 37.946 -8.820 24.126 1.00 55.45 C ATOM 1148 H ALA A 146 36.201 -10.395 25.107 1.00 0.00 H ATOM 1149 N ASN A 147 35.957 -7.287 26.345 1.00 36.97 N ATOM 1150 CA ASN A 147 35.502 -6.000 26.849 1.00 36.57 C ATOM 1151 C ASN A 147 35.513 -5.909 28.371 1.00 36.64 C ATOM 1152 O ASN A 147 35.290 -4.816 28.905 1.00 38.42 O ATOM 1153 CB ASN A 147 34.104 -5.702 26.304 1.00 35.00 C ATOM 1154 CG ASN A 147 34.093 -5.677 24.792 1.00 43.46 C ATOM 1155 OD1 ASN A 147 35.070 -5.248 24.182 1.00 43.41 O ATOM 1156 ND2 ASN A 147 33.012 -6.152 24.178 1.00 41.85 N ATOM 1157 HD22 ASN A 147 32.209 -6.505 24.737 1.00 0.00 H ATOM 1158 HD21 ASN A 147 32.970 -6.171 23.139 1.00 0.00 H ATOM 1159 H ASN A 147 35.263 -8.036 26.149 1.00 0.00 H ATOM 1160 N GLY A 148 35.761 -7.017 29.068 1.00 30.75 N ATOM 1161 CA GLY A 148 35.956 -6.996 30.507 1.00 32.60 C ATOM 1162 C GLY A 148 34.752 -6.604 31.330 1.00 33.92 C ATOM 1163 O GLY A 148 34.908 -6.218 32.493 1.00 36.47 O ATOM 1164 H GLY A 148 35.817 -7.926 28.566 1.00 0.00 H ATOM 1165 N LEU A 149 33.549 -6.713 30.775 1.00 32.40 N ATOM 1166 CA LEU A 149 32.341 -6.339 31.496 1.00 28.50 C ATOM 1167 C LEU A 149 31.694 -7.495 32.245 1.00 30.58 C ATOM 1168 O LEU A 149 30.727 -7.268 32.980 1.00 30.16 O ATOM 1169 CB LEU A 149 31.322 -5.735 30.536 1.00 25.10 C ATOM 1170 CG LEU A 149 31.813 -4.509 29.776 1.00 36.00 C ATOM 1171 CD1 LEU A 149 30.660 -3.926 28.982 1.00 38.61 C ATOM 1172 CD2 LEU A 149 32.417 -3.467 30.725 1.00 33.81 C ATOM 1173 H LEU A 149 33.469 -7.074 29.803 1.00 0.00 H ATOM 1174 N LEU A 150 32.191 -8.721 32.093 1.00 23.37 N ATOM 1175 CA LEU A 150 31.649 -9.872 32.815 1.00 26.32 C ATOM 1176 C LEU A 150 32.767 -10.628 33.525 1.00 30.77 C ATOM 1177 O LEU A 150 32.933 -11.837 33.335 1.00 30.76 O ATOM 1178 CB LEU A 150 30.880 -10.797 31.872 1.00 32.30 C ATOM 1179 CG LEU A 150 29.579 -10.252 31.284 1.00 34.28 C ATOM 1180 CD1 LEU A 150 28.877 -11.325 30.446 1.00 34.66 C ATOM 1181 CD2 LEU A 150 28.655 -9.717 32.380 1.00 33.59 C ATOM 1182 H LEU A 150 32.989 -8.865 31.441 1.00 0.00 H ATOM 1183 N PRO A 151 33.534 -9.952 34.382 1.00 28.57 N ATOM 1184 CA PRO A 151 34.594 -10.650 35.121 1.00 31.74 C ATOM 1185 C PRO A 151 34.014 -11.759 35.987 1.00 33.57 C ATOM 1186 O PRO A 151 33.076 -11.542 36.755 1.00 30.94 O ATOM 1187 CB PRO A 151 35.223 -9.538 35.970 1.00 31.69 C ATOM 1188 CG PRO A 151 34.112 -8.551 36.175 1.00 31.48 C ATOM 1189 CD PRO A 151 33.326 -8.577 34.885 1.00 25.01 C ATOM 1190 N ASP A 152 34.574 -12.965 35.844 1.00 31.05 N ATOM 1191 CA ASP A 152 34.090 -14.147 36.562 1.00 38.80 C ATOM 1192 C ASP A 152 32.613 -14.408 36.281 1.00 34.57 C ATOM 1193 O ASP A 152 31.907 -14.962 37.129 1.00 31.01 O ATOM 1194 CB ASP A 152 34.317 -14.028 38.073 1.00 46.90 C ATOM 1195 CG ASP A 152 35.782 -14.011 38.449 1.00 57.92 C ATOM 1196 OD1 ASP A 152 36.518 -14.926 38.021 1.00 61.92 O ATOM 1197 OD2 ASP A 152 36.196 -13.086 39.184 1.00 56.59 O ATOM 1198 H ASP A 152 35.383 -13.068 35.199 1.00 0.00 H ATOM 1199 N ASP A 153 32.162 -14.017 35.085 1.00 31.10 N ATOM 1200 CA ASP A 153 30.771 -14.123 34.648 1.00 33.37 C ATOM 1201 C ASP A 153 29.815 -13.374 35.575 1.00 31.07 C ATOM 1202 O ASP A 153 28.649 -13.756 35.721 1.00 28.07 O ATOM 1203 CB ASP A 153 30.329 -15.580 34.498 1.00 36.00 C ATOM 1204 CG ASP A 153 29.148 -15.726 33.549 1.00 33.39 C ATOM 1205 OD1 ASP A 153 28.876 -14.770 32.789 1.00 34.58 O ATOM 1206 OD2 ASP A 153 28.477 -16.777 33.572 1.00 36.02 O ATOM 1207 H ASP A 153 32.849 -13.609 34.419 1.00 0.00 H ATOM 1208 