Browse entries in the PDBbind-CN Database
HEADER 6QSZ_COMPLEX COMPND 6QSZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 91 SER LYS SER SER TRP ARG GLN GLU TRP LEU ALA ASN LEU SEQRES 2 A 91 LYS LEU ILE SER VAL SER LEU VAL ASP GLU PHE PRO SER SEQRES 3 A 91 GLU LEU SER ASP SER ASP ARG GLN ILE ILE ASN GLU LYS SEQRES 4 A 91 MSE GLN LEU LEU LYS ASP ILE PHE ALA ASN ASN LEU LYS SEQRES 5 A 91 SER ALA ILE SER ASN ASN PHE ARG GLU SER ASP ILE ILE SEQRES 6 A 91 ILE LEU LYS GLY GLU ILE GLU ASP TYR PRO MSE SER SER SEQRES 7 A 91 GLU ILE LYS ILE TYR TYR ASN GLU LEU GLN ASN LYS PRO 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 THR A 142 127 ATOM 1 N SER A 970 13.570 8.325 -11.624 1.00 90.69 N ATOM 2 CA SER A 970 13.360 8.493 -10.190 1.00 88.51 C ATOM 3 C SER A 970 12.854 7.220 -9.521 1.00 87.08 C ATOM 4 O SER A 970 13.318 6.921 -8.420 1.00 84.60 O ATOM 5 CB SER A 970 12.448 9.674 -9.879 1.00 96.00 C ATOM 6 OG SER A 970 12.309 9.855 -8.476 1.00103.61 O ATOM 7 HG SER A 970 13.199 10.027 -8.077 1.00 0.00 H ATOM 8 HN3 SER A 970 12.672 8.060 -12.076 1.00 0.00 H ATOM 9 HN2 SER A 970 14.274 7.577 -11.785 1.00 0.00 H ATOM 10 HN1 SER A 970 13.914 9.219 -12.030 1.00 0.00 H ATOM 11 N LYS A 971 11.914 6.465 -10.152 1.00 81.40 N ATOM 12 CA LYS A 971 11.526 5.170 -9.578 1.00 76.16 C ATOM 13 C LYS A 971 12.738 4.208 -9.708 1.00 80.94 C ATOM 14 O LYS A 971 12.953 3.371 -8.832 1.00 77.63 O ATOM 15 CB LYS A 971 10.264 4.588 -10.230 1.00 76.53 C ATOM 16 CG LYS A 971 9.708 3.377 -9.461 1.00 69.64 C ATOM 17 CD LYS A 971 8.481 2.773 -10.106 1.00 71.66 C ATOM 18 CE LYS A 971 8.342 1.292 -9.797 1.00 70.69 C ATOM 19 NZ LYS A 971 7.119 0.694 -10.402 1.00 76.12 N ATOM 20 HZ1 LYS A 971 6.277 1.179 -10.031 1.00 0.00 H ATOM 21 HZ2 LYS A 971 7.156 0.803 -11.436 1.00 0.00 H ATOM 22 HZ3 LYS A 971 7.073 -0.317 -10.161 1.00 0.00 H ATOM 23 H LYS A 971 11.475 6.802 -11.032 1.00 0.00 H ATOM 24 N SER A 972 13.559 4.391 -10.770 1.00 82.26 N ATOM 25 CA SER A 972 14.787 3.631 -11.051 1.00 82.04 C ATOM 26 C SER A 972 15.787 3.836 -9.918 1.00 84.86 C ATOM 27 O SER A 972 16.348 2.856 -9.424 1.00 81.95 O ATOM 28 CB SER A 972 15.417 4.081 -12.366 1.00 89.40 C ATOM 29 OG SER A 972 14.431 4.194 -13.374 1.00100.42 O ATOM 30 HG SER A 972 14.856 4.486 -14.219 1.00 0.00 H ATOM 31 H SER A 972 13.298 5.136 -11.447 1.00 0.00 H ATOM 32 N SER A 973 15.989 5.113 -9.502 1.00 82.82 N ATOM 33 CA SER A 973 16.879 5.517 -8.409 1.00 82.10 C ATOM 34 C SER A 973 16.365 4.962 -7.061 1.00 79.84 C ATOM 35 O SER A 973 17.151 4.444 -6.267 1.00 77.89 O ATOM 36 CB SER A 973 16.997 7.039 -8.370 