Browse entries in the PDBbind-CN Database
HEADER 6QTM_COMPLEX COMPND 6QTM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 91 LEU SER LYS SER SER TRP ARG GLN GLU TRP LEU ALA ASN SEQRES 2 A 91 LEU LYS LEU ILE SER VAL SER LEU VAL ASP GLU PHE PRO SEQRES 3 A 91 SER GLU LEU SER ASP SER ASP ARG GLN ILE ILE ASN GLU SEQRES 4 A 91 LYS MSE GLN LEU LEU LYS ASP ILE PHE ALA ASN ASN LEU SEQRES 5 A 91 LYS SER ALA ILE SER ASN ASN PHE ARG GLU SER ASP ILE SEQRES 6 A 91 ILE ILE LEU LYS GLY GLU ILE GLU ASP TYR PRO MSE SER SEQRES 7 A 91 SER GLU ILE LYS ILE TYR TYR ASN GLU LEU GLN ASN LYS SEQRES 1 A 21 LYS ALA ARG PHE TRP SER PHE MSE LYS THR GLN ARG PHE SEQRES 2 A 21 VAL SER ASN MSE GLY PHE ASP ILE HET MSE A1009 9 HET MSE A1045 9 HET MSE A1071 9 HET MSE A1080 9 HET SER A 115 137 ATOM 1 N LEU A 969 17.272 37.699 25.052 1.00 97.85 N ATOM 2 CA LEU A 969 16.900 38.712 24.048 1.00 97.56 C ATOM 3 C LEU A 969 17.800 38.661 22.769 1.00 99.94 C ATOM 4 O LEU A 969 17.656 39.511 21.880 1.00 99.88 O ATOM 5 CB LEU A 969 16.831 40.158 24.661 1.00 97.67 C ATOM 6 CG LEU A 969 17.703 40.526 25.914 1.00101.96 C ATOM 7 CD1 LEU A 969 19.177 40.759 25.543 1.00101.93 C ATOM 8 CD2 LEU A 969 17.152 41.764 26.640 1.00103.08 C ATOM 9 HN3 LEU A 969 18.256 37.853 25.350 1.00 0.00 H ATOM 10 HN2 LEU A 969 17.179 36.750 24.636 1.00 0.00 H ATOM 11 HN1 LEU A 969 16.642 37.781 25.875 1.00 0.00 H ATOM 12 N SER A 970 18.708 37.639 22.677 1.00142.20 N ATOM 13 CA SER A 970 19.654 37.443 21.561 1.00140.13 C ATOM 14 C SER A 970 19.978 35.953 21.241 1.00139.56 C ATOM 15 O SER A 970 19.874 35.099 22.131 1.00139.08 O ATOM 16 CB SER A 970 20.948 38.211 21.833 1.00147.11 C ATOM 17 OG SER A 970 20.714 39.584 22.107 1.00152.60 O ATOM 18 HG SER A 970 21.578 40.037 22.276 1.00 0.00 H ATOM 19 H SER A 970 18.733 36.948 23.454 1.00 0.00 H ATOM 20 N LYS A 971 20.395 35.671 19.955 1.00132.62 N ATOM 21 CA LYS A 971 20.847 34.388 19.341 1.00130.35 C ATOM 22 C LYS A 971 19.694 33.469 18.819 1.00127.06 C ATOM 23 O LYS A 971 19.247 33.622 17.686 1.00120.62 O ATOM 24 CB LYS A 971 21.811 33.572 20.267 1.00136.49 C ATOM 25 CG LYS A 971 23.048 34.313 20.797 1.00142.74 C ATOM 26 CD LYS A 971 24.236 34.273 19.854 1.00145.42 C ATOM 27 CE LYS A 971 24.917 32.931 19.845 1.00151.18 C ATOM 28 NZ LYS A 971 25.959 32.872 18.797 1.00162.73 N ATOM 29 HZ1 LYS A 971 25.523 33.031 17.867 1.00 0.00 H ATOM 30 HZ2 LYS A 971 26.672 33.607 18.977 1.00 0.00 H ATOM 31 HZ3 LYS A 971 26.412 31.936 18.813 1.00 0.00 H ATOM 32 H LYS A 971 20.394 36.486 19.309 1.00 0.00 H ATOM 33 N SER A 972 19.292 32.471 19.640 1.00125.23 N ATOM 34 CA SER A 972 18.229 31.498 19.381 1.00121.48 C ATOM 35 C SER A 972 16.934 31.933 20.056 1.00123.54 C ATOM 36 O SER A 972 15.901 31.331 19.784 1.00120.61 O ATOM 37 CB SER A 972 18.624 30.104 19.871 1.00126.69 C ATOM 38 OG SER A 972 17.569 29.163 19.711 1.00131.22 O ATOM 39 HG SER A 972 16.781 29.461 20.230 1.00 0.00 H ATOM 40 H SER A 972 19.790 32.386 20.549 1.00 0.00 H ATOM 41 N SER A 973 16.978 32.955 20.946 1.00121.60 N ATOM 42 CA SER A 973 15.768 33.491 21.579 1.00119.88 C ATOM 43 C SER A 973 14.860 34.035 20.461 1.00116.69 C ATOM 44 O SER A 973 13.645 33.819 20.459 1.00113.09 O ATOM 45 CB SER A 973 16.141 34.630 22.521 1.00128.23 C ATOM 46 OG SER A 973 16.759 35.683 21.795 1.00139.68 O ATOM 47 HG SER A 973 17.578 35.343 21.356 1.00 0.00 H ATOM 48 H SER A 973 17.899 33.372 21.188 1.00 0.00 H ATOM 49 N TRP A 974 15.499 34.711 19.495 1.00111.54 N ATOM 50 CA TRP A 974 14.893 35.298 18.315 1.00108.04 C ATOM 51 C TRP A 974 14.313 34.176 17.450 1.00105.29 C ATOM 52 O TRP A 974 13.132 34.243 17.100 1.00102.90 O ATOM 53 CB TRP A 974 15.945 36.151 17.570 1.00108.77 C ATOM 54 CG TRP A 974 15.513 36.709 16.248 1.00107.51 C ATOM 55 CD1 TRP A 974 14.937 37.925 16.009 1.00110.58 C ATOM 56 CD2 TRP A 974 15.679 36.085 14.973 1.00104.91 C ATOM 57 NE1 TRP A 974 14.684 38.070 14.665 1.00107.64 N ATOM 58 CE2 TRP A 974 15.139 36.958 14.004 1.00107.32 C ATOM 59 CE3 TRP A 974 16.196 34.847 14.557 1.00105.29 C ATOM 60 CZ2 TRP A 974 15.113 36.638 12.646 1.00104.36 C ATOM 61 CZ3 TRP A 974 16.167 34.530 13.210 1.00104.33 C ATOM 62 CH2 TRP A 974 15.640 35.421 12.272 1.00103.44 C ATOM 63 HE1 TRP A 974 14.223 38.890 14.222 1.00 0.00 H ATOM 64 H TRP A 974 16.527 34.825 19.602 1.00 0.00 H ATOM 65 N ARG A 975 15.111 33.119 17.171 1.00 98.85 N ATOM 66 CA ARG A 975 14.690 31.951 16.377 1.00 94.38 C ATOM 67 C ARG A 975 13.483 31.272 17.033 1.00 94.70 C ATOM 68 O ARG A 975 12.488 31.015 16.363 1.00 91.43 O ATOM 69 CB ARG A 975 15.848 30.961 16.218 1.00 94.74 C ATOM 70 CG ARG A 975 15.709 29.995 15.050 1.00102.06 C ATOM 71 CD ARG A 975 16.931 29.101 14.882 1.00114.35 C ATOM 72 NE ARG A 975 18.123 29.834 14.420 1.00129.14 N ATOM 73 CZ ARG A 975 19.259 29.267 14.013 1.00146.89 C ATOM 74 NH1 ARG A 975 19.377 27.946 13.982 1.00133.51 N ATOM 75 NH2 ARG A 975 20.281 30.022 13.619 1.00136.42 N ATOM 76 HE ARG A 975 18.074 30.873 14.411 1.00 0.00 H ATOM 77 HH12 ARG A 975 20.266 27.511 13.663 1.00 0.00 H ATOM 78 HH11 ARG A 975 18.580 27.346 14.276 1.00 0.00 H ATOM 79 HH22 ARG A 975 21.165 29.576 13.302 1.00 0.00 H ATOM 80 HH21 ARG A 975 20.196 31.058 13.628 1.00 0.00 H ATOM 81 H ARG A 975 16.083 33.132 17.540 1.00 0.00 H ATOM 82 N GLN A 976 13.544 31.069 18.359 1.00 93.31 N ATOM 83 CA GLN A 976 12.473 30.464 19.165 1.00 92.22 C ATOM 84 C GLN A 976 11.203 31.293 19.186 1.00 94.81 C ATOM 85 O GLN A 976 10.115 30.731 19.038 1.00 93.65 O ATOM 86 CB GLN A 976 12.936 30.121 20.592 1.00 95.93 C ATOM 87 CG GLN A 976 13.829 28.882 20.650 1.00 99.57 C ATOM 88 CD GLN A 976 13.204 27.667 20.024 1.00116.74 C ATOM 89 OE1 GLN A 976 12.055 27.294 20.318 1.00112.85 O ATOM 90 NE2 GLN A 976 13.961 27.027 19.145 1.00108.32 N ATOM 91 HE22 GLN A 976 14.917 27.376 18.930 1.00 0.00 H ATOM 92 HE21 GLN A 976 13.599 26.176 18.670 1.00 0.00 H ATOM 93 H GLN A 976 14.412 31.361 18.852 1.00 0.00 H ATOM 94 N GLU A 977 11.338 32.622 19.315 1.00 91.21 N ATOM 95 CA GLU A 977 10.188 33.516 19.295 1.00 89.91 C ATOM 96 C GLU A 977 9.498 33.509 17.927 1.00 89.09 C ATOM 97 O GLU A 977 8.267 33.487 17.871 1.00 87.10 O ATOM 98 CB GLU A 977 10.574 34.927 19.723 1.00 93.83 C ATOM 99 CG GLU A 977 9.515 35.523 20.630 1.00106.05 C ATOM 100 CD GLU A 977 9.494 37.034 20.708 1.00128.59 C ATOM 101 OE1 GLU A 977 10.445 37.623 21.279 1.00 97.07 O ATOM 102 OE2 GLU A 977 8.496 37.624 20.230 1.00132.83 O ATOM 103 H GLU A 977 12.290 33.025 19.432 1.00 0.00 H ATOM 104 N TRP A 978 10.293 33.449 16.835 1.00 84.38 N ATOM 105 CA TRP A 978 9.779 33.360 15.466 1.00 81.74 C ATOM 106 C TRP A 978 9.052 32.060 15.242 1.00 82.81 C ATOM 107 O TRP A 978 7.933 32.077 14.742 1.00 82.26 O ATOM 108 CB TRP A 978 10.888 33.504 14.411 1.00 80.56 C ATOM 109 CG TRP A 978 10.970 34.880 13.844 1.00 82.42 C ATOM 110 CD1 TRP A 978 11.927 35.811 14.112 1.00 87.94 C ATOM 111 CD2 TRP A 978 9.989 35.536 13.023 1.00 81.10 C ATOM 112 NE1 TRP A 978 11.620 37.001 13.488 1.00 87.96 N ATOM 113 CE2 TRP A 978 10.432 36.863 12.819 1.00 86.97 C ATOM 114 CE3 TRP A 978 8.763 35.139 12.460 1.00 80.69 C ATOM 115 CZ2 TRP A 978 9.699 37.797 12.072 1.00 85.98 C ATOM 116 CZ3 TRP A 978 8.041 36.061 11.709 1.00 82.14 C ATOM 117 CH2 TRP A 978 8.508 37.374 11.524 1.00 84.40 C ATOM 118 HE1 TRP A 978 12.198 37.865 13.520 1.00 0.00 H ATOM 119 H TRP A 978 11.323 33.467 16.974 1.00 0.00 H ATOM 120 N LEU A 979 9.674 30.935 15.635 1.00 78.11 N ATOM 121 CA LEU A 979 9.119 29.594 15.483 1.00 76.67 C ATOM 122 C LEU A 979 7.703 29.483 16.043 1.00 79.48 C ATOM 123 O LEU A 979 6.831 28.861 15.424 1.00 78.18 O ATOM 124 CB LEU A 979 10.055 28.564 16.127 1.00 78.34 C ATOM 125 CG LEU A 979 11.130 28.029 15.202 1.00 82.66 C ATOM 126 CD1 LEU A 979 12.430 27.836 15.920 1.00 86.28 C ATOM 127 CD2 LEU A 979 10.711 26.757 14.576 1.00 83.53 C ATOM 128 H LEU A 979 10.611 31.026 16.076 1.00 0.00 H ATOM 129 N ALA A 980 7.480 30.149 17.180 1.00 76.63 N ATOM 130 CA ALA A 980 6.211 30.233 17.888 1.00 76.60 C ATOM 131 C ALA A 980 5.212 31.050 17.090 1.00 78.63 C ATOM 132 O ALA A 980 4.098 30.575 16.880 1.00 78.69 O ATOM 133 CB ALA A 980 6.424 30.844 19.271 1.00 79.51 C ATOM 134 H ALA A 980 8.288 30.654 17.597 1.00 0.00 H ATOM 135 N ASN A 981 5.621 32.247 16.604 1.00 74.10 N ATOM 136 CA ASN A 981 4.752 33.143 15.814 1.00 73.44 C ATOM 137 C ASN A 981 4.304 32.528 14.518 1.00 75.53 C ATOM 138 O ASN A 981 3.134 32.653 14.160 1.00 75.82 O ATOM 139 CB ASN A 981 5.432 34.498 15.522 1.00 75.72 C ATOM 140 CG ASN A 981 5.672 35.342 16.751 1.00113.54 C ATOM 141 OD1 ASN A 981 4.745 35.650 17.521 1.00111.83 O ATOM 142 ND2 ASN A 981 6.920 35.746 16.963 1.00107.55 N ATOM 143 HD22 ASN A 981 7.675 35.473 16.302 1.00 0.00 H ATOM 144 HD21 ASN A 981 7.142 36.336 17.790 1.00 0.00 H ATOM 145 H ASN A 981 6.597 32.550 16.797 1.00 0.00 H ATOM 146 N LEU A 982 5.241 31.873 13.803 1.00 70.42 N ATOM 147 CA LEU A 982 5.002 31.230 12.510 1.00 67.50 C ATOM 148 C LEU A 982 3.929 30.149 12.584 1.00 68.56 C ATOM 149 O LEU A 982 3.185 29.987 11.614 1.00 66.55 O ATOM 150 CB LEU A 982 6.311 30.715 11.892 1.00 66.54 C ATOM 151 CG LEU A 982 7.213 31.806 11.326 1.00 70.21 C ATOM 152 CD1 LEU A 982 8.618 31.310 11.153 1.00 70.32 C ATOM 153 CD2 LEU A 982 6.667 32.344 10.012 1.00 71.23 C ATOM 154 H LEU A 982 6.202 31.821 14.198 1.00 0.00 H ATOM 155 N LYS A 983 3.763 29.512 13.779 1.00 64.53 N ATOM 156 CA LYS A 983 2.726 28.500 13.991 1.00 64.18 C ATOM 157 C LYS A 983 1.352 29.161 13.959 1.00 70.56 C ATOM 158 O LYS A 983 0.345 28.478 13.783 1.00 70.99 O ATOM 159 CB LYS A 983 2.903 27.807 15.339 1.00 66.16 C ATOM 160 CG LYS A 983 4.082 26.882 15.446 1.00 62.28 C ATOM 161 CD LYS A 983 4.192 26.435 16.887 1.00 63.03 C ATOM 162 CE LYS A 983 5.070 25.240 17.077 1.00 78.00 C ATOM 163 NZ LYS A 