N LYS A 154 30.303 -12.313 36.214 1.00 27.94 N ATOM 1209 CA LYS A 154 29.484 -11.448 37.055 1.00 28.09 C ATOM 1210 C LYS A 154 29.169 -10.173 36.296 1.00 21.03 C ATOM 1211 O LYS A 154 30.070 -9.544 35.735 1.00 26.23 O ATOM 1212 CB LYS A 154 30.200 -11.066 38.349 1.00 28.48 C ATOM 1213 CG LYS A 154 30.404 -12.151 39.386 1.00 35.03 C ATOM 1214 CD LYS A 154 31.572 -11.707 40.255 1.00 41.92 C ATOM 1215 CE LYS A 154 31.656 -12.425 41.569 1.00 52.59 C ATOM 1216 NZ LYS A 154 32.195 -11.487 42.608 1.00 55.40 N ATOM 1217 HZ1 LYS A 154 33.142 -11.164 42.324 1.00 0.00 H ATOM 1218 HZ2 LYS A 154 31.560 -10.668 42.696 1.00 0.00 H ATOM 1219 HZ3 LYS A 154 32.255 -11.981 43.521 1.00 0.00 H ATOM 1220 H LYS A 154 31.314 -12.091 36.109 1.00 0.00 H ATOM 1221 N LEU A 155 27.908 -9.756 36.330 1.00 23.61 N ATOM 1222 CA LEU A 155 27.507 -8.476 35.768 1.00 21.93 C ATOM 1223 C LEU A 155 27.186 -7.532 36.919 1.00 21.92 C ATOM 1224 O LEU A 155 26.250 -7.780 37.686 1.00 20.03 O ATOM 1225 CB LEU A 155 26.295 -8.627 34.849 1.00 24.15 C ATOM 1226 CG LEU A 155 25.701 -7.293 34.388 1.00 27.22 C ATOM 1227 CD1 LEU A 155 26.709 -6.545 33.546 1.00 25.49 C ATOM 1228 CD2 LEU A 155 24.430 -7.542 33.595 1.00 27.17 C ATOM 1229 H LEU A 155 27.187 -10.362 36.771 1.00 0.00 H ATOM 1230 N THR A 156 27.946 -6.452 37.039 1.00 22.29 N ATOM 1231 CA THR A 156 27.713 -5.474 38.101 1.00 23.84 C ATOM 1232 C THR A 156 27.163 -4.191 37.487 1.00 23.00 C ATOM 1233 O THR A 156 27.876 -3.465 36.782 1.00 21.96 O ATOM 1234 CB THR A 156 28.988 -5.225 38.899 1.00 18.95 C ATOM 1235 OG1 THR A 156 29.440 -6.472 39.451 1.00 21.12 O ATOM 1236 CG2 THR A 156 28.734 -4.228 40.054 1.00 18.99 C ATOM 1237 HG1 THR A 156 29.623 -7.110 38.716 1.00 0.00 H ATOM 1238 H THR A 156 28.723 -6.298 36.365 1.00 0.00 H ATOM 1239 N LEU A 157 25.892 -3.919 37.755 1.00 20.27 N ATOM 1240 CA LEU A 157 25.223 -2.736 37.242 1.00 18.29 C ATOM 1241 C LEU A 157 25.310 -1.606 38.249 1.00 20.19 C ATOM 1242 O LEU A 157 25.271 -1.830 39.460 1.00 21.12 O ATOM 1243 CB LEU A 157 23.751 -3.040 36.951 1.00 18.68 C ATOM 1244 CG LEU A 157 23.579 -4.068 35.831 1.00 24.95 C ATOM 1245 CD1 LEU A 157 22.139 -4.584 35.768 1.00 25.34 C ATOM 1246 CD2 LEU A 157 24.000 -3.434 34.515 1.00 27.07 C ATOM 1247 H LEU A 157 25.355 -4.577 38.355 1.00 0.00 H ATOM 1248 N PHE A 158 25.388 -0.381 37.731 1.00 17.84 N ATOM 1249 CA PHE A 158 25.553 0.813 38.539 1.00 16.74 C ATOM 1250 C PHE A 158 24.469 1.806 38.156 1.00 22.78 C ATOM 1251 O PHE A 158 24.240 2.041 36.967 1.00 20.42 O ATOM 1252 CB PHE A 158 26.954 1.434 38.309 1.00 17.75 C ATOM 1253 CG PHE A 158 27.199 2.703 39.091 1.00 23.08 C ATOM 1254 CD1 PHE A 158 26.759 3.932 38.621 1.00 25.14 C ATOM 1255 CD2 PHE A 158 27.872 2.658 40.291 1.00 20.42 C ATOM 1256 CE1 PHE A 158 26.999 5.107 39.348 1.00 23.84 C ATOM 1257 CE2 PHE A 158 28.110 3.812 41.017 1.00 27.10 C ATOM 1258 CZ PHE A 158 27.671 5.033 40.544 1.00 27.60 C ATOM 1259 H PHE A 158 25.328 -0.275 36.698 1.00 0.00 H ATOM 1260 N CYS A 159 23.830 2.417 39.152 1.00 16.62 N ATOM 1261 CA CYS A 159 22.859 3.469 38.879 1.00 19.65 C ATOM 1262 C CYS A 159 23.098 4.641 39.814 1.00 22.53 C ATOM 1263 O CYS A 159 23.229 4.443 41.026 1.00 20.19 O ATOM 1264 CB CYS A 159 21.428 2.944 39.048 1.00 22.49 C ATOM 1265 SG CYS A 159 20.127 4.209 38.872 1.00 25.70 S ATOM 1266 H CYS A 159 24.026 2.140 40.135 1.00 0.00 H ATOM 1267 N GLU A 160 23.151 5.855 39.265 1.00 20.82 N ATOM 1268 CA GLU A 160 23.130 7.068 40.071 1.00 20.42 C ATOM 1269 C GLU A 160 21.793 