1.00 90.33 C ATOM 37 OG SER A 973 17.449 7.507 -7.109 1.00100.37 O ATOM 38 HG SER A 973 17.511 8.495 -7.128 1.00 0.00 H ATOM 39 H SER A 973 15.470 5.865 -9.999 1.00 0.00 H ATOM 40 N TRP A 974 15.033 5.056 -6.841 1.00 72.96 N ATOM 41 CA TRP A 974 14.290 4.573 -5.683 1.00 67.50 C ATOM 42 C TRP A 974 14.446 3.056 -5.561 1.00 67.57 C ATOM 43 O TRP A 974 14.545 2.559 -4.440 1.00 65.27 O ATOM 44 CB TRP A 974 12.801 4.988 -5.795 1.00 65.40 C ATOM 45 CG TRP A 974 11.883 4.324 -4.807 1.00 61.90 C ATOM 46 CD1 TRP A 974 11.572 4.754 -3.548 1.00 64.15 C ATOM 47 CD2 TRP A 974 11.165 3.102 -5.002 1.00 58.08 C ATOM 48 NE1 TRP A 974 10.744 3.846 -2.927 1.00 59.66 N ATOM 49 CE2 TRP A 974 10.481 2.820 -3.798 1.00 59.44 C ATOM 50 CE3 TRP A 974 11.072 2.190 -6.064 1.00 58.41 C ATOM 51 CZ2 TRP A 974 9.709 1.667 -3.632 1.00 55.55 C ATOM 52 CZ3 TRP A 974 10.295 1.062 -5.907 1.00 56.82 C ATOM 53 CH2 TRP A 974 9.625 0.806 -4.701 1.00 55.22 C ATOM 54 HE1 TRP A 974 10.378 3.925 -1.957 1.00 0.00 H ATOM 55 H TRP A 974 14.476 5.526 -7.582 1.00 0.00 H ATOM 56 N ARG A 975 14.462 2.323 -6.700 1.00 63.59 N ATOM 57 CA ARG A 975 14.640 0.865 -6.721 1.00 60.77 C ATOM 58 C ARG A 975 16.081 0.491 -6.374 1.00 67.99 C ATOM 59 O ARG A 975 16.284 -0.398 -5.559 1.00 66.66 O ATOM 60 CB ARG A 975 14.193 0.256 -8.071 1.00 60.02 C ATOM 61 CG ARG A 975 14.574 -1.226 -8.314 1.00 57.69 C ATOM 62 CD ARG A 975 13.777 -1.876 -9.433 1.00 61.55 C ATOM 63 NE ARG A 975 13.808 -1.061 -10.651 1.00 85.78 N ATOM 64 CZ ARG A 975 12.736 -0.657 -11.332 1.00102.43 C ATOM 65 NH1 ARG A 975 11.520 -1.037 -10.962 1.00 81.63 N ATOM 66 NH2 ARG A 975 12.879 0.100 -12.413 1.00 98.48 N ATOM 67 HE ARG A 975 14.740 -0.775 -11.012 1.00 0.00 H ATOM 68 HH12 ARG A 975 10.689 -0.717 -11.499 1.00 0.00 H ATOM 69 HH11 ARG A 975 11.398 -1.655 -10.135 1.00 0.00 H ATOM 70 HH22 ARG A 975 12.041 0.414 -12.943 1.00 0.00 H ATOM 71 HH21 ARG A 975 13.829 0.379 -12.730 1.00 0.00 H ATOM 72 H ARG A 975 14.342 2.818 -7.607 1.00 0.00 H ATOM 73 N GLN A 976 17.072 1.186 -6.949 1.00 69.42 N ATOM 74 CA GLN A 976 18.485 0.914 -6.687 1.00 71.03 C ATOM 75 C GLN A 976 18.865 1.158 -5.222 1.00 74.16 C ATOM 76 O GLN A 976 19.606 0.356 -4.646 1.00 73.41 O ATOM 77 CB GLN A 976 19.394 1.671 -7.660 1.00 77.29 C ATOM 78 CG GLN A 976 19.318 1.144 -9.105 1.00100.54 C ATOM 79 CD GLN A 976 19.513 -0.363 -9.247 1.00115.62 C ATOM 80 OE1 GLN A 976 20.512 -0.947 -8.777 1.00108.46 O ATOM 81 NE2 GLN A 976 18.562 -1.021 -9.924 1.00 99.20 N ATOM 82 HE22 GLN A 976 17.742 -0.505 -10.303 1.00 0.00 H ATOM 83 HE21 GLN A 976 18.644 -2.047 -10.071 1.00 