983 6.307 25.611 17.817 1.00 95.45 N ATOM 164 HZ1 LYS A 983 6.829 26.331 17.278 1.00 0.00 H ATOM 165 HZ2 LYS A 983 6.050 25.993 18.750 1.00 0.00 H ATOM 166 HZ3 LYS A 983 6.903 24.767 17.939 1.00 0.00 H ATOM 167 H LYS A 983 4.396 29.754 14.568 1.00 0.00 H ATOM 168 N LEU A 984 1.318 30.492 14.141 1.00 67.63 N ATOM 169 CA LEU A 984 0.091 31.300 14.166 1.00 67.27 C ATOM 170 C LEU A 984 0.050 32.292 12.997 1.00 65.16 C ATOM 171 O LEU A 984 -0.595 33.345 13.098 1.00 65.02 O ATOM 172 CB LEU A 984 -0.043 32.053 15.516 1.00 68.92 C ATOM 173 CG LEU A 984 -0.119 31.268 16.815 1.00 74.21 C ATOM 174 CD1 LEU A 984 -0.886 29.971 16.676 1.00 73.31 C ATOM 175 CD2 LEU A 984 1.210 31.083 17.418 1.00 79.68 C ATOM 176 H LEU A 984 2.224 30.985 14.274 1.00 0.00 H ATOM 177 N ILE A 985 0.737 31.948 11.898 1.00 57.27 N ATOM 178 CA ILE A 985 0.778 32.787 10.709 1.00 56.37 C ATOM 179 C ILE A 985 0.307 32.054 9.444 1.00 62.99 C ATOM 180 O ILE A 985 0.588 30.862 9.236 1.00 60.03 O ATOM 181 CB ILE A 985 2.179 33.444 10.511 1.00 57.28 C ATOM 182 CG1 ILE A 985 2.454 34.493 11.569 1.00 57.36 C ATOM 183 CG2 ILE A 985 2.328 34.064 9.097 1.00 56.82 C ATOM 184 CD1 ILE A 985 3.869 34.849 11.660 1.00 63.94 C ATOM 185 H ILE A 985 1.260 31.049 11.895 1.00 0.00 H ATOM 186 N SER A 986 -0.385 32.823 8.578 1.00 64.60 N ATOM 187 CA SER A 986 -0.808 32.410 7.235 1.00 64.85 C ATOM 188 C SER A 986 0.202 33.055 6.253 1.00 67.65 C ATOM 189 O SER A 986 0.443 34.265 6.299 1.00 68.24 O ATOM 190 CB SER A 986 -2.232 32.878 6.950 1.00 70.58 C ATOM 191 OG SER A 986 -3.118 31.778 6.867 1.00 80.27 O ATOM 192 HG SER A 986 -4.033 32.106 6.682 1.00 0.00 H ATOM 193 H SER A 986 -0.638 33.783 8.886 1.00 0.00 H ATOM 194 N VAL A 987 0.851 32.227 5.442 1.00 62.90 N ATOM 195 CA VAL A 987 1.858 32.652 4.465 1.00 62.36 C ATOM 196 C VAL A 987 1.381 32.399 3.042 1.00 65.11 C ATOM 197 O VAL A 987 1.034 31.272 2.692 1.00 63.30 O ATOM 198 CB VAL A 987 3.257 32.018 4.733 1.00 65.05 C ATOM 199 CG1 VAL A 987 4.268 32.384 3.640 1.00 63.92 C ATOM 200 CG2 VAL A 987 3.771 32.448 6.092 1.00 65.39 C ATOM 201 H VAL A 987 0.631 31.213 5.504 1.00 0.00 H ATOM 202 N SER A 988 1.359 33.437 2.234 1.00 63.21 N ATOM 203 CA SER A 988 0.986 33.256 0.844 1.00 64.41 C ATOM 204 C SER A 988 2.204 33.532 -0.016 1.00 69.54 C ATOM 205 O SER A 988 2.943 34.493 0.263 1.00 70.11 O ATOM 206 CB SER A 988 -0.180 34.152 0.449 1.00 68.42 C ATOM 207 OG SER A 988 -0.716 33.650 -0.764 1.00 78.70 O ATOM 208 HG SER A 988 -1.026 32.720 -0.626 1.00 0.00 H ATOM 209 H SER A 988 1.608 34.382 2.590 1.00 0.00 H ATOM 210 N LEU A 989 2.469 32.637 -0.992 1.00 64.47 N ATOM 211 CA LEU A 989 3.578 32.794 -1.928 1.00 63.79 C ATOM 212 C LEU A 989 2.949 33.166 -3.275 1.00 73.54 C ATOM 213 O LEU A 989 2.097 32.437 -3.826 1.00 75.01 O ATOM 214 CB LEU A 989 4.484 31.547 -2.007 1.00 62.20 C ATOM 215 CG LEU A 989 5.297 31.234 -0.726 1.00 64.92 C ATOM 216 CD1 LEU A 989 4.596 30.220 0.148 1.00 63.97 C ATOM 217 CD2 LEU A 989 6.658 30.691 -1.046 1.00 66.88 C ATOM 218 H LEU A 989 1.857 31.801 -1.080 1.00 0.00 H ATOM 219 N VAL A 990 3.309 34.385 -3.723 1.00 71.21 N ATOM 220 CA VAL A 990 2.912 35.125 -4.922 1.00 71.63 C ATOM 221 C VAL A 990 3.108 34.330 -6.221 1.00 74.37 C ATOM 222 O VAL A 990 4.057 33.557 -6.320 1.00 72.76 O ATOM 223 CB VAL A 990 3.720 36.448 -4.866 1.00 76.08 C ATOM 224 CG1 VAL A 990 4.131 36.987 -6.231 1.00 77.26 C ATOM 225 CG2 VAL A 990 2.980 37.492 -4.051 1.00 76.91 C ATOM 226 H VAL A 990 3.985 34.886 -3.112 1.00 0.00 H ATOM 227 N ASP A 991 2.204 34.538 -7.212 1.00 72.22 N ATOM 228 CA ASP A 991 2.213 33.908 -8.549 1.00 72.43 C ATOM 229 C ASP A 991 2.866 34.779 -9.640 1.00 73.26 C ATOM 230 O ASP A 991 3.349 34.242 -10.642 1.00 73.42 O ATOM 231 CB ASP A 991 0.775 33.552 -8.988 1.00 76.85 C ATOM 232 CG ASP A 991 -0.091 34.750 -9.357 1.00 93.12 C ATOM 233 OD1 ASP A 991 -0.565 35.453 -8.426 1.00 93.91 O ATOM 234 OD2 ASP A 991 -0.251 35.016 -10.578 1.00100.34 O ATOM 235 H ASP A 991 1.431 35.204 -7.011 1.00 0.00 H ATOM 236 N GLU A 992 2.784 36.118 -9.473 1.00 67.85 N ATOM 237 CA GLU A 992 3.277 37.147 -10.390 1.00 67.99 C ATOM 238 C GLU A 992 4.780 37.342 -10.250 1.00 72.87 C ATOM 239 O GLU A 992 5.358 37.039 -9.195 1.00 70.86 O ATOM 240 CB GLU A 992 2.538 38.479 -10.167 1.00 70.70 C ATOM 241 CG GLU A 992 1.039 38.402 -10.405 1.00 82.17 C ATOM 242 CD GLU A 992 0.268 39.685 -10.180 1.00 99.56 C ATOM 243 OE1 GLU A 992 0.153 40.114 -9.009 1.00 84.56 O ATOM 244 OE2 GLU A 992 -0.246 40.246 -11.176 1.00 86.41 O ATOM 245 H GLU A 992 2.323 36.452 -8.603 1.00 0.00 H ATOM 246 N PHE A 993 5.414 37.870 -11.307 1.00 71.63 N ATOM 247 CA PHE A 993 6.858 38.110 -11.327 1.00 71.01 C ATOM 248 C PHE A 993 7.192 39.598 -11.534 1.00 78.76 C ATOM 249 O PHE A 993 6.397 40.336 -12.124 1.00 79.61 O ATOM 250 CB PHE A 993 7.496 37.308 -12.478 1.00 72.17 C ATOM 251 CG PHE A 993 7.796 35.848 -12.259 1.00 70.65 C ATOM 252 CD1 PHE A 993 6.837 34.877 -12.527 1.00 71.70 C ATOM 253 CD2 PHE A 993 9.070 35.432 -11.895 1.00 72.31 C ATOM 254 CE1 PHE A 993 7.137 33.516 -12.400 1.00 71.34 C ATOM 255 CE2 PHE A 993 9.357 34.069 -11.730 1.00 73.93 C ATOM 256 CZ PHE A 993 8.393 33.120 -12.005 1.00 70.93 C ATOM 257 H PHE A 993 4.856 38.120 -12.148 1.00 0.00 H ATOM 258 N PRO A 994 8.404 40.039 -11.157 1.00 78.25 N ATOM 259 CA PRO A 994 8.813 41.413 -11.491 1.00 81.56 C ATOM 260 C PRO A 994 9.089 41.496 -12.993 1.00 88.30 C ATOM 261 O PRO A 994 9.336 40.466 -13.641 1.00 86.40 O ATOM 262 CB PRO A 994 10.124 41.600 -10.714 1.00 83.45 C ATOM 263 CG PRO A 994 10.262 40.403 -9.829 1.00 85.33 C ATOM 264 CD PRO A 994 9.485 39.307 -10.470 1.00 79.06 C ATOM 265 N SER A 995 9.065 42.721 -13.545 1.00 89.39 N ATOM 266 CA SER A 995 9.284 42.997 -14.979 1.00 91.57 C ATOM 267 C SER A 995 10.647 42.545 -15.547 1.00 96.89 C ATOM 268 O SER A 995 11.626 42.386 -14.805 1.00 96.11 O ATOM 269 CB SER A 995 9.073 44.482 -15.274 1.00 96.40 C ATOM 270 OG SER A 995 7.743 44.894 -15.010 1.00100.25 O ATOM 271 HG SER A 995 7.651 45.858 -15.214 1.00 0.00 H ATOM 272 H SER A 995 8.879 43.531 -12.919 1.00 0.00 H ATOM 273 N GLU A 996 10.671 42.326 -16.878 1.00 94.97 N ATOM 274 CA GLU A 996 11.825 42.016 -17.724 1.00 95.84 C ATOM 275 C GLU A 996 12.563 40.696 -17.404 1.00 97.97 C ATOM 276 O GLU A 996 13.800 40.682 -17.444 1.00 99.82 O ATOM 277 CB GLU A 996 12.813 43.209 -17.721 1.00 99.86 C ATOM 278 CG GLU A 996 12.262 44.443 -18.416 1.00114.62 C ATOM 279 CD GLU A 996 12.905 45.752 -18.009 1.00134.96 C ATOM 280 OE1 GLU A 996 12.641 46.211 -16.875 1.00142.62 O ATOM 281 OE2 GLU A 996 13.633 46.342 -18.840 1.00119.17 O ATOM 282 H GLU A 996 9.754 42.385 -17.365 1.00 0.00 H ATOM 283 N LEU A 997 11.839 39.571 -17.204 1.00 90.43 N ATOM 284 CA LEU A 997 12.550 38.311 -16.912 1.00 87.24 C ATOM 285 C LEU A 997 12.500 37.261 -18.022 1.00 88.22 C ATOM 286 O LEU A 997 11.472 37.134 -18.686 1.00 88.87 O ATOM 287 CB LEU A 997 12.081 37.692 -15.600 1.00 84.45 C ATOM 288 CG LEU A 997 12.442 38.446 -14.346 1.00 88.54 C ATOM 289 CD1 LEU A 997 11.559 38.007 -13.208 1.00 86.71 C ATOM 290 CD2 LEU A 997 13.918 38.273 -13.999 1.00 90.75 C ATOM 291 H LEU A 997 10.800 39.593 -17.255 1.00 0.00 H ATOM 292 N SER A 998 13.606 36.506 -18.222 1.00 80.78 N ATOM 293 CA SER A 998 13.660 35.454 -19.243 1.00 79.23 C ATOM 294 C SER A 998 13.043 34.189 -18.687 1.00 79.80 C ATOM 295 O SER A 998 12.867 34.085 -17.459 1.00 76.20 O ATOM 296 CB SER A 998 15.094 35.202 -19.704 1.00 81.86 C ATOM 297 OG SER A 998 15.945 34.601 -18.741 1.00 80.90 O ATOM 298 HG SER A 998 15.575 33.721 -18.479 1.00 0.00 H ATOM 299 H SER A 998 14.445 36.678 -17.632 1.00 0.00 H ATOM 300 N ASP A 999 12.705 33.229 -19.583 1.00 77.15 N ATOM 301 CA ASP A 999 12.089 31.949 -19.199 1.00 76.27 C ATOM 302 C ASP A 999 12.930 31.169 -18.148 1.00 82.68 C ATOM 303 O ASP A 999 12.352 30.598 -17.203 1.00 81.03 O ATOM 304 CB ASP A 999 11.737 31.072 -20.423 1.00 79.33 C ATOM 305 CG ASP A 999 10.421 31.409 -21.128 1.00 90.68 C ATOM 306 OD1 ASP A 999 9.439 31.731 -20.429 1.00 88.33 O ATOM 307 OD2 ASP A 999 10.376 31.335 -22.394 1.00101.47 O ATOM 308 H ASP A 999 12.890 33.406 -20.591 1.00 0.00 H ATOM 309 N SER A1000 14.292 31.200 -18.297 1.00 81.37 N ATOM 310 CA SER A1000 15.277 30.586 -17.392 1.00 80.82 C ATOM 311 C SER A1000 15.262 31.304 -16.058 1.00 82.49 C ATOM 312 O SER A1000 15.094 30.653 -15.018 1.00 81.73 O ATOM 313 CB SER A1000 16.679 30.636 -17.984 1.00 88.16 C ATOM 314 OG SER A1000 17.070 31.977 -18.230 1.00104.20 O ATOM 315 HG SER A1000 16.437 32.392 -18.868 1.00 0.00 H ATOM 316 H SER A1000 14.664 31.704 -19.127 1.00 0.00 H ATOM 317 N ASP A1001 15.386 32.654 -16.092 1.00 77.80 N ATOM 318 CA ASP A1001 15.342 33.519 -14.915 1.00 75.97 C ATOM 319 C ASP A1001 14.123 33.140 -14.063 1.00 75.04 C ATOM 320 O ASP A1001 14.271 32.795 -12.889 1.00 72.95 O ATOM 321 CB ASP A1001 15.286 35.002 -15.332 1.00 80.29 C ATOM 322 CG ASP A1001 16.586 35.624 -15.845 1.00101.32 C ATOM 323 OD1 ASP A1001 17.634 34.930 -15.822 1.00104.77 O ATOM 324 OD2 ASP A1001 16.548 36.802 -16.298 1.00108.21 O ATOM 325 H ASP A1001 15.522 33.105 -17.019 1.00 0.00 H ATOM 326 N ARG A1002 12.944 33.090 -14.694 1.00 70.33 N ATOM 327 CA ARG A1002 11.686 32.691 -14.058 1.00 67.59 C ATOM 328 C ARG A1002 11.708 31.263 -13.491 1.00 66.97 C ATOM 329 O ARG A1002 11.217 31.053 -12.383 1.00 63.04 O ATOM 330 CB ARG A1002 10.519 32.848 -15.038 1.00 69.34 C ATOM 331 CG ARG A1002 10.049 34.277 -15.209 1.00 75.41 C ATOM 332 CD ARG A1002 8.732 34.292 -15.943 1.00 84.50 C ATOM 333 NE ARG A1002 8.935 34.101 -17.370 1.00 96.05 N ATOM 334 CZ ARG A1002 9.083 35.101 -18.225 1.00115.98 C ATOM 335 NH1 ARG A1002 9.011 36.358 -17.803 1.00105.24 N ATOM 336 NH2 ARG A1002 9.288 34.856 -19.512 1.00105.64 N ATOM 337 HE ARG A1002 8.966 33.129 -17.738 1.00 0.00 H ATOM 338 HH12 ARG A1002 9.128 37.141 -18.478 1.00 0.00 H ATOM 339 HH11 ARG A1002 8.838 36.560 -16.798 1.00 0.00 H ATOM 340 HH22 ARG A1002 9.404 35.645 -20.180 1.00 0.00 H ATOM 341 HH21 ARG A1002 9.333 33.875 -19.854 1.00 0.00 H ATOM 342 H ARG A1002 12.919 33.351 -15.700 1.00 0.00 H ATOM 343 N GLN A1003 12.275 30.290 -14.245 1.00 65.74 N ATOM 344 CA GLN A1003 12.375 28.896 -13.808 1.00 65.86 C ATOM 345 C GLN A1003 13.193 28.766 -12.539 1.00 72.05 C ATOM 346 O GLN A1003 12.711 28.185 -11.565 1.00 70.92 O ATOM 347 CB GLN A1003 12.914 27.968 -14.918 1.00 68.70 C ATOM 348 CG GLN A1003 13.116 26.501 -14.482 1.00 82.61 C ATOM 349 CD GLN A1003 11.870 25.713 -14.072 1.00100.44 C ATOM 350 OE1 GLN A1003 10.799 26.249 -13.738 1.00 96.66 O ATOM 351 NE2 GLN A1003 12.007 24.397 -14.039 1.00 90.41 N ATOM 352 HE22 GLN A1003 12.908 23.961 -14.321 1.00 0.00 H ATOM 353 HE21 GLN A1003 11.214 23.799 -13.731 1.00 0.00 H ATOM 354 H GLN A1003 12.657 30.545 -15.178 1.00 0.00 H ATOM 355 N ILE A1004 14.417 29.332 -12.552 1.00 71.01 N ATOM 356 CA ILE A1004 15.348 29.357 -11.425 1.00 70.73 C ATOM 357 C ILE A1004 14.637 29.900 -10.170 1.00 70.99 C ATOM 358 O ILE A1004 14.661 29.230 -9.134 1.00 68.58 O ATOM 359 CB ILE A1004 16.617 30.142 -11.858 1.00 76.49 C ATOM 360 CG1 ILE A1004 17.681 29.200 -12.465 1.00 79.55 C ATOM 361 CG2 ILE A1004 17.204 30.990 -10.728 1.00 77.77 C ATOM 362 CD1 ILE A1004 17.511 28.764 -13.976 1.00 93.51 C ATOM 363 H ILE A1004 14.723 29.788 -13.435 1.00 0.00 H ATOM 364 N ILE A1005 13.926 31.049 -10.301 1.00 67.98 N ATOM 365 CA ILE A1005 13.141 31.669 -9.220 1.00 67.15 C ATOM 366 C ILE A1005 12.077 30.697 -8.722 1.00 70.27 C ATOM 367 O ILE A1005 11.980 30.482 -7.515 1.00 68.58 O ATOM 368 CB ILE A1005 12.514 33.037 -9.634 1.00 70.98 C ATOM 369 CG1 ILE A1005 13.606 34.071 -10.032 1.00 73.31 C ATOM 370 CG2 ILE A1005 11.585 33.587 -8.531 1.00 69.76 C ATOM 371 CD1 ILE A1005 13.104 35.262 -10.828 1.00 81.21 C ATOM 372 H ILE A1005 13.936 31.523 -11.227 1.00 0.00 H ATOM 373 N ASN A1006 11.298 30.098 -9.660 1.00 68.60 N ATOM 374 CA ASN A1006 10.221 29.146 -9.352 1.00 68.24 C ATOM 375 C ASN A1006 10.691 27.946 -8.534 1.00 74.28 C ATOM 376 O ASN A1006 10.051 27.627 -7.523 1.00 74.72 O ATOM 377 CB ASN A1006 9.459 28.716 -10.595 1.00 66.00 C ATOM 378 CG ASN A1006 8.306 29.630 -10.915 1.00 85.47 C ATOM 379 OD1 ASN A1006 7.783 30.343 -10.058 1.00 69.78 O ATOM 380 ND2 ASN A1006 7.878 29.635 -12.166 1.00 86.65 N ATOM 381 HD22 ASN A1006 8.334 29.025 -12.874 1.00 0.00 H ATOM 382 HD21 ASN A1006 7.085 30.249 -12.442 1.00 0.00 H ATOM 383 H ASN A1006 11.475 30.327 -10.659 1.00 0.00 H ATOM 384 N GLU A1007 11.839 27.345 -8.908 1.00 70.55 N ATOM 385 CA GLU A1007 12.422 26.230 -8.173 1.00 70.19 C ATOM 386 C GLU A1007 12.682 26.660 -6.719 1.00 73.65 C ATOM 387 O GLU A1007 12.246 25.975 -5.787 1.00 72.23 O ATOM 388 CB GLU A1007 13.732 25.799 -8.833 1.00 73.47 C ATOM 389 CG GLU A1007 13.554 25.093 -10.163 1.00 83.08 C ATOM 390 CD GLU A1007 14.764 25.075 -11.075 1.00105.97 C ATOM 391 OE1 GLU A1007 15.762 25.778 -10.792 1.00 97.13 O ATOM 392 OE2 GLU A1007 14.695 24.368 -12.104 1.00112.47 O ATOM 393 H GLU A1007 12.329 27.692 -9.757 1.00 0.00 H ATOM 394 N LYS A1008 13.342 27.832 -6.536 1.00 71.13 N ATOM 395 CA LYS A1008 13.661 28.386 -5.217 1.00 70.46 C ATOM 396 C LYS A1008 12.405 28.666 -4.411 1.00 73.39 C ATOM 397 O LYS A1008 12.325 28.242 -3.252 1.00 72.37 O ATOM 398 CB LYS A1008 14.532 29.635 -5.328 1.00 73.00 C ATOM 399 CG LYS A1008 15.934 29.382 -5.849 1.00 86.89 C ATOM 400 CD LYS A1008 16.905 30.482 -5.395 1.00100.71 C ATOM 401 CE LYS A1008 17.557 31.194 -6.569 1.00114.55 C ATOM 402 NZ LYS A1008 18.307 32.415 -6.165 1.00124.59 N ATOM 403 HZ1 LYS A1008 17.655 33.086 -5.710 1.00 0.00 H ATOM 404 HZ2 LYS A1008 19.059 32.153 -5.496 1.00 0.00 H ATOM 405 HZ3 LYS A1008 18.728 32.856 -7.007 1.00 0.00 H ATOM 406 H LYS A1008 13.638 28.366 -7.378 1.00 0.00 H HETATM 407 N MSE A1009 11.398 29.309 -5.048 1.00 69.99 N HETATM 408 CA MSE A1009 10.095 29.620 -4.442 1.00 68.95 C HETATM 409 C MSE A1009 9.473 28.341 -3.826 1.00 71.48 C HETATM 410 O MSE A1009 9.104 28.310 -2.632 1.00 69.12 O HETATM 411 CB MSE A1009 9.153 30.231 -5.499 1.00 71.16 C HETATM 412 CG MSE A1009 9.490 31.678 -5.871 1.00 78.15 C HETATM 413 SE MSE A1009 9.352 32.944 -4.411 1.00 85.06 S HETATM 414 CE MSE A1009 7.449 32.856 -4.150 1.00 81.35 C HETATM 415 H MSE A1009 11.557 29.603 -6.033 1.00 0.00 H ATOM 416 N GLN A1010 9.476 27.264 -4.647 1.00 67.13 N ATOM 417 CA GLN A1010 8.986 25.935 -4.290 1.00 66.24 C ATOM 418 C GLN A1010 9.588 25.376 -2.989 1.00 68.46 C ATOM 419 O GLN A1010 8.842 24.820 -2.189 1.00 69.04 O ATOM 420 CB GLN A1010 9.178 24.954 -5.452 1.00 68.39 C ATOM 421 CG GLN A1010 8.128 25.085 -6.539 1.00 66.22 C ATOM 422 CD GLN A1010 8.555 24.340 -7.746 1.00 89.97 C ATOM 423 OE1 GLN A1010 8.960 24.923 -8.756 1.00 94.70 O ATOM 424 NE2 GLN A1010 8.541 23.026 -7.638 1.00 84.38 N ATOM 425 HE22 GLN A1010 8.190 22.580 -6.767 1.00 0.00 H ATOM 426 HE21 GLN A1010 8.881 22.436 -8.424 1.00 0.00 H ATOM 427 H GLN A1010 9.857 27.393 -5.606 1.00 0.00 H ATOM 428 N LEU A1011 10.907 25.519 -2.764 1.00 62.84 N ATOM 429 CA LEU A1011 11.528 25.034 -1.518 1.00 62.25 C ATOM 430 C LEU A1011 11.143 25.925 -0.331 1.00 64.13 C ATOM 431 O LEU A1011 11.000 25.421 0.785 1.00 62.47 O ATOM 432 CB LEU A1011 13.061 25.010 -1.615 1.00 63.16 C ATOM 433 CG LEU A1011 13.678 24.344 -2.816 1.00 67.37 C ATOM 434 CD1 LEU A1011 14.986 24.999 -3.166 1.00 67.47 C ATOM 435 CD2 LEU A1011 13.837 22.856 -2.589 1.00 70.56 C ATOM 436 H LEU A1011 11.500 25.981 -3.483 1.00 0.00 H ATOM 437 N LEU A1012 11.016 27.262 -0.575 1.00 60.21 N ATOM 438 CA LEU A1012 10.661 28.251 0.460 1.00 58.72 C ATOM 439 C LEU A1012 9.281 27.924 0.986 1.00 60.81 C ATOM 440 O LEU A1012 9.057 27.939 2.197 1.00 58.38 O ATOM 441 CB LEU A1012 10.729 29.707 -0.081 1.00 57.95 C ATOM 442 CG LEU A1012 12.121 30.251 -0.468 1.00 61.56 C ATOM 443 CD1 LEU A1012 12.005 31.544 -1.219 1.00 61.24 C ATOM 444 CD2 LEU A1012 13.005 30.448 0.739 1.00 61.58 C ATOM 445 H LEU A1012 11.179 27.602 -1.544 1.00 0.00 H ATOM 446 N LYS A1013 8.391 27.531 0.054 1.00 58.60 N ATOM 447 CA LYS A1013 7.030 27.083 0.312 1.00 58.67 C ATOM 448 C LYS A1013 7.078 25.856 1.230 1.00 64.42 C ATOM 449 O LYS A1013 6.359 25.844 2.234 1.00 64.25 O ATOM 450 CB LYS A1013 6.303 26.809 -1.021 1.00 61.00 C ATOM 451 CG LYS A1013 4.803 26.550 -0.903 1.00 62.41 C ATOM 452 CD LYS A1013 4.448 25.141 -1.345 1.00 68.47 C ATOM 453 CE LYS A1013 2.983 24.840 -1.160 1.00 79.99 C ATOM 454 NZ LYS A1013 2.687 23.389 -1.317 1.00 94.01 N ATOM 455 HZ1 LYS A1013 2.964 23.081 -2.271 1.00 0.00 H ATOM 456 HZ2 LYS A1013 3.222 22.849 -0.608 1.00 0.00 H ATOM 457 HZ3 LYS A1013 1.669 23.228 -1.182 1.00 0.00 H ATOM 458 H LYS A1013 8.704 27.549 -0.938 1.00 0.00 H ATOM 459 N ASP A1014 8.001 24.897 0.966 1.00 63.11 N ATOM 460 CA ASP A1014 8.175 23.707 1.814 1.00 65.99 C ATOM 461 C ASP A1014 8.632 24.057 3.222 1.00 71.69 C ATOM 462 O ASP A1014 7.986 23.612 4.156 1.00 73.03 O ATOM 463 CB ASP A1014 9.121 22.670 1.193 1.00 70.53 C ATOM 464 CG ASP A1014 8.636 22.070 -0.117 1.00 91.93 C ATOM 465 OD1 ASP A1014 7.387 22.062 -0.350 1.00 93.62 O ATOM 466 OD2 ASP A1014 9.500 21.583 -0.907 1.00 98.82 O ATOM 467 H ASP A1014 8.610 25.008 0.130 1.00 0.00 H ATOM 468 N ILE A1015 9.715 24.863 3.390 1.00 67.21 N ATOM 469 CA ILE A1015 10.237 25.301 4.693 1.00 66.07 C ATOM 470 C ILE A1015 9.120 25.942 5.492 1.00 71.45 C ATOM 471 O ILE A1015 8.920 25.573 6.643 1.00 72.18 O ATOM 472 CB ILE A1015 11.460 26.252 4.545 1.00 68.40 C ATOM 473 CG1 ILE A1015 12.660 25.521 3.900 1.00 70.04 C ATOM 474 CG2 ILE A1015 11.861 26.874 5.885 1.00 67.63 C ATOM 475 CD1 ILE A1015 13.692 26.435 3.186 1.00 76.40 C ATOM 476 H ILE A1015 10.209 25.193 2.536 1.00 0.00 H ATOM 477 N PHE A1016 8.351 26.843 4.871 1.00 69.25 N ATOM 478 CA PHE A1016 7.252 27.511 5.553 1.00 70.12 C ATOM 479 C PHE A1016 6.172 26.559 6.014 1.00 73.32 C ATOM 480 O PHE A1016 5.771 26.624 7.168 1.00 73.38 O ATOM 481 CB PHE A1016 6.681 28.646 4.701 1.00 72.70 C ATOM 482 CG PHE A1016 7.371 29.952 5.000 1.00 76.13 C ATOM 483 CD1 PHE A1016 6.794 30.885 5.853 1.00 80.91 C ATOM 484 CD2 PHE A1016 8.642 30.212 4.506 1.00 79.37 C ATOM 485 CE1 PHE A1016 7.454 32.085 6.156 1.00 82.67 C ATOM 486 CE2 PHE A1016 9.303 31.408 4.815 1.00 82.90 C ATOM 487 CZ PHE A1016 8.702 32.337 5.630 1.00 81.51 C ATOM 488 H PHE A1016 8.543 27.072 3.875 1.00 0.00 H ATOM 489 N ALA A1017 5.751 25.635 5.148 1.00 69.29 N ATOM 490 CA ALA A1017 4.711 24.669 5.481 1.00 68.95 C ATOM 491 C ALA A1017 5.165 23.612 6.474 1.00 71.27 C ATOM 492 O ALA A1017 4.592 23.511 7.548 1.00 71.77 O ATOM 493 CB ALA A1017 4.200 24.009 4.214 1.00 70.16 C ATOM 494 H ALA A1017 6.180 25.603 4.201 1.00 0.00 H ATOM 495 N ASN A1018 6.205 22.854 6.119 1.00 67.61 N ATOM 496 CA ASN A1018 6.756 21.705 6.834 1.00 68.96 C ATOM 497 C ASN A1018 7.616 21.992 8.059 1.00 72.68 C ATOM 498 O ASN A1018 7.498 21.276 9.063 1.00 73.14 O ATOM 499 CB ASN A1018 7.560 20.831 5.866 1.00 70.73 C ATOM 500 CG ASN A1018 6.791 20.427 4.641 1.00 97.24 C ATOM 501 OD1 ASN A1018 5.574 20.201 4.704 1.00 88.43 O ATOM 502 ND2 ASN A1018 7.488 20.339 3.502 1.00 91.85 N ATOM 503 HD22 ASN A1018 8.509 20.539 3.500 1.00 0.00 H ATOM 504 HD21 ASN A1018 7.009 20.071 2.619 1.00 0.00 H ATOM 505 H ASN A1018 6.678 23.111 5.229 1.00 0.00 H ATOM 506 N ASN A1019 8.513 22.978 7.958 1.00 67.59 N ATOM 507 CA ASN A1019 9.446 23.274 9.026 1.00 68.29 C ATOM 508 C ASN A1019 9.000 24.387 9.942 1.00 75.46 C ATOM 509 O ASN A1019 9.057 24.241 11.176 1.00 77.46 O ATOM 510 CB ASN A1019 10.826 23.547 8.458 1.00 66.21 C ATOM 511 CG ASN A1019 11.323 22.428 7.589 1.00 84.95 C ATOM 512 OD1 ASN A1019 11.493 