7.761 39.863 1.00 26.75 C ATOM 1270 O GLU A 160 21.336 7.910 38.723 1.00 23.49 O ATOM 1271 CB GLU A 160 24.285 8.017 39.725 1.00 24.88 C ATOM 1272 CG GLU A 160 24.272 9.298 40.573 1.00 27.93 C ATOM 1273 CD GLU A 160 25.198 10.388 40.024 1.00 37.17 C ATOM 1274 OE1 GLU A 160 26.398 10.372 40.365 1.00 40.75 O ATOM 1275 OE2 GLU A 160 24.727 11.245 39.254 1.00 37.96 O ATOM 1276 H GLU A 160 23.209 5.938 38.230 1.00 0.00 H ATOM 1277 N VAL A 161 21.154 8.161 40.957 1.00 18.59 N ATOM 1278 CA VAL A 161 19.870 8.851 40.878 1.00 17.22 C ATOM 1279 C VAL A 161 20.020 10.220 41.529 1.00 20.17 C ATOM 1280 O VAL A 161 20.642 10.344 42.587 1.00 22.31 O ATOM 1281 CB VAL A 161 18.732 8.054 41.552 1.00 20.08 C ATOM 1282 CG1 VAL A 161 17.430 8.808 41.414 1.00 22.71 C ATOM 1283 CG2 VAL A 161 18.568 6.653 40.928 1.00 19.58 C ATOM 1284 H VAL A 161 21.577 7.979 41.889 1.00 0.00 H ATOM 1285 N SER A 162 19.439 11.240 40.897 1.00 21.44 N ATOM 1286 CA SER A 162 19.317 12.581 41.458 1.00 20.81 C ATOM 1287 C SER A 162 17.839 12.922 41.524 1.00 22.11 C ATOM 1288 O SER A 162 17.173 12.967 40.487 1.00 21.99 O ATOM 1289 CB SER A 162 20.053 13.603 40.591 1.00 28.79 C ATOM 1290 OG SER A 162 21.438 13.534 40.836 1.00 31.98 O ATOM 1291 HG SER A 162 21.766 12.625 40.618 1.00 0.00 H ATOM 1292 H SER A 162 19.050 11.070 39.948 1.00 0.00 H ATOM 1293 N VAL A 163 17.323 13.175 42.719 1.00 23.26 N ATOM 1294 CA VAL A 163 15.879 13.314 42.867 1.00 26.04 C ATOM 1295 C VAL A 163 15.541 14.609 43.591 1.00 29.16 C ATOM 1296 O VAL A 163 16.226 15.019 44.534 1.00 26.10 O ATOM 1297 CB VAL A 163 15.259 12.093 43.578 1.00 30.55 C ATOM 1298 CG1 VAL A 163 15.900 11.872 44.931 1.00 36.40 C ATOM 1299 CG2 VAL A 163 13.747 12.269 43.707 1.00 30.12 C ATOM 1300 H VAL A 163 17.945 13.274 43.547 1.00 0.00 H ATOM 1301 N VAL A 164 14.485 15.265 43.126 1.00 24.52 N ATOM 1302 CA VAL A 164 13.922 16.430 43.790 1.00 25.27 C ATOM 1303 C VAL A 164 12.467 16.093 44.088 1.00 34.89 C ATOM 1304 O VAL A 164 11.774 15.531 43.233 1.00 32.58 O ATOM 1305 CB VAL A 164 14.037 17.695 42.919 1.00 31.00 C ATOM 1306 CG1 VAL A 164 13.147 18.804 43.467 1.00 41.74 C ATOM 1307 CG2 VAL A 164 15.504 18.159 42.828 1.00 30.58 C ATOM 1308 H VAL A 164 14.040 14.931 42.247 1.00 0.00 H ATOM 1309 N GLN A 165 12.024 16.394 45.303 1.00 34.10 N ATOM 1310 CA GLN A 165 10.641 16.195 45.709 1.00 44.24 C ATOM 1311 C GLN A 165 9.995 17.538 46.008 1.00 51.64 C ATOM 1312 O GLN A 165 10.588 18.377 46.692 1.00 56.84 O ATOM 1313 CB GLN A 165 10.552 15.311 46.943 1.00 42.97 C ATOM 1314 CG GLN A 165 10.348 13.855 46.645 1.00 51.68 C ATOM 1315 CD GLN A 165 10.250 13.033 47.910 1.00 54.30 C ATOM 1316 OE1 GLN A 165 11.254 12.765 48.561 1.00 57.80 O ATOM 1317 NE2 GLN A 165 9.038 12.639 48.271 1.00 54.40 N ATOM 1318 HE22 GLN A 165 8.214 12.890 47.688 1.00 0.00 H ATOM 1319 HE21 GLN A 165 8.910 12.079 49.138 1.00 0.00 H ATOM 1320 H GLN A 165 12.694 16.789 45.994 1.00 0.00 H ATOM 1321 N ASP A 166 8.775 17.728 45.513 1.00 52.40 N ATOM 1322 CA ASP A 166 8.035 18.966 45.752 1.00 53.77 C ATOM 1323 C ASP A 166 7.359 18.952 47.118 1.00 60.08 C ATOM 1324 O ASP A 166 7.998 18.680 48.138 1.00 65.43 O ATOM 1325 CB ASP A 166 6.995 19.192 44.654 1.00 57.11 C ATOM 1326 CG ASP A 166 7.624 19.591 43.328 1.00 64.74 C ATOM 1327 OD1 ASP A 166 8.797 20.027 43.334 1.00 67.05 O ATOM 1328 OD2 ASP A 166 6.948 19.473 42.280 1.00 68.48 O ATOM 1329 H ASP A 166 8.337 16.977 44.942 1.00 0.00 H TER 1330 ASP A 166 HETATM 1331 O HOH 1 27.978 5.828 35.915 1.00 38.06 O HETATM 1332 O HOH 2 7.318 13.121 47.071 1.00 58.79 O HETATM 1333 O HOH 3 6.714 2.399 34.124 1.00 58.23 O HETATM 1334 O HOH 4 19.499 5.418 53.453 1.00 62.00 O HETATM 1335 O HOH 5 18.186 -3.523 49.246 1.00 58.66 O HETATM 1336 O HOH 6 22.289 -14.117 29.795 1.00 56.24 O HETATM 1337 O HOH 7 17.553 -9.802 42.726 1.00 59.50 O HETATM 1338 O HOH 8 36.924 -5.919 33.891 1.00 32.94 O HETATM 1339 O HOH 9 22.701 -15.310 39.206 1.00 64.91 O HETATM 1340 O HOH 10 15.493 7.921 49.777 1.00 58.24 O HETATM 1341 O HOH 11 7.674 11.204 49.931 1.00 53.96 O HETATM 1342 O HOH 12 12.111 10.265 26.652 1.00 36.19 O HETATM 1343 O HOH 13 11.375 -2.420 33.309 1.00 49.62 O HETATM 1344 O HOH 14 27.686 8.382 41.426 1.00 27.16 O HETATM 1345 O HOH 15 29.675 -15.480 38.452 1.00 33.97 O HETATM 1346 O HOH 16 0.109 3.212 43.180 1.00 59.86 O HETATM 1347 O HOH 17 15.116 -10.582 28.811 1.00 37.85 O HETATM 1348 O HOH 18 25.476 10.996 47.249 1.00 34.16 O HETATM 1349 O HOH 19 30.350 -5.990 35.432 1.00 21.53 O HETATM 1350 O HOH 20 32.254 -12.677 45.005 1.00 46.87 O HETATM 1351 O HOH 21 0.987 5.009 40.708 1.00 48.37 O HETATM 1352 O HOH 22 25.846 0.910 27.374 1.00 34.34 O HETATM 1353 O HOH 23 5.489 -0.503 44.096 1.00 33.89 O HETATM 1354 O HOH 24 29.358 -18.744 35.177 1.00 39.37 O HETATM 1355 O HOH 25 27.106 8.092 45.185 1.00 25.17 O HETATM 1356 O HOH 26 22.678 -14.791 24.062 1.00 61.74 O HETATM 1357 O HOH 27 37.215 -12.428 23.082 1.00 63.49 O HETATM 1358 O HOH 28 40.078 -0.833 41.688 1.00 41.84 O HETATM 1359 O HOH 29 13.966 12.713 48.500 1.00 57.90 O HETATM 1360 O HOH 30 28.190 12.210 39.461 1.00 60.74 O HETATM 1361 O HOH 31 31.005 -7.652 37.458 1.00 26.86 O HETATM 1362 O HOH 32 8.606 12.855 32.178 1.00 41.61 O HETATM 1363 O HOH 33 32.482 2.940 28.089 1.00 50.79 O HETATM 1364 O HOH 34 35.586 -2.602 24.662 1.00 54.96 O HETATM 1365 O HOH 35 15.794 20.287 54.783 1.00 60.66 O HETATM 1366 O HOH 36 32.648 -8.208 28.445 1.00 29.59 O HETATM 1367 O HOH 37 17.519 -5.286 18.981 1.00 50.99 O HETATM 1368 O HOH 38 5.357 12.246 41.338 1.00 36.84 O HETATM 1369 O HOH 39 5.239 9.758 35.319 1.00 62.43 O HETATM 1370 O HOH 40 4.746 8.073 30.363 1.00 36.88 O HETATM 1371 O HOH 41 20.564 16.374 49.689 1.00 56.11 O HETATM 1372 O HOH 42 30.698 -14.643 30.694 1.00 35.66 O HETATM 1373 O HOH 43 36.183 -6.874 41.253 1.00 27.37 O HETATM 1374 O HOH 44 21.519 10.678 49.239 1.00 48.27 O HETATM 1375 O HOH 45 21.095 4.351 51.643 1.00 58.15 O HETATM 1376 O HOH 46 35.666 -4.845 21.464 1.00 67.00 O HETATM 1377 O HOH 47 14.050 -8.296 44.443 1.00 55.06 O HETATM 1378 O HOH 48 19.540 -9.411 24.312 1.00 63.09 O HETATM 1379 O HOH 49 22.012 11.293 38.499 1.00 33.10 O HETATM 1380 O HOH 50 16.370 10.738 27.929 1.00 33.76 O HETATM 1381 O HOH 51 23.561 -8.638 20.759 1.00 42.22 O HETATM 1382 O HOH 52 5.601 3.661 50.511 1.00 35.91 O HETATM 1383 O HOH 53 34.354 -9.855 30.651 1.00 39.38 O HETATM 1384 O HOH 54 23.123 -13.206 41.381 1.00 36.11 O HETATM 1385 O HOH 55 9.815 -11.858 33.921 1.00 58.94 O HETATM 1386 O HOH 56 30.565 -14.290 28.294 1.00 53.00 O HETATM 1387 O HOH 57 17.670 -17.497 35.114 1.00 51.88 O HETATM 1388 O HOH 58 14.309 -11.165 39.860 1.00 33.08 O HETATM 1389 O HOH 59 33.005 -6.999 21.240 1.00 46.19 O HETATM 1390 O HOH 60 7.967 -9.216 32.310 1.00 68.46 O HETATM 1391 O HOH 61 8.582 -1.426 19.888 1.00 59.74 O HETATM 1392 O HOH 62 30.873 5.645 30.424 1.00 40.97 O HETATM 1393 O HOH 63 14.890 10.454 49.475 1.00 58.53 O HETATM 1394 O HOH 64 21.317 12.369 33.617 1.00 37.56 O HETATM 1395 O HOH 