22.588 6.371 1.00 80.85 O ATOM 513 ND2 ASN A1019 11.479 21.251 8.185 1.00 74.50 N ATOM 514 HD22 ASN A1019 11.326 21.163 9.210 1.00 0.00 H ATOM 515 HD21 ASN A1019 11.754 20.418 7.627 1.00 0.00 H ATOM 516 H ASN A1019 8.542 23.548 7.089 1.00 0.00 H ATOM 517 N LEU A1020 8.554 25.504 9.364 1.00 70.79 N ATOM 518 CA LEU A1020 8.109 26.650 10.160 1.00 69.98 C ATOM 519 C LEU A1020 6.657 26.520 10.625 1.00 72.88 C ATOM 520 O LEU A1020 6.215 27.317 11.447 1.00 75.04 O ATOM 521 CB LEU A1020 8.387 27.960 9.436 1.00 68.97 C ATOM 522 CG LEU A1020 9.853 28.088 8.948 1.00 73.84 C ATOM 523 CD1 LEU A1020 10.026 29.281 8.048 1.00 74.70 C ATOM 524 CD2 LEU A1020 10.873 28.047 10.096 1.00 72.90 C ATOM 525 H LEU A1020 8.522 25.562 8.326 1.00 0.00 H ATOM 526 N LYS A1021 5.955 25.461 10.168 1.00 66.48 N ATOM 527 CA LYS A1021 4.590 25.066 10.530 1.00 65.83 C ATOM 528 C LYS A1021 3.518 26.155 10.232 1.00 68.82 C ATOM 529 O LYS A1021 2.435 26.157 10.837 1.00 70.04 O ATOM 530 CB LYS A1021 4.535 24.575 11.993 1.00 69.80 C ATOM 531 CG LYS A1021 5.566 23.497 12.307 1.00 95.96 C ATOM 532 CD LYS A1021 4.927 22.200 12.780 1.00114.22 C ATOM 533 CE LYS A1021 5.976 21.165 13.112 1.00127.87 C ATOM 534 NZ LYS A1021 5.746 20.541 14.457 1.00137.21 N ATOM 535 HZ1 LYS A1021 5.774 21.279 15.189 1.00 0.00 H ATOM 536 HZ2 LYS A1021 4.816 20.076 14.468 1.00 0.00 H ATOM 537 HZ3 LYS A1021 6.489 19.837 14.643 1.00 0.00 H ATOM 538 H LYS A1021 6.440 24.853 9.477 1.00 0.00 H ATOM 539 N SER A1022 3.810 27.059 9.272 1.00 63.61 N ATOM 540 CA SER A1022 2.882 28.119 8.847 1.00 62.79 C ATOM 541 C SER A1022 1.842 27.520 7.936 1.00 68.14 C ATOM 542 O SER A1022 2.051 26.409 7.445 1.00 69.93 O ATOM 543 CB SER A1022 3.615 29.235 8.114 1.00 63.75 C ATOM 544 OG SER A1022 4.233 30.089 9.059 1.00 71.75 O ATOM 545 HG SER A1022 3.542 30.479 9.651 1.00 0.00 H ATOM 546 H SER A1022 4.739 27.003 8.809 1.00 0.00 H ATOM 547 N ALA A1023 0.699 28.221 7.737 1.00 63.62 N ATOM 548 CA ALA A1023 -0.376 27.750 6.854 1.00 63.06 C ATOM 549 C ALA A1023 -0.148 28.365 5.503 1.00 67.31 C ATOM 550 O ALA A1023 0.128 29.562 5.425 1.00 67.00 O ATOM 551 CB ALA A1023 -1.725 28.170 7.381 1.00 64.98 C ATOM 552 H ALA A1023 0.578 29.129 8.229 1.00 0.00 H ATOM 553 N ILE A1024 -0.209 27.559 4.434 1.00 63.82 N ATOM 554 CA ILE A1024 0.036 28.101 3.104 1.00 62.09 C ATOM 555 C ILE A1024 -1.254 28.619 2.540 1.00 66.60 C ATOM 556 O ILE A1024 -2.202 27.841 2.354 1.00 69.50 O ATOM 557 CB ILE A1024 0.785 27.103 2.173 1.00 64.47 C ATOM 558 CG1 ILE A1024 2.173 26.698 2.739 1.00 63.34 C ATOM 559 CG2 ILE A1024 0.887 27.638 0.731 1.00 65.86 C ATOM 560 CD1 ILE A1024 3.228 27.871 2.944 1.00 74.46 C ATOM 561 H ILE A1024 -0.431 26.550 4.553 1.00 0.00 H ATOM 562 N SER A1025 -1.302 29.933 2.301 1.00 61.59 N ATOM 563 CA SER A1025 -2.471 30.590 1.729 1.00 64.64 C ATOM 564 C SER A1025 -2.426 30.679 0.197 1.00 70.31 C ATOM 565 O SER A1025 -1.356 30.885 -0.386 1.00 69.23 O ATOM 566 CB SER A1025 -2.672 31.973 2.341 1.00 70.52 C ATOM 567 OG SER A1025 -3.852 32.555 1.808 1.00 85.38 O ATOM 568 HG SER A1025 -3.984 33.453 2.204 1.00 0.00 H ATOM 569 H SER A1025 -0.470 30.512 2.533 1.00 0.00 H ATOM 570 N ASN A1026 -3.585 30.511 -0.444 1.00 69.56 N ATOM 571 CA ASN A1026 -3.717 30.614 -1.897 1.00 71.49 C ATOM 572 C ASN A1026 -4.290 31.989 -2.247 1.00 80.97 C ATOM 573 O ASN A1026 -4.579 32.280 -3.412 1.00 84.29 O ATOM 574 CB ASN A1026 -4.620 29.520 -2.430 1.00 72.80 C ATOM 575 CG ASN A1026 -3.860 28.377 -3.015 1.00 91.73 C ATOM 576 OD1 ASN A1026 -3.543 28.358 -4.220 1.00 92.71 O ATOM 577 ND2 ASN A1026 -3.559 27.400 -2.175 1.00 77.78 N ATOM 578 HD22 ASN A1026 -3.847 27.464 -1.178 1.00 0.00 H ATOM 579 HD21 ASN A1026 -3.034 26.568 -2.512 1.00 0.00 H ATOM 580 H ASN A1026 -4.434 30.297 0.117 1.00 0.00 H ATOM 581 N ASN A1027 -4.448 32.835 -1.230 1.00 77.02 N ATOM 582 CA ASN A1027 -4.956 34.186 -1.381 1.00 78.00 C ATOM 583 C ASN A1027 -3.982 35.081 -0.635 1.00 79.79 C ATOM 584 O ASN A1027 -3.800 34.922 0.571 1.00 80.03 O ATOM 585 CB ASN A1027 -6.371 34.263 -0.799 1.00 78.30 C ATOM 586 CG ASN A1027 -7.167 35.478 -1.196 1.00 86.61 C ATOM 587 OD1 ASN A1027 -6.644 36.548 -1.512 1.00 79.21 O ATOM 588 ND2 ASN A1027 -8.468 35.350 -1.149 1.00 79.82 N ATOM 589 HD22 ASN A1027 -8.892 34.439 -0.880 1.00 0.00 H ATOM 590 HD21 ASN A1027 -9.079 36.159 -1.381 1.00 0.00 H ATOM 591 H ASN A1027 -4.193 32.509 -0.276 1.00 0.00 H ATOM 592 N PHE A1028 -3.296 35.965 -1.343 1.00 75.15 N ATOM 593 CA PHE A1028 -2.309 36.800 -0.664 1.00 74.28 C ATOM 594 C PHE A1028 -2.943 37.838 0.257 1.00 80.10 C ATOM 595 O PHE A1028 -2.285 38.334 1.179 1.00 78.81 O ATOM 596 CB PHE A1028 -1.296 37.432 -1.634 1.00 76.28 C ATOM 597 CG PHE A1028 -1.831 38.211 -2.808 1.00 80.78 C ATOM 598 CD1 PHE A1028 -2.355 39.487 -2.637 1.00 86.95 C ATOM 599 CD2 PHE A1028 -1.727 37.709 -4.095 1.00 83.93 C ATOM 600 CE1 PHE A1028 -2.812 40.221 -3.726 1.00 91.37 C ATOM 601 CE2 PHE A1028 -2.193 38.439 -5.189 1.00 90.06 C ATOM 602 CZ PHE A1028 -2.729 39.693 -4.998 1.00 91.13 C ATOM 603 H PHE A1028 -3.457 36.063 -2.366 1.00 0.00 H ATOM 604 N ARG A1029 -4.229 38.134 0.035 1.00 79.62 N ATOM 605 CA ARG A1029 -4.973 39.080 0.851 1.00 82.17 C ATOM 606 C ARG A1029 -5.329 38.427 2.170 1.00 87.63 C ATOM 607 O ARG A1029 -5.359 39.108 3.196 1.00 89.39 O ATOM 608 CB ARG A1029 -6.194 39.601 0.093 1.00 86.23 C ATOM 609 CG ARG A1029 -5.793 40.343 -1.180 1.00 92.43 C ATOM 610 CD ARG A1029 -6.959 40.741 -2.034 1.00109.59 C ATOM 611 NE ARG A1029 -6.478 41.297 -3.296 1.00129.24 N ATOM 612 CZ ARG A1029 -6.515 42.588 -3.610 1.00143.76 C ATOM 613 NH1 ARG A1029 -7.059 43.466 -2.774 1.00124.31 N ATOM 614 NH2 ARG A1029 -6.032 43.008 -4.774 1.00129.99 N ATOM 615 HE ARG A1029 -6.080 40.639 -3.996 1.00 0.00 H ATOM 616 HH12 ARG A1029 -7.085 44.475 -3.024 1.00 0.00 H ATOM 617 HH11 ARG A1029 -7.458 43.144 -1.869 1.00 0.00 H ATOM 618 HH22 ARG A1029 -6.063 44.019 -5.015 1.00 0.00 H ATOM 619 HH21 ARG A1029 -5.623 42.326 -5.444 1.00 0.00 H ATOM 620 H ARG A1029 -4.718 37.667 -0.756 1.00 0.00 H ATOM 621 N GLU A1030 -5.486 37.090 2.168 1.00 83.47 N ATOM 622 CA GLU A1030 -5.760 36.329 3.390 1.00 83.20 C ATOM 623 C GLU A1030 -4.466 35.730 4.030 1.00 84.14 C ATOM 624 O GLU A1030 -4.418 34.537 4.370 1.00 82.30 O ATOM 625 CB GLU A1030 -6.848 35.259 3.148 1.00 85.68 C ATOM 626 CG GLU A1030 -8.200 35.803 2.718 1.00 96.75 C ATOM 627 CD GLU A1030 -8.804 36.886 3.591 1.00112.54 C ATOM 628 OE1 GLU A1030 -8.883 36.688 4.826 1.00102.71 O ATOM 629 OE2 GLU A1030 -9.213 37.929 3.031 1.00107.83 O ATOM 630 H GLU A1030 -5.410 36.578 1.266 1.00 0.00 H ATOM 631 N SER A1031 -3.433 36.581 4.218 1.00 79.76 N ATOM 632 CA SER A1031 -2.169 36.162 4.823 1.00 77.76 C ATOM 633 C SER A1031 -1.451 37.283 5.582 1.00 83.29 C ATOM 634 O SER A1031 -1.574 38.453 5.192 1.00 85.53 O ATOM 635 CB SER A1031 -1.242 35.556 3.777 1.00 79.35 C ATOM 636 OG SER A1031 -0.587 36.571 3.038 1.00 90.74 O ATOM 637 HG SER A1031 -1.262 37.132 2.580 1.00 0.00 H ATOM 638 H SER A1031 -3.541 37.572 3.921 1.00 0.00 H ATOM 639 N ASP A1032 -0.672 36.902 6.644 1.00 77.69 N ATOM 640 CA ASP A1032 0.144 37.790 7.487 1.00 77.78 C ATOM 641 C ASP A1032 1.555 38.046 6.916 1.00 78.18 C ATOM 642 O ASP A1032 2.152 39.082 7.196 1.00 77.73 O ATOM 643 CB ASP A1032 0.240 37.240 8.904 1.00 80.65 C ATOM 644 CG ASP A1032 -1.082 37.211 9.650 1.00 97.29 C ATOM 645 OD1 ASP A1032 -1.641 38.312 9.922 1.00 99.34 O ATOM 646 OD2 ASP A1032 -1.549 36.090 9.988 1.00103.86 O ATOM 647 H ASP A1032 -0.656 35.888 6.876 1.00 0.00 H ATOM 648 N ILE A1033 2.080 37.093 6.123 1.00 73.02 N ATOM 649 CA ILE A1033 3.366 37.160 5.416 1.00 71.16 C ATOM 650 C ILE A1033 3.153 36.749 3.928 1.00 74.87 C ATOM 651 O ILE A1033 2.607 35.677 3.662 1.00 74.31 O ATOM 652 CB ILE A1033 4.465 36.316 6.130 1.00 72.46 C ATOM 653 CG1 ILE A1033 4.730 36.833 7.568 1.00 73.08 C ATOM 654 CG2 ILE A1033 5.758 36.291 5.310 1.00 72.37 C ATOM 655 CD1 ILE A1033 5.599 35.965 8.412 1.00 74.12 C ATOM 656 H ILE A1033 1.521 36.225 5.999 1.00 0.00 H ATOM 657 N ILE A1034 3.571 37.632 2.977 1.00 71.23 N ATOM 658 CA ILE A1034 3.489 37.507 1.508 1.00 69.28 C ATOM 659 C ILE A1034 4.916 37.352 0.948 1.00 72.05 C ATOM 660 O ILE A1034 5.736 38.244 1.129 1.00 72.53 O ATOM 661 CB ILE A1034 2.763 38.753 0.895 1.00 73.56 C ATOM 662 CG1 ILE A1034 1.261 38.777 1.247 1.00 74.57 C ATOM 663 CG2 ILE A1034 2.965 38.840 -0.613 1.00 73.65 C ATOM 664 CD1 ILE A1034 0.586 40.173 1.222 1.00 78.85 C ATOM 665 H ILE A1034 4.004 38.508 3.333 1.00 0.00 H ATOM 666 N ILE A1035 5.206 36.241 0.268 1.00 67.98 N ATOM 667 CA ILE A1035 6.533 35.988 -0.304 1.00 67.71 C ATOM 668 C ILE A1035 6.562 36.296 -1.816 1.00 73.75 C ATOM 669 O ILE A1035 5.965 35.563 -2.620 1.00 71.61 O ATOM 670 CB ILE A1035 7.028 34.555 -0.001 1.00 69.28 C ATOM 671 CG1 ILE A1035 6.863 34.162 1.488 1.00 69.46 C ATOM 672 CG2 ILE A1035 8.443 34.341 -0.496 1.00 70.10 C ATOM 673 CD1 ILE A1035 7.517 34.995 2.502 1.00 80.85 C ATOM 674 H ILE A1035 4.462 35.526 0.138 1.00 0.00 H ATOM 675 N LEU A1036 7.314 37.367 -2.176 1.00 72.72 N ATOM 676 CA LEU A1036 7.490 37.900 -3.536 1.00 73.28 C ATOM 677 C LEU A1036 8.579 37.192 -4.327 1.00 78.10 C ATOM 678 O LEU A1036 9.502 36.633 -3.734 1.00 76.78 O ATOM 679 CB LEU A1036 7.768 39.419 -3.512 1.00 74.73 C ATOM 680 CG LEU A1036 6.803 40.306 -2.725 1.00 79.01 C ATOM 681 CD1 LEU A1036 7.344 41.693 -2.606 1.00 81.10 C ATOM 682 CD2 LEU A1036 5.434 40.334 -3.353 1.00 80.22 C ATOM 683 H LEU A1036 7.817 37.862 -1.412 1.00 0.00 H ATOM 684 N LYS A1037 8.453 37.205 -5.679 1.00 76.34 N ATOM 685 CA LYS A1037 9.407 36.593 -6.612 1.00 76.00 C ATOM 686 C LYS A1037 10.527 37.598 -6.976 1.00 82.44 C ATOM 687 O LYS A1037 11.276 37.400 -7.936 1.00 83.41 O ATOM 688 CB LYS A1037 8.675 36.053 -7.865 1.00 77.68 C ATOM 689 CG LYS