65 20.343 -10.744 41.329 1.00 42.03 O HETATM 1396 O HOH 66 15.385 8.502 47.113 1.00 47.63 O HETATM 1397 O HOH 67 2.428 7.845 43.050 1.00 35.47 O HETATM 1398 O HOH 68 34.574 5.132 37.564 1.00 36.28 O HETATM 1399 O HOH 69 29.688 7.999 34.721 1.00 59.65 O HETATM 1400 O HOH 70 18.431 18.562 32.323 1.00 40.01 O HETATM 1401 O HOH 71 11.153 -4.399 31.904 1.00 49.88 O HETATM 1402 O HOH 72 13.873 17.901 33.393 1.00 39.19 O HETATM 1403 O HOH 73 21.653 -7.707 14.874 1.00 54.69 O HETATM 1404 O HOH 74 37.370 -10.400 38.716 1.00 44.50 O HETATM 1405 O HOH 75 23.944 9.194 27.630 1.00 47.02 O HETATM 1406 O HOH 76 17.418 2.711 24.507 1.00 40.75 O HETATM 1407 O HOH 77 26.346 -1.586 22.826 1.00 37.38 O HETATM 1408 O HOH 78 15.876 18.246 33.097 1.00 38.44 O HETATM 1409 O HOH 79 21.616 17.223 38.285 1.00 53.68 O HETATM 1410 O HOH 80 33.202 -10.000 18.900 1.00 43.77 O HETATM 1411 O HOH 81 27.638 -17.727 41.879 1.00 58.15 O HETATM 1412 O HOH 82 22.664 14.381 48.143 1.00 37.05 O HETATM 1413 O HOH 83 36.802 -1.634 31.221 1.00 53.05 O HETATM 1414 O HOH 84 2.610 3.174 37.521 1.00 52.52 O HETATM 1415 O HOH 85 37.066 -13.134 33.935 1.00 64.83 O HETATM 1416 O HOH 86 8.950 1.427 23.652 1.00 57.52 O HETATM 1417 O HOH 87 14.401 14.595 47.153 1.00 56.16 O HETATM 1418 O HOH 88 25.653 -19.838 27.883 1.00 72.68 O HETATM 1419 O HOH 89 31.618 -15.587 24.548 1.00 60.63 O HETATM 1420 O HOH 90 34.956 -15.115 33.241 1.00 62.84 O HETATM 1421 O HOH 91 39.035 -3.732 34.907 1.00 45.42 O HETATM 1422 O HOH 92 19.625 -12.379 22.638 1.00 65.81 O HETATM 1423 O HOH 93 20.798 8.821 25.993 1.00 60.04 O HETATM 1424 O HOH 94 19.830 4.216 24.535 1.00 58.89 O HETATM 1425 O HOH 95 19.054 -0.201 17.264 1.00 59.23 O HETATM 1426 O HOH 96 24.925 1.255 23.366 1.00 63.43 O HETATM 1427 O HOH 97 7.346 -10.746 26.301 1.00 57.51 O HETATM 1428 O HOH 98 26.423 10.410 44.297 1.00 40.65 O HETATM 1429 O HOH 99 40.114 -2.503 32.619 1.00 58.93 O HETATM 1430 O HOH 100 25.525 15.832 30.291 1.00 62.26 O HETATM 1431 O HOH 101 10.649 3.066 22.767 1.00 52.85 O HETATM 1432 O HOH 102 2.997 11.651 42.900 1.00 54.78 O HETATM 1433 O HOH 103 26.535 2.397 25.531 1.00 61.08 O HETATM 1434 O HOH 104 22.002 -11.464 20.970 1.00 64.51 O HETATM 1435 O HOH 105 21.333 -16.709 36.569 1.00 53.61 O HETATM 1436 O HOH 106 20.119 -15.010 36.379 1.00 38.81 O HETATM 1437 O HOH 107 4.342 10.004 32.094 1.00 52.30 O HETATM 1438 O HOH 108 22.264 11.944 35.901 1.00 48.53 O HETATM 1439 O HOH 109 11.074 -18.935 34.359 1.00 66.92 O HETATM 1440 O HOH 110 13.092 -17.778 34.267 1.00 62.36 O HETATM 1441 O HOH 111 17.783 23.477 46.903 1.00 53.71 O HETATM 1442 O HOH 112 11.889 -4.258 41.057 1.00 41.51 O HETATM 1443 O HOH 113 8.612 2.844 51.700 1.00 53.66 O HETATM 1444 O HOH 114 24.048 -9.121 13.975 1.00 65.83 O HETATM 1445 O HOH 115 38.318 -8.423 33.936 1.00 46.56 O HETATM 1446 O HOH 116 22.858 -20.548 36.900 1.00 50.63 O HETATM 1447 O HOH 117 17.305 -10.066 45.187 1.00 68.17 O HETATM 1448 O HOH 118 5.430 -2.247 40.081 1.00 64.41 O HETATM 1449 O HOH 119 41.085 -5.575 36.013 1.00 57.50 O HETATM 1450 O HOH 120 2.825 5.033 52.363 1.00 60.27 O HETATM 1451 O HOH 121 27.956 -21.004 27.976 1.00 72.46 O HETATM 1452 O HOH 122 8.969 -4.473 41.176 1.00 64.73 O HETATM 1453 O HOH 123 31.433 -20.564 30.237 1.00 65.48 O HETATM 1454 O HOH 124 10.793 -4.104 42.860 1.00 48.41 O HETATM 1455 O HOH 125 7.435 -13.133 23.062 1.00 72.18 O HETATM 1456 O HOH 126 24.036 17.262 44.212 1.00 65.84 O HETATM 1457 O HOH 127 33.790 0.985 25.515 1.00 70.86 O