A1037 7.853 34.806 -7.589 1.00 80.79 C ATOM 690 CD LYS A1037 7.082 34.344 -8.819 1.00 80.81 C ATOM 691 CE LYS A1037 6.406 33.016 -8.570 1.00 74.35 C ATOM 692 NZ LYS A1037 5.460 32.646 -9.637 1.00 76.71 N ATOM 693 HZ1 LYS A1037 4.718 33.372 -9.708 1.00 0.00 H ATOM 694 HZ2 LYS A1037 5.969 32.579 -10.542 1.00 0.00 H ATOM 695 HZ3 LYS A1037 5.028 31.727 -9.412 1.00 0.00 H ATOM 696 H LYS A1037 7.622 37.682 -6.082 1.00 0.00 H ATOM 697 N GLY A1038 10.626 38.658 -6.183 1.00 79.76 N ATOM 698 CA GLY A1038 11.607 39.721 -6.350 1.00 81.97 C ATOM 699 C GLY A1038 11.292 40.897 -5.455 1.00 87.57 C ATOM 700 O GLY A1038 10.529 40.754 -4.497 1.00 87.05 O ATOM 701 H GLY A1038 9.958 38.734 -5.389 1.00 0.00 H ATOM 702 N GLU A1039 11.879 42.063 -5.752 1.00 85.76 N ATOM 703 CA GLU A1039 11.622 43.269 -4.970 1.00 87.31 C ATOM 704 C GLU A1039 10.307 43.892 -5.437 1.00 90.95 C ATOM 705 O GLU A1039 10.038 43.919 -6.636 1.00 90.50 O ATOM 706 CB GLU A1039 12.779 44.289 -5.081 1.00 91.89 C ATOM 707 CG GLU A1039 14.188 43.803 -4.757 1.00102.07 C ATOM 708 CD GLU A1039 14.532 43.413 -3.326 1.00118.66 C ATOM 709 OE1 GLU A1039 14.147 44.140 -2.376 1.00 88.35 O ATOM 710 OE2 GLU A1039 15.186 42.360 -3.160 1.00113.65 O ATOM 711 H GLU A1039 12.534 42.111 -6.559 1.00 0.00 H ATOM 712 N ILE A1040 9.490 44.393 -4.491 1.00 87.95 N ATOM 713 CA ILE A1040 8.193 45.010 -4.790 1.00 88.67 C ATOM 714 C ILE A1040 8.319 46.196 -5.779 1.00 96.99 C ATOM 715 O ILE A1040 7.450 46.377 -6.631 1.00 98.31 O ATOM 716 CB ILE A1040 7.436 45.370 -3.486 1.00 91.31 C ATOM 717 CG1 ILE A1040 5.954 45.708 -3.757 1.00 92.74 C ATOM 718 CG2 ILE A1040 8.143 46.455 -2.681 1.00 93.79 C ATOM 719 CD1 ILE A1040 5.017 44.506 -3.858 1.00 97.10 C ATOM 720 H ILE A1040 9.794 44.340 -3.498 1.00 0.00 H ATOM 721 N GLU A1041 9.427 46.944 -5.702 1.00 95.66 N ATOM 722 CA GLU A1041 9.727 48.072 -6.584 1.00 99.60 C ATOM 723 C GLU A1041 9.828 47.637 -8.043 1.00103.87 C ATOM 724 O GLU A1041 9.430 48.398 -8.931 1.00107.08 O ATOM 725 CB GLU A1041 11.012 48.820 -6.163 1.00103.57 C ATOM 726 CG GLU A1041 12.030 48.013 -5.363 1.00111.54 C ATOM 727 CD GLU A1041 11.763 48.017 -3.868 1.00131.69 C ATOM 728 OE1 GLU A1041 11.693 49.119 -3.276 1.00138.32 O ATOM 729 OE2 GLU A1041 11.593 46.918 -3.290 1.00118.07 O ATOM 730 H GLU A1041 10.122 46.707 -4.965 1.00 0.00 H ATOM 731 N ASP A1042 10.339 46.406 -8.287 1.00 96.31 N ATOM 732 CA ASP A1042 10.504 45.830 -9.631 1.00 94.93 C ATOM 733 C ASP A1042 9.184 45.297 -10.216 1.00 96.95 C ATOM 734 O ASP A1042 9.120 44.982 -11.407 1.00 96.23 O ATOM 735 CB ASP A1042 11.587 44.737 -9.643 1.00 94.11 C ATOM 736 CG ASP A1042 12.955 45.177 -9.172 1.00108.30 C ATOM 737 OD1 ASP A1042 13.480 46.193 -9.713 1.00112.57 O ATOM 738 OD2 ASP A1042 13.534 44.479 -8.306 1.00112.88 O ATOM 739 H ASP A1042 10.634 45.831 -7.472 1.00 0.00 H ATOM 740 N TYR A1043 8.137 45.182 -9.386 1.00 92.69 N ATOM 741 CA TYR A1043 6.831 44.719 -9.851 1.00 92.25 C ATOM 742 C TYR A1043 6.105 45.853 -10.579 1.00100.84 C ATOM 743 O TYR A1043 6.179 47.000 -10.123 1.00103.35 O ATOM 744 CB TYR A1043 5.986 44.200 -8.677 1.00 91.16 C ATOM 745 CG TYR A1043 6.221 42.740 -8.363 1.00 88.33 C ATOM 746 CD1 TYR A1043 7.305 42.338 -7.584 1.00 88.50 C ATOM 747 CD2 TYR A1043 5.353 41.763 -8.827 1.00 87.81 C ATOM 748 CE1 TYR A1043 7.536 40.991 -7.305 1.00 87.19 C ATOM 749 CE2 TYR A1043 5.558 40.415 -8.536 1.00 86.23 C ATOM 750 CZ TYR A1043 6.659 40.029 -7.784 1.00 91.94 C ATOM 751 OH TYR A1043 6.847 38.696 -7.489 1.00 86.11 O ATOM 752 HH TYR A1043 6.934 38.182 -8.331 1.00 0.00 H ATOM 753 H TYR A1043 8.258 45.429 -8.383 1.00 0.00 H ATOM 754 N PRO A1044 5.417 45.576 -11.716 1.00 98.63 N ATOM 755 CA PRO A1044 4.708 46.661 -12.409 1.00102.55 C ATOM 756 C PRO A1044 3.508 47.145 -11.610 1.00107.84 C ATOM 757 O PRO A1044 2.909 46.354 -10.870 1.00104.56 O ATOM 758 CB PRO A1044 4.287 46.022 -13.735 1.00104.99 C ATOM 759 CG PRO A1044 4.207 44.565 -13.461 1.00105.42 C ATOM 760 CD PRO A1044 5.234 44.277 -12.406 1.00 98.14 C HETATM 761 N MSE A1045 3.166 48.427 -11.782 1.00108.67 N HETATM 762 CA MSE A1045 2.055 49.140 -11.148 1.00110.88 C HETATM 763 C MSE A1045 0.716 48.409 -11.349 1.00114.04 C HETATM 764 O MSE A1045 -0.128 48.385 -10.449 1.00113.68 O HETATM 765 CB MSE A1045 1.961 50.534 -11.780 1.00118.47 C HETATM 766 CG MSE A1045 1.618 51.638 -10.801 1.00128.35 C HETATM 767 SE MSE A1045 0.800 53.150 -11.706 1.00143.93 S HETATM 768 CE MSE A1045 2.158 53.496 -13.105 1.00141.80 C HETATM 769 H MSE A1045 3.754 48.978 -12.439 1.00 0.00 H ATOM 770 N SER A1046 0.551 47.807 -12.539 1.00109.81 N ATOM 771 CA SER A1046 -0.630 47.086 -13.017 1.00109.00 C ATOM 772 C SER A1046 -0.848 45.690 -12.386 1.00105.39 C ATOM 773 O SER A1046 -1.942 45.133 -12.518 1.00105.25 O ATOM 774 CB SER A1046 -0.541 46.950 -14.533 1.00115.20 C ATOM 775 OG SER A1046 0.645 46.274 -14.920 1.00121.43 O ATOM 776 HG SER A1046 0.675 46.201 -15.907 1.00 0.00 H ATOM 777 H SER A1046 1.355 47.859 -13.196 1.00 0.00 H ATOM 778 N SER A1047 0.183 45.113 -11.739 1.00 96.13 N ATOM 779 CA SER A1047 0.079 43.784 -11.137 1.00 91.63 C ATOM 780 C SER A1047 -0.752 43.799 -9.871 1.00 96.23 C ATOM 781 O SER A1047 -0.634 44.728 -9.073 1.00 97.38 O ATOM 782 CB SER A1047 1.456 43.184 -10.868 1.00 89.84 C ATOM 783 OG SER A1047 2.197 43.896 -9.891 1.00 89.56 O ATOM 784 HG SER A1047 2.332 44.828 -10.195 1.00 0.00 H ATOM 785 H SER A1047 1.083 45.630 -11.665 1.00 0.00 H ATOM 786 N GLU A1048 -1.592 42.761 -9.692 1.00 91.59 N ATOM 787 CA GLU A1048 -2.504 42.555 -8.558 1.00 90.74 C ATOM 788 C GLU A1048 -1.826 42.801 -7.220 1.00 90.85 C ATOM 789 O GLU A1048 -2.383 43.516 -6.374 1.00 93.98 O ATOM 790 CB GLU A1048 -3.075 41.126 -8.564 1.00 90.64 C ATOM 791 CG GLU A1048 -4.096 40.834 -9.656 1.00108.84 C ATOM 792 CD GLU A1048 -4.601 39.404 -9.717 1.00130.91 C ATOM 793 OE1 GLU A1048 -3.781 38.461 -9.580 1.00118.43 O ATOM 794 OE2 GLU A1048 -5.812 39.233 -9.991 1.00124.00 O ATOM 795 H GLU A1048 -1.595 42.031 -10.432 1.00 0.00 H ATOM 796 N ILE A1049 -0.632 42.191 -7.024 1.00 80.35 N ATOM 797 CA ILE A1049 0.145 42.289 -5.787 1.00 76.95 C ATOM 798 C ILE A1049 0.601 43.728 -5.510 1.00 83.35 C ATOM 799 O ILE A1049 0.411 44.198 -4.379 1.00 83.40 O ATOM 800 CB ILE A1049 1.312 41.249 -5.687 1.00 76.05 C ATOM 801 CG1 ILE A1049 1.901 41.173 -4.287 1.00 74.29 C ATOM 802 CG2 ILE A1049 2.408 41.433 -6.728 1.00 77.08 C ATOM 803 CD1 ILE A1049 0.987 40.579 -3.236 1.00 82.13 C ATOM 804 H ILE A1049 -0.244 41.618 -7.800 1.00 0.00 H ATOM 805 N LYS A1050 1.149 44.442 -6.532 1.00 82.54 N ATOM 806 CA LYS A1050 1.599 45.826 -6.353 1.00 85.68 C ATOM 807 C LYS A1050 0.407 46.708 -5.981 1.00 95.72 C ATOM 808 O LYS A1050 0.524 47.513 -5.058 1.00 96.98 O ATOM 809 CB LYS A1050 2.376 46.354 -7.577 1.00 89.51 C ATOM 810 CG LYS A1050 3.010 47.746 -7.418 1.00108.14 C ATOM 811 CD LYS A1050 4.151 47.786 -6.398 1.00116.66 C ATOM 812 CE LYS A1050 5.039 48.993 -6.591 1.00129.70 C ATOM 813 NZ LYS A1050 6.035 48.783 -7.689 1.00137.32 N ATOM 814 HZ1 LYS A1050 6.638 47.968 -7.457 1.00 0.00 H ATOM 815 HZ2 LYS A1050 5.532 48.601 -8.581 1.00 0.00 H ATOM 816 HZ3 LYS A1050 6.624 49.634 -7.789 1.00 0.00 H ATOM 817 H LYS A1050 1.251 43.993 -7.465 1.00 0.00 H ATOM 818 N ILE A1051 -0.757 46.479 -6.636 1.00 95.00 N ATOM 819 CA ILE A1051 -2.032 47.159 -6.385 1.00 98.52 C ATOM 820 C ILE A1051 -2.433 46.996 -4.921 1.00102.38 C ATOM 821 O ILE A1051 -2.774 47.988 -4.271 1.00105.09 O ATOM 822 CB ILE A1051 -3.115 46.628 -7.361 1.00102.74 C ATOM 823 CG1 ILE A1051 -2.888 47.201 -8.786 1.00104.79 C ATOM 824 CG2 ILE A1051 -4.545 46.912 -6.838 1.00107.55 C ATOM 825 CD1 ILE A1051 -3.483 46.402 -9.915 1.00106.04 C ATOM 826 H ILE A1051 -0.745 45.756 -7.384 1.00 0.00 H ATOM 827 N TYR A1052 -2.350 45.752 -4.404 1.00 96.20 N ATOM 828 CA TYR A1052 -2.666 45.404 -3.018 1.00 95.44 C ATOM 829 C TYR A1052 -1.692 46.053 -2.030 1.00100.90 C ATOM 830 O TYR A1052 -2.115 46.546 -0.980 1.00102.17 O ATOM 831 CB TYR A1052 -2.713 43.875 -2.832 1.00 92.49 C ATOM 832 CG TYR A1052 -3.079 43.425 -1.430 1.00 92.64 C ATOM 833 CD1 TYR A1052 -4.330 43.711 -0.886 1.00 96.74 C ATOM 834 CD2 TYR A1052 -2.187 42.694 -0.657 1.00 90.37 C ATOM 835 CE1 TYR A1052 -4.664 43.317 0.411 1.00 95.48 C ATOM 836 CE2 TYR A1052 -2.521 42.273 0.632 1.00 90.37 C ATOM 837 CZ TYR A1052 -3.762 42.588 1.163 1.00 96.98 C ATOM 838 OH TYR A1052 -4.103 42.174 2.431 1.00 95.18 O ATOM 839 HH TYR A1052 -4.072 41.185 2.474 1.00 0.00 H ATOM 840 H TYR A1052 -2.039 44.986 -5.035 1.00 0.00 H ATOM 841 N TYR A1053 -0.390 46.050 -2.370 1.00 96.38 N ATOM 842 CA TYR A1053 0.677 46.652 -1.562 1.00 95.62 C ATOM 843 C TYR A1053 0.417 48.150 -1.399 1.00101.89 C ATOM 844 O TYR A1053 0.503 48.674 -0.292 1.00102.44 O ATOM 845 CB TYR A1053 2.037 46.389 -2.240 1.00 94.68 C ATOM 846 CG TYR A1053 3.226 47.054 -1.589 1.00 95.84 C ATOM 847 CD1 TYR A1053 3.840 46.491 -0.478 1.00 95.07 C ATOM 848 CD2 TYR A1053 3.791 48.206 -2.134 1.00 99.24 C ATOM 849 CE1 TYR A1053 4.966 47.072 0.096 1.00 96.15 C ATOM 850 CE2 TYR A1053 4.904 48.808 -1.555 1.00100.79 C ATOM 851 CZ TYR A1053 5.493 48.232 -0.446 1.00105.66 C ATOM 852 OH TYR A1053 6.595 48.817 0.118 1.00111.49 O ATOM 853 HH TYR A1053 6.889 48.282 0.897 1.00 0.00 H ATOM 854 H TYR A1053 -0.122 45.591 -3.264 1.00 0.00 H ATOM 855 N ASN A1054 0.053 48.806 -2.504 1.00100.57 N ATOM 856 CA ASN A1054 -0.257 50.221 -2.561 1.00105.64 C ATOM 857 C ASN A1054 -1.486 50.583 -1.744 1.00113.74 C ATOM 858 O ASN A1054 -1.492 51.669 -1.157 1.00118.35 O ATOM 859 CB ASN A1054 -0.398 50.690 -4.013 1.00106.35 C ATOM 860 CG ASN A1054 0.884 50.619 -4.811 1.00119.31 C ATOM 861 OD1 ASN A1054 1.993 50.765 -4.274 1.00107.77 O ATOM 862 ND2 ASN A1054 0.761 50.406 -6.122 1.00109.98 N ATOM 863 HD22 ASN A1054 -0.182 50.287 -6.543 1.00 0.00 H ATOM 864 HD21 ASN A1054 1.609 50.359 -6.723 1.00 0.00 H ATOM 865 H ASN A1054 -0.013 48.262 -3.388 1.00 0.00 H ATOM 866 N GLU A1055 -2.521 49.705 -1.677 1.00108.63 N ATOM 867 CA GLU A1055 -3.709 50.048 -0.875 1.00111.68 C ATOM 868 C GLU A1055 -3.443 49.851 0.618 1.00115.91 C ATOM 869 O GLU A1055 -3.991 50.585 1.441 1.00117.52 O ATOM 870 CB GLU A1055 -5.013 49.374 -1.350 1.00113.38 C ATOM 871 CG GLU A1055 -5.057 47.860 -1.326 1.00116.73 C ATOM 872 CD GLU A1055 -5.913 47.221 -2.402 1.00136.50 C ATOM 873 OE1 GLU A1055 -6.347 47.927 -3.341 1.00133.41 O ATOM 874 OE2 GLU A1055 -6.124 45.992 -2.318 1.00127.80 O ATOM 875 H GLU A1055 -2.475 48.800 -2.187 1.00 0.00 H ATOM 876 N LEU A1056 -2.523 48.935 0.951 1.00111.50 N ATOM 877 CA LEU A1056 -2.115 48.701 2.329 1.00111.24 C ATOM 878 C LEU A1056 -1.258 49.854 2.881 1.00120.43 C ATOM 879 O LEU A1056 -1.063 49.939 4.090 1.00119.93 O ATOM 880 CB LEU A1056 -1.434 47.336 2.491 1.00106.49 C ATOM 881 CG LEU A1056 -2.326 46.103 2.374 1.00109.62 C ATOM 882 CD1 LEU A1056 -1.585 44.896 2.853 1.00106.38 C ATOM 883 CD2 LEU A1056 -3.607 46.239 3.202 1.00114.33 C ATOM 884 H LEU A1056 -2.084 48.370 0.196 1.00 0.00 H ATOM 885 N GLN A1057 -0.882 50.828 2.022 1.00122.25 N ATOM 886 CA GLN A1057 -0.130 52.010 2.456 1.00126.64 C ATOM 887 C GLN A1057 -1.013 52.952 3.282 1.00137.66 C ATOM 888 O GLN A1057 -0.483 53.758 4.050 1.00140.51 O ATOM 889 CB GLN A1057 0.566 52.733 1.284 1.00130.43 C ATOM 890 CG GLN A1057 1.542 51.856 0.467 1.00147.09 C ATOM 891 CD GLN A1057 2.721 51.305 1.251 1.00163.14 C ATOM 892 OE1 GLN A1057 2.673 50.198 1.815 1.00151.88 O ATOM 893 NE2 GLN A1057 3.821 52.045 1.261 1.00158.93 N ATOM 894 HE22 GLN A1057 3.832 52.967 0.780 1.00 0.00 H ATOM 895 HE21 GLN A1057 4.673 51.703 1.749 1.00 0.00 H ATOM 896 H GLN A1057 -1.135 50.736 1.017 1.00 0.00 H ATOM 897 N ASN A1058 -2.358 52.805 3.178 1.00136.23 N ATOM 898 CA ASN A1058 -3.307 53.569 3.989 1.00140.36 C ATOM 899 C ASN A1058 -3.901 52.711 5.139 1.00141.23 C ATOM 900 O ASN A1058 -4.950 52.076 4.977 1.00140.40 O ATOM 901 CB ASN A1058 -4.383 54.220 3.125 1.00145.92 C ATOM 902 CG ASN A1058 -5.039 55.388 3.825 1.00174.81 C ATOM 903 OD1 ASN A1058 -4.598 56.537 3.719 1.00171.66 O ATOM 904 ND2 ASN A1058 -6.071 55.114 4.608 1.00168.72 N ATOM 905 HD22 ASN A1058 -6.424 54.138 4.681 1.00 0.00 H ATOM 906 HD21 ASN A1058 -6.528 55.874 5.150 1.00 0.00 H ATOM 907 H ASN A1058 -2.731 52.119 2.491 1.00 0.00 H ATOM 908 N LYS A1059 -3.212 52.705 6.297 1.00136.01 N ATOM 909 CA LYS A1059 -3.586 51.926 7.486 1.00157.26 C ATOM 910 C LYS A1059 -4.847 52.449 8.183 1.00170.49 C ATOM 911 O LYS A1059 -5.419 51.760 9.034 1.00121.36 O ATOM 912 CB LYS A1059 -2.408 51.835 8.476 1.00158.06 C ATOM 913 CG LYS A1059 -1.231 51.012 7.960 1.00165.68 C ATOM 914 CD LYS A1059 -0.102 50.880 8.984 1.00171.99 C ATOM 915 CE LYS A1059 1.173 51.556 8.530 1.00176.80 C ATOM 916 NZ LYS A1059 2.377 50.982 9.192 1.00178.47 N ATOM 917 HZ1 LYS A1059 2.295 51.102 10.222 1.00 0.00 H ATOM 918 HZ2 LYS A1059 2.447 49.970 8.964 1.00 0.00 H ATOM 919 HZ3 LYS A1059 3.227 51.475 8.851 1.00 0.00 H ATOM 920 H LYS A1059 -2.356 53.293 6.353 1.00 0.00 H TER 921 LYS A1059 ATOM 922 N LYS A1064 -0.923 45.449 9.264 1.00103.93 N ATOM 923 CA LYS A1064 -0.951 45.002 7.876 1.00101.69 C ATOM 924 C LYS A1064 0.086 43.886 7.586 1.00100.11 C ATOM 925 O LYS A1064 1.011 43.665 8.380 1.00 99.46 O ATOM 926 CB LYS A1064 -0.817 46.200 6.906 1.00107.22 C ATOM 927 CG LYS A1064 0.594 46.797 6.814 1.00122.28 C ATOM 928 CD LYS A1064 0.625 48.238 6.339 1.00133.53 C ATOM 929 CE LYS A1064 2.049 48.730 6.213 1.00143.04 C ATOM 930 NZ LYS A1064 2.139 50.051 5.541 1.00157.58 N ATOM 931 HZ1 LYS A1064 1.739 49.979 4.584 1.00 0.00 H ATOM 932 HZ2 LYS A1064 1.605 50.755 6.089 1.00 0.00 H ATOM 933 HZ3 LYS A1064 3.136 50.341 5.481 1.00 0.00 H ATOM 934 HN3 LYS A1064 0.021 45.824 9.487 1.00 0.00 H ATOM 935 HN2 LYS A1064 -1.135 44.646 9.890 1.00 0.00 H ATOM 936 HN1 LYS A1064 -1.635 46.194 9.401 1.00 0.00 H ATOM 937 N ALA A1065 -0.073 43.204 6.440 1.00 92.44 N ATOM 938 CA ALA A1065 0.784 42.099 6.022 1.00 88.24 C ATOM 939 C ALA A1065 2.231 42.503 5.735 1.00 90.63 C ATOM 940 O ALA A1065 2.495 43.653 5.368 1.00 92.25 O ATOM 941 CB ALA A1065 0.169 41.397 4.820 1.00 87.94 C ATOM 942 H ALA A1065 -0.855 43.480 5.812 1.00 0.00 H ATOM 943 N ARG A1066 3.159 41.536 5.890 1.00 83.95 N ATOM 944 CA ARG A1066 4.594 41.723 5.657 1.00 82.86 C ATOM 945 C ARG A1066 4.978 41.254 4.250 1.00 83.31 C ATOM 946 O ARG A1066 4.899 40.061 3.972 1.00 80.28 O ATOM 947 CB ARG A1066 5.417 40.980 6.727 1.00 81.83 C ATOM 948 CG ARG A1066 5.105 41.415 8.164 1.00 90.99 C ATOM 949 CD ARG A1066 5.471 40.359 9.192 1.00 91.89 C ATOM 950 NE ARG A1066 6.889 40.425 9.568 1.00101.19 N ATOM 951 CZ ARG A1066 7.345 40.684 10.794 1.00117.26 C ATOM 952 NH1 ARG A1066 6.499 40.887 11.798 1.00 96.01 N ATOM 953 NH2 ARG A1066 8.647 40.733 11.026 1.00112.23 N ATOM 954 HE ARG A1066 7.592 40.257 8.820 1.00 0.00 H ATOM 955 HH12 ARG A1066 6.862 41.088 12.751 1.00 0.00 H ATOM 956 HH11 ARG A1066 5.473 40.844 11.631 1.00 0.00 H ATOM 957 HH22 ARG A1066 8.997 40.935 11.984 1.00 0.00 H ATOM 958 HH21 ARG A1066 9.320 40.569 10.250 1.00 0.00 H ATOM 959 H ARG A1066 2.835 40.596 6.195 1.00 0.00 H ATOM 960 N PHE A1067 5.369 42.195 3.363 1.00 80.69 N ATOM 961 CA PHE A1067 5.765 41.906 1.978 1.00 79.14 C ATOM 962 C PHE A1067 7.264 41.676 1.906 1.00 83.73 C ATOM 963 O PHE A1067 8.056 42.622 1.951 1.00 85.33 O ATOM 964 CB PHE A1067 5.355 43.036 1.030 1.00 82.92 C ATOM 965 CG PHE A1067 3.876 43.203 0.782 1.00 85.72 C ATOM 966 CD1 PHE A1067 3.044 43.723 1.767 1.00 90.59 C ATOM 967 CD2 PHE A1067 3.326 42.921 -0.468 1.00 88.35 C ATOM 968 CE1 PHE A1067 1.684 43.910 1.529 1.00 93.08 C ATOM 969 CE2 PHE A1067 1.962 43.119 -0.708 1.00 92.59 C ATOM 970 CZ PHE A1067 1.155 43.621 0.290 1.00 92.43 C ATOM 971 H PHE A1067 5.391 43.185 3.680 1.00 0.00 H ATOM 972 N TRP A1068 7.651 40.409 1.823 1.00 79.75 N ATOM 973 CA TRP A1068 9.049 40.025 1.769 1.00 80.68 C ATOM 974 C TRP A1068 9.539 39.727 0.362 1.00 87.32 C ATOM 975 O TRP A1068 8.912 38.944 -0.365 1.00 85.23 O ATOM 976 CB TRP A1068 9.298 38.794 2.643 1.00 78.02 C ATOM 977 CG TRP A1068 9.166 38.991 4.120 1.00 80.14 C ATOM 978 CD1 TRP A1068 8.970 40.162 4.793 1.00 85.12 C ATOM 979 CD2 TRP A1068 9.282 37.975 5.111 1.00 79.19 C ATOM 980 NE1 TRP A1068 8.901 39.924 6.143 1.00 84.54 N ATOM 981 CE2 TRP A1068 9.110 38.591 6.369 1.00 84.34 C ATOM 982 CE3 TRP A1068 9.520 36.596 5.060 1.00 79.15 C ATOM 983 CZ2 TRP A1068 9.162 37.875 7.565 1.00 83.80 C ATOM 984 CZ3 TRP A1068 9.570 35.886 6.246 1.00 80.86 C ATOM 985 CH2 TRP A1068 9.415 36.526 7.482 1.00 82.85 C ATOM 986 HE1 TRP A1068 8.719 40.640 6.875 1.00 0.00 H ATOM 987 H TRP A1068 6.926 39.664 1.796 1.00 0.00 H ATOM 988 N SER A1069 10.703 40.299 0.003 1.00 87.98 N ATOM 989 CA SER A1069 11.331 40.020 -1.279 1.00 89.07 C ATOM 990 C SER A1069 11.909 38.620 -1.243 1.00 90.96 C ATOM 991 O SER A1069 12.224 38.070 -0.183 1.00 89.60 O ATOM 992 CB SER A1069 12.424 41.038 -1.607 1.00 97.06 C ATOM 993 OG SER A1069 13.537 40.977 -0.727 1.00108.56 O ATOM 994 HG SER A1069 14.204 41.658 -0.993 1.00 0.00 H ATOM 995 H SER A1069 11.166 40.959 0.660 1.00 0.00 H ATOM 996 N PHE A1070 12.050 38.070 -2.431 1.00 87.65 N ATOM 997 CA PHE A1070 12.573 36.751 -2.711 1.00 86.60 C ATOM 998 C PHE A1070 13.911 36.512 -2.006 1.00 91.42 C ATOM 999 O PHE A1070 14.133 35.444 -1.425 1.00 90.17 O ATOM 1000 CB PHE A1070 12.695 36.606 -4.239 1.00 88.70 C ATOM 1001 CG PHE A1070 13.294 35.322 -4.711 1.00 89.24 C ATOM 1002 CD1 PHE A1070 14.466 35.319 -5.449 1.00 93.07 C ATOM 1003 CD2 PHE A1070 12.709 34.103 -4.384 1.00 90.32 C ATOM 1004 CE1 PHE A1070 15.029 34.120 -5.883 1.00 94.14 C ATOM 1005 CE2 PHE A1070 13.284 32.901 -4.801 1.00 93.18 C ATOM 1006 CZ PHE A1070 14.434 32.922 -5.558 1.00 92.27 C ATOM 1007 H PHE A1070 11.756 38.641 -3.249 1.00 0.00 H HETATM 1008 N MSE A1071 14.763 37.537 -2.013 1.00 89.34 N HETATM 1009 CA MSE A1071 16.076 37.512 -1.405 1.00 90.87 C HETATM 1010 C MSE A1071 15.975 37.570 0.118 1.00 93.56 C HETATM 1011 O MSE A1071 16.737 36.877 0.799 1.00 94.92 O HETATM 1012 CB MSE A1071 16.885 38.704 -1.908 1.00 96.61 C HETATM 1013 CG MSE A1071 17.272 38.618 -3.363 1.00105.45 C HETATM 1014 SE MSE A1071 19.069 39.389 -3.602 1.00118.39 S HETATM 1015 CE MSE A1071 20.181 38.074 -2.604 1.00115.10 C HETATM 1016 H MSE A1071 14.464 38.413 -2.487 1.00 0.00 H ATOM 1017 N LYS A1072 15.061 38.425 0.648 1.00 86.63 N ATOM 1018 CA LYS A1072 14.828 38.618 2.079 1.00 84.74 C ATOM 1019 C LYS A1072 14.302 37.329 2.675 1.00 84.29 C ATOM 1020 O LYS A1072 14.778 36.930 3.742 1.00 84.73 O ATOM 1021 CB LYS A1072 13.850 39.779 2.320 1.00 86.76 C ATOM 1022 CG LYS A1072 13.531 40.073 3.776 1.00 93.65 C ATOM 1023 CD LYS A1072 12.600 41.279 3.927 1.00105.21 C ATOM 1024 CE LYS A1072 12.327 41.655 5.359 1.00125.38 C ATOM 1025 NZ LYS A1072 13.504 42.299 6.017 1.00140.51 N ATOM 1026 HZ1 LYS A1072 14.309 41.640 6.006 1.00 0.00 H ATOM 1027 HZ2 LYS A1072 13.757 43.166 5.501 1.00 0.00 H ATOM 1028 HZ3 LYS A1072 13.262 42.538 7.000 1.00 0.00 H ATOM 1029 H LYS A1072 14.484 38.984 -0.013 1.00 0.00 H ATOM 1030 N THR A1073 13.351 36.658 1.978 1.00 76.78 N ATOM 1031 CA THR A1073 12.779 35.389 2.437 1.00 74.82 C ATOM 1032 C THR A1073 13.871 34.326 2.561 1.00 81.13 C ATOM 1033 O THR A1073 13.919 33.609 3.572 1.00 82.05 O ATOM 1034 CB THR A1073 11.663 34.930 1.527 1.00 77.78 C ATOM 1035 OG1 THR A1073 10.781 36.024 1.299 1.00 82.46 O ATOM 1036 CG2 THR A1073 10.912 33.719 2.091 1.00 70.53 C ATOM 1037 HG1 THR A1073 11.280 36.765 0.873 1.00 0.00 H ATOM 1038 H THR A1073 13.014 37.061 1.080 1.00 0.00 H ATOM 1039 N GLN A1074 14.771 34.267 1.546 1.00 77.98 N ATOM 1040 CA GLN A1074 