HETATM 1458 O HOH 128 0.545 8.360 52.605 1.00 59.28 O HETATM 1459 O HOH 129 4.449 -15.103 27.636 1.00 71.92 O HETATM 1460 O HOH 130 36.699 -17.973 24.044 1.00 70.39 O HETATM 1461 O HOH 131 15.353 4.361 24.936 1.00 52.49 O HETATM 1462 O HOH 132 3.466 3.220 27.641 1.00 67.55 O HETATM 1463 O HOH 133 9.295 1.169 26.115 1.00 38.74 O HETATM 1464 O HOH 134 11.581 7.205 24.134 1.00 59.53 O HETATM 1465 O HOH 135 16.357 6.281 22.027 1.00 58.20 O HETATM 1466 O HOH 136 1.111 8.928 33.233 1.00 60.49 O HETATM 1467 O HOH 137 8.443 5.420 26.127 1.00 37.63 O HETATM 1468 O HOH 138 6.369 3.907 25.563 1.00 55.25 O HETATM 1469 O HOH 139 19.568 7.037 25.105 1.00 53.49 O HETATM 1470 O HOH 140 14.131 6.259 22.100 1.00 55.34 O HETATM 1471 O HOH 141 6.461 -3.892 33.287 1.00 62.21 O HETATM 1472 O HOH 142 2.211 4.941 35.752 1.00 62.47 O HETATM 1473 O HOH 143 7.180 -0.974 26.094 1.00 50.16 O HETATM 1474 O HOH 144 8.507 8.594 26.389 1.00 46.97 O HETATM 1475 O HOH 145 -2.112 6.369 34.858 1.00 67.91 O HETATM 1476 N LYS A 146 16.916 8.577 23.785 1.00 0.24 N HETATM 1477 CA LYS A 146 16.312 9.053 25.027 1.00 0.07 C HETATM 1478 C LYS A 146 15.661 7.893 25.773 1.00 0.23 C HETATM 1479 O LYS A 146 15.509 6.800 25.226 1.00 -0.39 O HETATM 1480 N LYS A 146 15.258 8.144 27.013 1.00 -0.26 N HETATM 1481 CA LYS A 146 14.682 7.092 27.834 1.00 0.13 C HETATM 1482 C LYS A 146 13.296 6.718 27.341 1.00 0.20 C HETATM 1483 O LYS A 146 12.575 7.534 26.759 1.00 -0.39 O HETATM 1484 N LYS A 146 12.924 5.464 27.577 1.00 -0.26 N HETATM 1485 CA LYS A 146 11.575 4.991 27.329 1.00 0.14 C HETATM 1486 C LYS A 146 10.979 4.450 28.622 1.00 0.21 C HETATM 1487 O LYS A 146 11.691 4.176 29.594 1.00 -0.39 O HETATM 1488 N LYS A 146 9.660 4.296 28.621 1.00 -0.26 N HETATM 1489 CA LYS A 146 8.922 3.726 29.739 1.00 0.16 C HETATM 1490 C LYS A 146 8.063 2.573 29.234 1.00 0.21 C HETATM 1491 O LYS A 146 7.666 2.541 28.066 1.00 -0.39 O HETATM 1492 N LYS A 146 7.779 1.619 30.123 1.00 -0.26 N HETATM 1493 CA LYS A 146 6.936 0.478 29.793 1.00 0.16 C HETATM 1494 C LYS A 146 5.516 0.617 30.341 1.00 0.21 C HETATM 1495 O LYS A 146 4.786 -0.378 30.415 1.00 -0.39 O HETATM 1496 N LYS A 146 5.110 1.824 30.727 1.00 -0.26 N HETATM 1497 CA LYS A 146 3.791 2.124 31.251 1.00 0.16 C HETATM 1498 C LYS A 146 3.285 3.417 30.628 1.00 0.21 C HETATM 1499 O LYS A 146 4.051 4.143 29.985 1.00 -0.39 O HETATM 1500 N LYS A 146 1.981 3.736 30.775 1.00 -0.26 N HETATM 1501 CA LYS A 146 1.496 4.958 30.118 1.00 0.10 C HETATM 1502 C LYS A 146 2.035 6.248 30.736 1.00 0.06 C HETATM 1503 O LYS A 146 1.994 6.397 31.956 1.00 -0.57 O HETATM 1504 OXT LYS A 146 2.502 7.119 30.005 1.00 -0.57 O HETATM 1505 CB LYS A 146 -0.023 4.874 30.301 1.00 -0.02 C HETATM 1506 CG LYS A 146 -0.201 4.059 31.528 1.00 -0.03 C HETATM 1507 CD LYS A 146 0.887 3.028 31.467 1.00 0.04 C HETATM 1508 H49 LYS A 146 1.194 2.718 32.477 1.00 0.05 H HETATM 1509 H50 LYS A 146 0.563 2.146 30.895 1.00 0.05 H HETATM 1510 H47 LYS A 146 -1.190 3.578 31.533 1.00 0.03 H HETATM 1511 H48 LYS A 146 -0.092 4.684 32.427 1.00 0.03 H HETATM 1512 H45 LYS A 146 -0.493 4.383 29.436 1.00 0.03 H HETATM 1513 H46 LYS A 146 -0.455 5.877 30.433 1.00 0.03 H HETATM 1514 H44 LYS A 146 1.761 4.942 29.051 1.00 0.07 H HETATM 1515 CB LYS A 146 3.829 2.244 32.786 1.00 0.09 C HETATM 1516 OG1 LYS A 146 4.802 3.225 33.166 1.00 -0.39 O HETATM 1517 H40 LYS A 146 5.657 2.961 32.848 1.00 0.21 H HETATM 1518 CG2 LYS A 146 4.169 0.901 33.427 1.00 -0.03 C HETATM 1519 H41 LYS A 146 4.190 1.012 34.521 