15.914 33.355 1.502 1.00 78.73 C ATOM 1041 C GLN A1074 16.817 33.580 2.714 1.00 85.62 C ATOM 1042 O GLN A1074 17.216 32.611 3.368 1.00 86.10 O ATOM 1043 CB GLN A1074 16.712 33.562 0.210 1.00 81.01 C ATOM 1044 CG GLN A1074 16.188 32.767 -0.974 1.00 83.55 C ATOM 1045 CD GLN A1074 17.088 32.917 -2.160 1.00 91.67 C ATOM 1046 OE1 GLN A1074 18.114 32.240 -2.304 1.00 86.95 O ATOM 1047 NE2 GLN A1074 16.702 33.806 -3.041 1.00 80.75 N ATOM 1048 HE22 GLN A1074 15.833 34.354 -2.881 1.00 0.00 H ATOM 1049 HE21 GLN A1074 17.265 33.964 -3.901 1.00 0.00 H ATOM 1050 H GLN A1074 14.639 34.915 0.744 1.00 0.00 H ATOM 1051 N ARG A1075 17.099 34.867 3.028 1.00 83.61 N ATOM 1052 CA ARG A1075 17.908 35.291 4.164 1.00 85.68 C ATOM 1053 C ARG A1075 17.260 34.799 5.444 1.00 88.14 C ATOM 1054 O ARG A1075 17.927 34.103 6.211 1.00 90.30 O ATOM 1055 CB ARG A1075 18.037 36.817 4.181 1.00 88.88 C ATOM 1056 CG ARG A1075 19.388 37.334 4.660 1.00103.91 C ATOM 1057 CD ARG A1075 19.714 38.710 4.093 1.00116.93 C ATOM 1058 NE ARG A1075 18.772 39.745 4.529 1.00126.70 N ATOM 1059 CZ ARG A1075 17.968 40.427 3.718 1.00144.60 C ATOM 1060 NH1 ARG A1075 17.980 40.196 2.407 1.00132.63 N ATOM 1061 NH2 ARG A1075 17.155 41.354 4.206 1.00133.25 N ATOM 1062 HE ARG A1075 18.729 39.962 5.545 1.00 0.00 H ATOM 1063 HH12 ARG A1075 17.349 40.733 1.779 1.00 0.00 H ATOM 1064 HH11 ARG A1075 18.621 39.479 2.011 1.00 0.00 H ATOM 1065 HH22 ARG A1075 16.528 41.884 3.568 1.00 0.00 H ATOM 1066 HH21 ARG A1075 17.144 41.551 5.227 1.00 0.00 H ATOM 1067 H ARG A1075 16.709 35.609 2.412 1.00 0.00 H ATOM 1068 N PHE A1076 15.941 35.089 5.636 1.00 80.63 N ATOM 1069 CA PHE A1076 15.157 34.692 6.816 1.00 78.25 C ATOM 1070 C PHE A1076 15.240 33.205 7.111 1.00 79.37 C ATOM 1071 O PHE A1076 15.712 32.839 8.192 1.00 79.65 O ATOM 1072 CB PHE A1076 13.695 35.157 6.708 1.00 77.45 C ATOM 1073 CG PHE A1076 12.787 34.679 7.824 1.00 76.94 C ATOM 1074 CD1 PHE A1076 11.902 33.630 7.619 1.00 76.82 C ATOM 1075 CD2 PHE A1076 12.839 35.263 9.091 1.00 78.76 C ATOM 1076 CE1 PHE A1076 11.052 33.205 8.643 1.00 76.68 C ATOM 1077 CE2 PHE A1076 12.004 34.822 10.117 1.00 80.07 C ATOM 1078 CZ PHE A1076 11.104 33.813 9.880 1.00 76.26 C ATOM 1079 H PHE A1076 15.454 35.631 4.894 1.00 0.00 H ATOM 1080 N VAL A1077 14.806 32.349 6.144 1.00 72.90 N ATOM 1081 CA VAL A1077 14.861 30.886 6.298 1.00 72.07 C ATOM 1082 C VAL A1077 16.276 30.413 6.704 1.00 81.03 C ATOM 1083 O VAL A1077 16.398 29.545 7.576 1.00 81.45 O ATOM 1084 CB VAL A1077 14.297 30.065 5.110 1.00 72.44 C ATOM 1085 CG1 VAL A1077 12.815 30.306 4.930 1.00 70.17 C ATOM 1086 CG2 VAL A1077 15.039 30.348 3.824 1.00 72.41 C ATOM 1087 H VAL A1077 14.421 32.745 5.263 1.00 0.00 H ATOM 1088 N SER A1078 17.331 31.022 6.098 1.00 79.96 N ATOM 1089 CA SER A1078 18.728 30.710 6.381 1.00 82.87 C ATOM 1090 C SER A1078 19.075 31.024 7.838 1.00 89.93 C ATOM 1091 O SER A1078 19.801 30.246 8.471 1.00 92.54 O ATOM 1092 CB SER A1078 19.643 31.472 5.441 1.00 88.37 C ATOM 1093 OG SER A1078 20.838 30.737 5.257 1.00103.10 O ATOM 1094 HG SER A1078 20.623 29.852 4.868 1.00 0.00 H ATOM 1095 H SER A1078 17.129 31.756 5.389 1.00 0.00 H ATOM 1096 N ASN A1079 18.511 32.125 8.394 1.00 85.54 N ATOM 1097 CA ASN A1079 18.715 32.481 9.805 1.00 87.34 C ATOM 1098 C ASN A1079 17.892 31.553 10.689 1.00 88.46 C ATOM 1099 O ASN A1079 18.216 31.354 11.861 1.00 91.39 O ATOM 1100 CB ASN A1079 18.316 33.930 10.087 1.00 90.79 C ATOM 1101 CG ASN A1079 18.984 35.001 9.249 1.00110.19 C ATOM 1102 OD1 ASN A1079 20.213 35.051 9.045 1.00102.20 O ATOM 1103 ND2 ASN A1079 18.162 35.923 8.759 1.00 99.33 N ATOM 1104 HD22 ASN A1079 17.140 35.859 8.943 1.00 0.00 H ATOM 1105 HD21 ASN A1079 18.540 36.708 8.192 1.00 0.00 H ATOM 1106 H ASN A1079 17.914 32.738 7.802 1.00 0.00 H HETATM 1107 N MSE A1080 16.820 31.007 10.133 1.00 79.60 N HETATM 1108 CA MSE A1080 15.977 30.079 10.854 1.00 77.60 C HETATM 1109 C MSE A1080 16.609 28.676 10.947 1.00 86.87 C HETATM 1110 O MSE A1080 16.172 27.871 11.783 1.00 87.77 O HETATM 1111 CB MSE A1080 14.587 30.065 10.237 1.00 75.70 C HETATM 1112 CG MSE A1080 13.841 31.363 10.492 1.00 80.66 C HETATM 1113 SE MSE A1080 13.612 31.731 12.386 1.00 88.73 S HETATM 1114 CE MSE A1080 12.342 30.355 12.796 1.00 83.36 C HETATM 1115 H MSE A1080 16.578 31.253 9.152 1.00 0.00 H ATOM 1116 N GLY A1081 17.682 28.449 10.166 1.00 85.71 N ATOM 1117 CA GLY A1081 18.429 27.198 10.082 1.00 87.88 C ATOM 1118 C GLY A1081 18.069 26.376 8.862 1.00 92.96 C ATOM 1119 O GLY A1081 18.312 25.166 8.836 1.00 93.84 O ATOM 1120 H GLY A1081 18.008 29.236 9.569 1.00 0.00 H ATOM 1121 N PHE A1082 17.480 27.018 7.839 1.00 89.36 N ATOM 1122 CA PHE A1082 17.073 26.339 6.612 1.00 89.02 C ATOM 1123 C PHE A1082 17.702 27.029 5.403 1.00 98.13 C ATOM 1124 O PHE A1082 17.135 27.978 4.849 1.00 97.74 O ATOM 1125 CB PHE A1082 15.537 26.206 6.522 1.00 87.49 C ATOM 1126 CG PHE A1082 14.921 25.617 7.767 1.00 89.00 C ATOM 1127 CD1 PHE A1082 14.893 24.240 7.964 1.00 93.17 C ATOM 1128 CD2 PHE A1082 14.424 26.441 8.775 1.00 90.92 C ATOM 1129 CE1 PHE A1082 14.376 23.695 9.148 1.00 94.98 C ATOM 1130 CE2 PHE A1082 13.872 25.896 9.940 1.00 94.48 C ATOM 1131 CZ PHE A1082 13.858 24.527 10.120 1.00 93.86 C ATOM 1132 H PHE A1082 17.307 28.040 7.925 1.00 0.00 H ATOM 1133 N ASP A1083 18.931 26.604 5.058 1.00 98.24 N ATOM 1134 CA ASP A1083 19.670 27.200 3.950 1.00 98.76 C ATOM 1135 C ASP A1083 19.349 26.537 2.615 1.00 99.12 C ATOM 1136 O ASP A1083 18.841 25.412 2.596 1.00 97.76 O ATOM 1137 CB ASP A1083 21.188 27.184 4.237 1.00104.75 C ATOM 1138 CG ASP A1083 21.992 28.335 3.629 1.00116.33 C ATOM 1139 OD1 ASP A1083 21.431 29.082 2.782 1.00114.84 O ATOM 1140 OD2 ASP A1083 23.176 28.500 4.011 1.00124.53 O ATOM 1141 H ASP A1083 19.367 25.828 5.597 1.00 0.00 H ATOM 1142 N ILE A1084 19.625 27.261 1.504 1.00 94.51 N ATOM 1143 CA ILE A1084 19.468 26.805 0.114 1.00 98.77 C ATOM 1144 C ILE A1084 20.833 26.915 -0.617 1.00131.53 C ATOM 1145 O ILE A1084 21.254 26.000 -1.334 1.00 86.54 O ATOM 1146 CB ILE A1084 18.332 27.537 -0.661 1.00 98.10 C ATOM 1147 CG1 ILE A1084 17.000 27.548 0.129 1.00 94.73 C ATOM 1148 CG2 ILE A1084 18.153 26.894 -2.050 1.00 99.06 C ATOM 1149 CD1 ILE A1084 15.966 28.493 -0.396 1.00 89.68 C ATOM 1150 H ILE A1084 19.980 28.228 1.647 1.00 0.00 H TER 1151 ILE A1084 HETATM 1152 O HOH 1 13.212 33.850 -22.827 1.00 61.46 O HETATM 1153 O HOH 2 19.288 40.552 -0.393 1.00 71.77 O HETATM 1154 N SER A 3 5.780 43.610 14.684 1.00 0.24 N HETATM 1155 CA SER A 3 6.516 44.153 15.826 1.00 0.09 C HETATM 1156 C SER A 3 7.828 43.376 16.108 1.00 0.23 C HETATM 1157 O SER A 3 8.642 43.813 16.940 1.00 -0.39 O HETATM 1158 N SER A 3 8.033 42.235 15.404 1.00 -0.26 N HETATM 1159 CA SER A 3 9.241 41.414 15.522 1.00 0.13 C HETATM 1160 C SER A 3 10.159 41.664 14.318 1.00 0.20 C HETATM 1161 O SER A 3 9.688 41.970 13.223 1.00 -0.39 O HETATM 1162 N SER A 3 11.470 41.608 14.549 1.00 -0.26 N HETATM 1163 CA SER A 3 12.479 41.873 13.529 1.00 0.14 C HETATM 1164 C SER A 3 12.615 40.682 12.594 1.00 0.21 C HETATM 1165 O SER A 3 12.580 39.542 13.050 1.00 -0.39 O HETATM 1166 N SER A 3 12.779 40.953 11.283 1.00 -0.26 N HETATM 1167 CA SER A 3 12.976 39.938 10.234 1.00 0.15 C HETATM 1168 C SER A 3 14.416 39.438 10.254 1.00 0.21 C HETATM 1169 O SER A 3 14.715 38.355 9.746 1.00 -0.39 O HETATM 1170 N SER A 3 15.310 40.271 10.800 1.00 -0.26 N HETATM 1171 CA SER A 3 16.738 40.012 10.915 1.00 0.16 C HETATM 1172 CB SER A 3 17.365 41.376 10.607 1.00 0.12 C HETATM 1173 OG SER A 3 18.199 41.321 9.460 1.00 -0.27 O HETATM 1174 P SER A 3 18.013 42.671 8.700 1.00 0.20 P HETATM 1175 O1P SER A 3 18.723 42.346 7.419 1.00 -0.55 O HETATM 1176 O2P SER A 3 16.558 43.147 8.329 1.00 -0.55 O HETATM 1177 O3P SER A 3 18.749 43.801 9.469 1.00 -0.55 O HETATM 1178 H30 SER A 3 17.967 41.696 11.471 1.00 0.07 H HETATM 1179 H31 SER A 3 16.562 42.106 10.429 1.00 0.07 H HETATM 1180 C SER A 3 17.114 39.567 12.345 1.00 0.21 C HETATM 1181 O SER A 3 16.485 40.006 13.314 1.00 -0.39 O HETATM 1182 N SER A 3 18.148 38.722 12.512 1.00 -0.25 N HETATM 1183 CA SER A 3 18.523 38.311 13.871 1.00 0.13 C HETATM 1184 C SER A 3 19.327 39.402 14.591 1.00 0.21 C HETATM 1185 O SER A 3 19.862 40.279 13.915 1.00 -0.39 O HETATM 1186 N SER A 3 19.453 39.398 15.937 1.00 -0.25 N HETATM 1187 CA SER A 3 20.263 40.437 16.587 1.00 0.13 C HETATM 1188 C SER A 3 21.749 40.382 16.179 1.00 0.20 C HETATM 1189 O SER A 3 22.481 39.453 16.541 1.00 -0.39 O HETATM 1190 N SER A 3 22.156 41.333 15.318 1.00 -0.26 N HETATM 1191 CA SER A 3 23.533 41.438 14.826 1.00 0.15 C HETATM 1192 C SER A 3 24.364 42.057 15.952 1.00 0.21 C HETATM 1193 O SER A 3 24.071 43.181 16.374 1.00 -0.39 O HETATM 1194 N SER A 3 25.323 41.290 16.520 1.00 -0.26 N HETATM 1195 CA SER A 3 26.144 41.760 17.657 1.00 0.16 C HETATM 1196 C SER A 3 27.674 41.550 17.428 1.00 0.21 C HETATM 1197 O SER A 3 28.326 40.769 18.136 1.00 -0.39 O HETATM 1198 N SER A 3 28.230 42.302 16.434 1.00 -0.27 N HETATM 1199 CA SER A 3 29.643 42.323 16.027 1.00 0.12 C HETATM 1200 C SER A 3 30.037 43.702 15.435 1.00 0.06 C HETATM 1201 O SER A 3 30.081 44.727 16.134 1.00 -0.57 O HETATM 1202 OXT SER A 3 30.326 43.842 14.236 1.00 -0.57 O HETATM 1203 CB SER A 3 29.922 41.213 15.014 1.00 0.08 C HETATM 1204 OG SER A 3 29.776 39.929 15.599 1.00 -0.39 O HETATM 1205 H63 SER A 3 28.888 39.828 15.921 1.00 0.21 H HETATM 1206 H61 SER A 3 30.951 41.321 14.639 1.00 0.06 H HETATM 1207 H62 SER A 3 29.215 41.307 14.177 1.00 0.06 H HETATM 1208 H60 SER A 3 30.261 42.142 16.919 1.00 0.07 H HETATM 1209 H59 SER A 3 27.611 42.903 15.929 1.00 0.19 H HETATM 1210 CB SER A 3 25.644 41.176 18.994 1.00 0.09 C HETATM 1211 OG1 SER A 3 25.409 39.771 18.852 1.00 -0.39 O HETATM 1212 H55 SER A 3 26.218 39.339 18.603 1.00 0.21 H HETATM 1213 CG2 SER A 3 24.398 