1.00 0.03 H HETATM 1520 H42 LYS A 146 5.155 0.565 33.073 1.00 0.03 H HETATM 1521 H43 LYS A 146 3.407 0.158 33.148 1.00 0.03 H HETATM 1522 H39 LYS A 146 2.839 2.565 33.142 1.00 0.06 H HETATM 1523 H38 LYS A 146 3.107 1.307 30.980 1.00 0.08 H HETATM 1524 H37 LYS A 146 5.761 2.579 30.650 1.00 0.19 H HETATM 1525 CB LYS A 146 7.572 -0.820 30.301 1.00 0.09 C HETATM 1526 OG1 LYS A 146 7.385 -0.933 31.720 1.00 -0.39 O HETATM 1527 H33 LYS A 146 7.795 -0.193 32.152 1.00 0.21 H HETATM 1528 CG2 LYS A 146 9.070 -0.852 29.980 1.00 -0.03 C HETATM 1529 H34 LYS A 146 9.505 -1.791 30.353 1.00 0.03 H HETATM 1530 H35 LYS A 146 9.567 0.001 30.465 1.00 0.03 H HETATM 1531 H36 LYS A 146 9.213 -0.789 28.891 1.00 0.03 H HETATM 1532 H32 LYS A 146 7.083 -1.672 29.805 1.00 0.06 H HETATM 1533 H31 LYS A 146 6.867 0.420 28.697 1.00 0.08 H HETATM 1534 H30 LYS A 146 8.157 1.690 31.046 1.00 0.19 H HETATM 1535 CB LYS A 146 8.036 4.790 30.427 1.00 0.09 C HETATM 1536 OG1 LYS A 146 7.323 4.211 31.534 1.00 -0.39 O HETATM 1537 H26 LYS A 146 7.945 3.870 32.166 1.00 0.21 H HETATM 1538 CG2 LYS A 146 7.040 5.395 29.430 1.00 -0.03 C HETATM 1539 H27 LYS A 146 6.422 6.148 29.941 1.00 0.03 H HETATM 1540 H28 LYS A 146 6.394 4.600 29.029 1.00 0.03 H HETATM 1541 H29 LYS A 146 7.590 5.871 28.605 1.00 0.03 H HETATM 1542 H25 LYS A 146 8.685 5.593 30.806 1.00 0.06 H HETATM 1543 H24 LYS A 146 9.641 3.340 30.477 1.00 0.08 H HETATM 1544 H23 LYS A 146 9.148 4.586 27.812 1.00 0.19 H HETATM 1545 CB LYS A 146 11.550 3.904 26.245 1.00 0.04 C HETATM 1546 CG LYS A 146 12.305 2.651 26.660 1.00 0.04 C HETATM 1547 OD1 LYS A 146 13.543 2.643 26.512 1.00 -0.57 O HETATM 1548 OD2 LYS A 146 11.660 1.683 27.125 1.00 -0.57 O HETATM 1549 H21 LYS A 146 12.010 4.307 25.331 1.00 0.05 H HETATM 1550 H22 LYS A 146 10.504 3.634 26.040 1.00 0.05 H HETATM 1551 H20 LYS A 146 10.965 5.839 26.985 1.00 0.08 H HETATM 1552 H19 LYS A 146 13.600 4.822 27.939 1.00 0.19 H HETATM 1553 CB LYS A 146 14.608 7.535 29.295 1.00 -0.02 C HETATM 1554 H16 LYS A 146 14.170 6.728 29.901 1.00 0.03 H HETATM 1555 H17 LYS A 146 13.980 8.435 29.374 1.00 0.03 H HETATM 1556 H18 LYS A 146 15.620 7.761 29.661 1.00 0.03 H HETATM 1557 H15 LYS A 146 15.329 6.205 27.767 1.00 0.08 H HETATM 1558 H14 LYS A 146 15.352 9.067 27.386 1.00 0.19 H HETATM 1559 CB LYS A 146 15.272 10.140 24.744 1.00 0.01 C HETATM 1560 CG LYS A 146 14.026 9.610 24.039 1.00 -0.05 C HETATM 1561 CD LYS A 146 13.134 10.736 23.521 1.00 -0.06 C HETATM 1562 CE LYS A 146 11.997 10.186 22.676 1.00 -0.07 C HETATM 1563 H11 LYS A 146 11.372 11.017 22.317 1.00 0.02 H HETATM 1564 H12 LYS A 146 11.385 9.503 23.284 1.00 0.02 H HETATM 1565 H13 LYS A 146 12.411 9.640 21.815 1.00 0.02 H HETATM 1566 H9 LYS A 146 13.739 11.421 22.908 1.00 0.03 H HETATM 1567 H10 LYS A 146 12.713 11.284 24.377 1.00 0.03 H HETATM 1568 H7 LYS A 146 13.449 9.000 24.750 1.00 0.03 H HETATM 1569 H8 LYS A 146 14.338 8.986 23.189 1.00 0.03 H HETATM 1570 H5 LYS A 146 15.734 10.909 24.107 1.00 0.03 H HETATM 1571 H6 LYS A 146 14.968 10.591 25.700 1.00 0.03 H HETATM 1572 H4 LYS A 146 17.104 9.481 25.660 1.00 0.11 H HETATM 1573 H1 LYS A 146 17.343 9.351 23.301 1.00 0.20 H HETATM 1574 H2 LYS A 146 16.204 8.167 23.201 1.00 0.20 H HETATM 1575 H3 LYS A 146 17.618 7.885 23.996 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1476 1477 1573 1574 1575 CONECT 1477 1476 1478 1559 1572 CONECT 1478 1477 1479 1480 CONECT 1479 1478 CONECT 1480 1478 1481 1558 CONECT 1481 1480 1482 1553 1557 CONECT 1482 1481 1483 1484 CONECT 1483 1482 CONECT 1484 1482 1485 1552 CONECT 1485 1484 1486 1545 1551 CONECT 1486 1485 1487 1488 CONECT 1487 1486 CONECT 1488 1486 1489 1544 CONECT 1489 1488 1490 1535 1543 CONECT 1490 1489 1491 1492 CONECT 1491 1490 CONECT 1492 1490 1493 1534 CONECT 1493 1492 1494 1525 1533 CONECT 1494 1493 1495 1496 CONECT 1495 1494 CONECT 1496 1494 1497 1524 CONECT 1497 1496 1498 1515 1523 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 1501 1507 CONECT 1501 1500 1502 1505 1514 CONECT 1502 1501 1503 1504 CONECT 1503 1502 CONECT 1504 1502 CONECT 1505 1501 1506 1512 1513 CONECT 1506 1505 1507 1510 1511 CONECT 1507 1500 1506 1508 1509 CONECT 1508 1507 CONECT 1509 1507 CONECT 1510 1506 CONECT 1511 1506 CONECT 1512 1505 CONECT 1513 1505 CONECT 1514 1501 CONECT 1515 1497 1516 1518 1522 CONECT 1516 1515 1517 CONECT 1517 1516 CONECT 1518 1515 1519 1520 1521 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1518 CONECT 1522 1515 CONECT 1523 1497 CONECT 1524 1496 CONECT 1525 1493 1526 1528 1532 CONECT 1526 1525 1527 CONECT 1527 1526 CONECT 1528 1525 1529 1530 1531 CONECT 1529 1528 CONECT 1530 1528 CONECT 1531 1528 CONECT 1532 1525 CONECT 1533 1493 CONECT 1534 1492 CONECT 1535 1489 1536 1538 1542 CONECT 1536 1535 1537 CONECT 1537 1536 CONECT 1538 1535 1539 1540 1541 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1538 CONECT 1542 1535 CONECT 1543 1489 CONECT 1544 1488 CONECT 1545 1485 1546 1549 1550 CONECT 1546 1545 1547 1548 CONECT 1547 1546 CONECT 1548 1546 CONECT 1549 1545 CONECT 1550 1545 CONECT 1551 1485 CONECT 1552 1484 CONECT 1553 1481 1554 1555 1556 CONECT 1554 1553 CONECT 1555 1553 CONECT 1556 1553 CONECT 1557 1481 CONECT 1558 1480 CONECT 1559 1477 1560 1570 1571 CONECT 1560 1559 1561 1568 1569 CONECT 1561 1560 1562 1566 1567 CONECT 1562 1561 1563 1564 1565 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1562 CONECT 1566 1561 CONECT 1567 1561 CONECT 1568 1560 CONECT 1569 1560 CONECT 1570 1559 CONECT 1571 1559 CONECT 1572 1477 CONECT 1573 1476 CONECT 1574 1476 CONECT 1575 1476 MASTER 0 0 0 0 0 0 0 0 1574 1 104 11 END
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Protein Sequence Similarity
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145aa, >3IVV_1|Chain... at 99%
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9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
6i68
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SPOP(M117V)
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=13uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Mol.Biol. Vol. 431: pp. 2213-2221
Ligand Properties
Formula
C
3
0
H
5
2
N
7
O
1
3
Molecular Weight
718.773
Exact Mass
718.362
No. of atoms
102
No. of bonds
102
Polar Surface Area
328.74
LOGP Value
-3.18 (
Computed with XLOGP3
)
-3.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 1
Canonical SMILES
CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@H](O)C)[C@H](O)C)[C@H](O)C)CC(=O)O)C)[NH3+]
InChI String
InChI=1S/C30H51N7O13/c1-6-7-9-17(31)25(44)32-13(2)24(43)33-18(12-20(41)42)26(45)34-21(14(3)38)27(46)35-22(15(4)39)28(47)36-23(16(5)40)29(48)37-11-8-10-19(37)30(49)50/h13-19,21-23,38-40H,6-12,31H2,1-5H3,(H,32,44)(H,33,43)(H,34,45)(H,35,46)(H,36,47)(H,41,42)(H,49,50)/p+1/t13-,14+,15+,16+,17-,18-,19-,21-,22-,23-/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):
Q15059
O43791
Entrez Gene ID
NCBI Entrez Gene ID:
8019
8405
ASD
Information of known allosteric effects of PDB entries
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