41.888 19.514 1.00 -0.03 C HETATM 1214 H56 SER A 3 24.086 41.433 20.466 1.00 0.03 H HETATM 1215 H57 SER A 3 23.586 41.791 18.778 1.00 0.03 H HETATM 1216 H58 SER A 3 24.624 42.953 19.673 1.00 0.03 H HETATM 1217 H54 SER A 3 26.441 41.315 19.740 1.00 0.06 H HETATM 1218 H53 SER A 3 25.993 42.848 17.720 1.00 0.08 H HETATM 1219 H52 SER A 3 25.483 40.372 16.158 1.00 0.19 H HETATM 1220 CB SER A 3 23.597 42.278 13.525 1.00 0.08 C HETATM 1221 CG SER A 3 22.747 41.773 12.352 1.00 0.18 C HETATM 1222 OD1 SER A 3 22.563 40.566 12.124 1.00 -0.40 O HETATM 1223 ND2 SER A 3 22.244 42.694 11.536 1.00 -0.30 N HETATM 1224 H50 SER A 3 21.683 42.418 10.756 1.00 0.18 H HETATM 1225 H51 SER A 3 22.427 43.663 11.702 1.00 0.18 H HETATM 1226 H48 SER A 3 24.645 42.304 13.193 1.00 0.06 H HETATM 1227 H49 SER A 3 23.263 43.298 13.767 1.00 0.06 H HETATM 1228 H47 SER A 3 23.918 40.431 14.606 1.00 0.08 H HETATM 1229 H46 SER A 3 21.485 42.002 14.998 1.00 0.19 H HETATM 1230 CB SER A 3 20.018 40.200 18.083 1.00 -0.01 C HETATM 1231 CG SER A 3 18.838 39.286 18.166 1.00 -0.03 C HETATM 1232 CD SER A 3 18.886 38.465 16.927 1.00 0.04 C HETATM 1233 H44 SER A 3 19.534 37.586 17.059 1.00 0.05 H HETATM 1234 H45 SER A 3 17.879 38.137 16.630 1.00 0.05 H HETATM 1235 H42 SER A 3 17.904 39.866 18.207 1.00 0.03 H HETATM 1236 H43 SER A 3 18.910 38.644 19.056 1.00 0.03 H HETATM 1237 H40 SER A 3 19.801 41.151 18.590 1.00 0.03 H HETATM 1238 H41 SER A 3 20.899 39.730 18.545 1.00 0.03 H HETATM 1239 H39 SER A 3 19.880 41.430 16.309 1.00 0.08 H HETATM 1240 CB SER A 3 19.346 37.035 13.645 1.00 -0.01 C HETATM 1241 CG SER A 3 19.406 36.827 12.161 1.00 -0.03 C HETATM 1242 CD SER A 3 19.026 38.103 11.505 1.00 0.04 C HETATM 1243 H37 SER A 3 19.909 38.728 11.308 1.00 0.05 H HETATM 1244 H38 SER A 3 18.487 37.922 10.563 1.00 0.05 H HETATM 1245 H35 SER A 3 18.705 36.032 11.867 1.00 0.03 H HETATM 1246 H36 SER A 3 20.427 36.544 11.864 1.00 0.03 H HETATM 1247 H33 SER A 3 18.858 36.177 14.130 1.00 0.03 H HETATM 1248 H34 SER A 3 20.360 37.159 14.053 1.00 0.03 H HETATM 1249 H32 SER A 3 17.625 38.085 14.465 1.00 0.08 H HETATM 1250 H29 SER A 3 17.062 39.249 10.191 1.00 0.08 H HETATM 1251 H28 SER A 3 14.970 41.141 11.158 1.00 0.19 H HETATM 1252 CB SER A 3 12.690 40.536 8.860 1.00 0.08 C HETATM 1253 OG SER A 3 11.330 40.906 8.732 1.00 -0.39 O HETATM 1254 H27 SER A 3 11.183 41.274 7.869 1.00 0.21 H HETATM 1255 H25 SER A 3 12.933 39.791 8.088 1.00 0.06 H HETATM 1256 H26 SER A 3 13.318 41.428 8.720 1.00 0.06 H HETATM 1257 H24 SER A 3 12.293 39.095 10.415 1.00 0.08 H HETATM 1258 H23 SER A 3 12.766 41.913 11.003 1.00 0.19 H HETATM 1259 CB SER A 3 13.821 42.190 14.217 1.00 0.04 C HETATM 1260 CG SER A 3 14.964 42.676 13.352 1.00 0.04 C HETATM 1261 OD1 SER A 3 14.718 43.017 12.160 1.00 -0.57 O HETATM 1262 OD2 SER A 3 16.113 42.731 13.867 1.00 -0.57 O HETATM 1263 H21 SER A 3 14.158 41.270 14.718 1.00 0.05 H HETATM 1264 H22 SER A 3 13.627 42.968 14.970 1.00 0.05 H HETATM 1265 H20 SER A 3 12.168 42.748 12.939 1.00 0.08 H HETATM 1266 H19 SER A 3 11.779 41.372 15.470 1.00 0.19 H HETATM 1267 CB SER A 3 8.899 39.915 15.710 1.00 -0.01 C HETATM 1268 CG SER A 3 10.028 38.906 15.988 1.00 -0.04 C HETATM 1269 CD1 SER A 3 10.888 39.308 17.162 1.00 -0.06 C HETATM 1270 H13 SER A 3 11.675 38.555 17.315 1.00 0.02 H HETATM 1271 H14 SER A 3 10.265 39.376 18.066 1.00 0.02 H HETATM 1272 H15 SER A 3 11.350 40.285 16.960 1.00 0.02 H HETATM 1273 CD2 SER A 3 9.467 37.549 16.269 1.00 -0.06 C HETATM 1274 H16 SER A 3 8.835 37.232 15.427 1.00 0.02 H HETATM 1275 H17 SER A 3 8.863 37.585 17.188 1.00 0.02 H HETATM 1276 H18 SER A 3 10.290 36.832 16.400 1.00 0.02 H HETATM 1277 H12 SER A 3 10.663 38.851 15.092 1.00 0.03 H HETATM 1278 H10 SER A 3 8.395 39.585 14.790 1.00 0.03 H HETATM 1279 H11 SER A 3 8.198 39.851 16.555 1.00 0.03 H HETATM 1280 H9 SER A 3 9.780 41.739 16.424 1.00 0.08 H HETATM 1281 H8 SER A 3 7.320 41.937 14.769 1.00 0.19 H HETATM 1282 CB SER A 3 5.626 44.215 17.068 1.00 0.10 C HETATM 1283 OG SER A 3 6.160 45.084 18.055 1.00 -0.39 O HETATM 1284 H7 SER A 3 7.019 44.774 18.317 1.00 0.21 H HETATM 1285 H5 SER A 3 5.537 43.205 17.494 1.00 0.06 H HETATM 1286 H6 SER A 3 4.630 44.578 16.775 1.00 0.06 H HETATM 1287 H4 SER A 3 6.799 45.185 15.571 1.00 0.11 H HETATM 1288 H1 SER A 3 4.938 44.146 14.541 1.00 0.20 H HETATM 1289 H2 SER A 3 5.539 42.648 14.866 1.00 0.20 H HETATM 1290 H3 SER A 3 6.356 43.661 13.858 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 407 396 408 415 CONECT 408 407 409 411 CONECT 409 408 410 416 CONECT 410 409 CONECT 411 408 412 CONECT 412 411 413 CONECT 413 412 414 CONECT 414 413 CONECT 415 407 CONECT 761 756 762 769 CONECT 762 761 763 765 CONECT 763 762 764 770 CONECT 764 763 CONECT 765 762 766 CONECT 766 765 767 CONECT 767 766 768 CONECT 768 767 CONECT 769 761 CONECT 922 923 934 935 936 CONECT 934 922 CONECT 935 922 CONECT 936 922 CONECT 1008 998 1009 1016 CONECT 1009 1008 1010 1012 CONECT 1010 1009 1011 1017 CONECT 1011 1010 CONECT 1012 1009 1013 CONECT 1013 1012 1014 CONECT 1014 1013 1015 CONECT 1015 1014 CONECT 1016 1008 CONECT 1107 1098 1108 1115 CONECT 1108 1107 1109 1111 CONECT 1109 1108 1110 1116 CONECT 1110 1109 CONECT 1111 1108 1112 CONECT 1112 1111 1113 CONECT 1113 1112 1114 CONECT 1114 1113 CONECT 1115 1107 CONECT 1154 1155 1288 1289 1290 CONECT 1155 1154 1156 1282 1287 CONECT 1156 1155 1157 1158 CONECT 1157 1156 CONECT 1158 1156 1159 1281 CONECT 1159 1158 1160 1267 1280 CONECT 1160 1159 1161 1162 CONECT 1161 1160 CONECT 1162 1160 1163 1266 CONECT 1163 1162 1164 1259 1265 CONECT 1164 1163 1165 1166 CONECT 1165 1164 CONECT 1166 1164 1167 1258 CONECT 1167 1166 1168 1252 1257 CONECT 1168 1167 1169 1170 CONECT 1169 1168 CONECT 1170 1168 1171 1251 CONECT 1171 1170 1172 1180 1250 CONECT 1172 1171 1173 1178 1179 CONECT 1173 1172 1174 CONECT 1174 1173 1175 1176 1177 CONECT 1175 1174 CONECT 1176 1174 CONECT 1177 1174 CONECT 1178 1172 CONECT 1179 1172 CONECT 1180 1171 1181 1182 CONECT 1181 1180 CONECT 1182 1180 1183 1242 CONECT 1183 1182 1184 1240 1249 CONECT 1184 1183 1185 1186 CONECT 1185 1184 CONECT 1186 1184 1187 1232 CONECT 1187 1186 1188 1230 1239 CONECT 1188 1187 1189 1190 CONECT 1189 1188 CONECT 1190 1188 1191 1229 CONECT 1191 1190 1192 1220 1228 CONECT 1192 1191 1193 1194 CONECT 1193 1192 CONECT 1194 1192 1195 1219 CONECT 1195 1194 1196 1210 1218 CONECT 1196 1195 1197 1198 CONECT 1197 1196 CONECT 1198 1196 1199 1209 CONECT 1199 1198 1200 1203 1208 CONECT 1200 1199 1201 1202 CONECT 1201 1200 CONECT 1202 1200 CONECT 1203 1199 1204 1206 1207 CONECT 1204 1203 1205 CONECT 1205 1204 CONECT 1206 1203 CONECT 1207 1203 CONECT 1208 1199 CONECT 1209 1198 CONECT 1210 1195 1211 1213 1217 CONECT 1211 1210 1212 CONECT 1212 1211 CONECT 1213 1210 1214 1215 1216 CONECT 1214 1213 CONECT 1215 1213 CONECT 1216 1213 CONECT 1217 1210 CONECT 1218 1195 CONECT 1219 1194 CONECT 1220 1191 1221 1226 1227 CONECT 1221 1220 1222 1223 CONECT 1222 1221 CONECT 1223 1221 1224 1225 CONECT 1224 1223 CONECT 1225 1223 CONECT 1226 1220 CONECT 1227 1220 CONECT 1228 1191 CONECT 1229 1190 CONECT 1230 1187 1231 1237 1238 CONECT 1231 1230 1232 1235 1236 CONECT 1232 1186 1231 1233 1234 CONECT 1233 1232 CONECT 1234 1232 CONECT 1235 1231 CONECT 1236 1231 CONECT 1237 1230 CONECT 1238 1230 CONECT 1239 1187 CONECT 1240 1183 1241 1247 1248 CONECT 1241 1240 1242 1245 1246 CONECT 1242 1182 1241 1243 1244 CONECT 1243 1242 CONECT 1244 1242 CONECT 1245 1241 CONECT 1246 1241 CONECT 1247 1240 CONECT 1248 1240 CONECT 1249 1183 CONECT 1250 1171 CONECT 1251 1170 CONECT 1252 1167 1253 1255 1256 CONECT 1253 1252 1254 CONECT 1254 1253 CONECT 1255 1252 CONECT 1256 1252 CONECT 1257 1167 CONECT 1258 1166 CONECT 1259 1163 1260 1263 1264 CONECT 1260 1259 1261 1262 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1259 CONECT 1264 1259 CONECT 1265 1163 CONECT 1266 1162 CONECT 1267 1159 1268 1278 1279 CONECT 1268 1267 1269 1273 1277 CONECT 1269 1268 1270 1271 1272 CONECT 1270 1269 CONECT 1271 1269 CONECT 1272 1269 CONECT 1273 1268 1274 1275 1276 CONECT 1274 1273 CONECT 1275 1273 CONECT 1276 1273 CONECT 1277 1268 CONECT 1278 1267 CONECT 1279 1267 CONECT 1280 1159 CONECT 1281 1158 CONECT 1282 1155 1283 1285 1286 CONECT 1283 1282 1284 CONECT 1284 1283 CONECT 1285 1282 CONECT 1286 1282 CONECT 1287 1155 CONECT 1288 1154 CONECT 1289 1154 CONECT 1290 1154 MASTER 0 0 0 0 0 0 0 0 1288 2 181 9 END
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Entry Information
PDB ID
6qtm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Sir4 H-BRCT domain
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
3(Å)
Affinity (Kd/Ki/IC50)
Kd=5.57uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Embo J. Vol. 38: pp. e101744-e101744
Ligand Properties
Formula
C
4
0
H
6
8
N
1
1
O
2
2
P
Molecular Weight
1086.000
Exact Mass
1085.430
No. of atoms
142
No. of bonds
143
Polar Surface Area
554.08
LOGP Value
-9.49 (
Computed with XLOGP3
)
-7.21 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)[C@H](O)C)CC(=O)N)COP(O)(O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)[NH3+])CC(C)C)CC(=O)O
InChI String
InChI=1S/C40H68N11O22P/c1-17(2)10-20(43-31(59)19(41)13-52)32(60)44-22(12-29(57)58)33(61)46-23(14-53)35(63)48-25(16-73-74(70,71)72)38(66)51-9-5-7-27(51)39(67)50-8-4-6-26(50)36(64)45-21(11-28(42)56)34(62)49-30(18(3)55)37(65)47-24(15-54)40(68)69/h17-27,30,52-55,70-72,74H,4-16,41H2,1-3H3,(H2,42,56)(H,43,59)(H,44,60)(H,45,64)(H,46,61)(H,47,65)(H,48,63)(H,49,62)(H,57,58)(H,68,69)/p+1/t18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,30+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P11978
O42838
Entrez Gene ID
NCBI Entrez Gene ID:
851813
ASD
Information of known allosteric effects of PDB entries
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