0.00 H ATOM 84 H GLN A 976 16.826 1.951 -7.609 1.00 0.00 H ATOM 85 N GLU A 977 18.304 2.227 -4.619 1.00 70.09 N ATOM 86 CA GLU A 977 18.451 2.588 -3.209 1.00 68.29 C ATOM 87 C GLU A 977 17.864 1.473 -2.348 1.00 66.33 C ATOM 88 O GLU A 977 18.504 1.046 -1.398 1.00 65.02 O ATOM 89 CB GLU A 977 17.712 3.893 -2.934 1.00 71.77 C ATOM 90 CG GLU A 977 18.641 5.068 -2.738 1.00 89.60 C ATOM 91 CD GLU A 977 17.901 6.383 -2.675 1.00117.92 C ATOM 92 OE1 GLU A 977 17.420 6.734 -1.575 1.00106.03 O ATOM 93 OE2 GLU A 977 17.788 7.055 -3.725 1.00123.51 O ATOM 94 H GLU A 977 17.715 2.849 -5.209 1.00 0.00 H ATOM 95 N TRP A 978 16.673 0.955 -2.728 1.00 60.55 N ATOM 96 CA TRP A 978 15.995 -0.133 -2.022 1.00 56.77 C ATOM 97 C TRP A 978 16.683 -1.454 -2.159 1.00 58.05 C ATOM 98 O TRP A 978 16.655 -2.236 -1.222 1.00 56.93 O ATOM 99 CB TRP A 978 14.544 -0.286 -2.478 1.00 54.46 C ATOM 100 CG TRP A 978 13.545 0.350 -1.560 1.00 54.47 C ATOM 101 CD1 TRP A 978 12.781 1.443 -1.827 1.00 58.99 C ATOM 102 CD2 TRP A 978 13.227 -0.045 -0.220 1.00 52.48 C ATOM 103 NE1 TRP A 978 11.988 1.742 -0.752 1.00 57.63 N ATOM 104 CE2 TRP A 978 12.238 0.846 0.253 1.00 56.65 C ATOM 105 CE3 TRP A 978 13.706 -1.054 0.649 1.00 52.11 C ATOM 106 CZ2 TRP A 978 11.726 0.777 1.559 1.00 54.70 C ATOM 107 CZ3 TRP A 978 13.184 -1.136 1.939 1.00 51.81 C ATOM 108 CH2 TRP A 978 12.209 -0.228 2.383 1.00 52.94 C ATOM 109 HE1 TRP A 978 11.305 2.525 -0.706 1.00 0.00 H ATOM 110 H TRP A 978 16.213 1.353 -3.571 1.00 0.00 H ATOM 111 N LEU A 979 17.240 -1.734 -3.338 1.00 54.51 N ATOM 112 CA LEU A 979 17.936 -2.973 -3.645 1.00 52.44 C ATOM 113 C LEU A 979 19.213 -3.120 -2.838 1.00 58.83 C ATOM 114 O LEU A 979 19.441 -4.186 -2.264 1.00 58.24 O ATOM 115 CB LEU A 979 18.236 -3.049 -5.132 1.00 53.37 C ATOM 116 CG LEU A 979 17.129 -3.540 -6.046 1.00 55.96 C ATOM 117 CD1 LEU A 979 17.561 -3.414 -7.504 1.00 58.32 C ATOM 118 CD2 LEU A 979 16.724 -4.991 -5.725 1.00 53.49 C ATOM 119 H LEU A 979 17.172 -1.017 -4.089 1.00 0.00 H ATOM 120 N ALA A 980 20.048 -2.056 -2.812 1.00 57.25 N ATOM 121 CA ALA A 980 21.287 -1.985 -2.055 1.00 58.09 C ATOM 122 C ALA A 980 20.982 -2.171 -0.560 1.00 61.85 C ATOM 123 O ALA A 980 21.652 -2.978 0.095 1.00 63.64 O ATOM 124 CB ALA A 980 21.960 -0.641 -2.293 1.00 62.42 C ATOM 125 H ALA A 980 19.783 -1.224 -3.377 1.00 0.00 H ATOM 126 N ASN A 981 19.943 -1.462 -0.038 1.00 55.94 N ATOM 127 CA ASN A 981 19.493 -1.523 1.351 1.00 53.10 C ATOM 128 C ASN A 981 18.908 -2.860 1.736 1.00 52.96 C ATOM 129 O ASN A 981 19.014 -3.223 2.894 1.00 53.20 O ATOM 130 CB ASN A 981 18.476 -0.440 1.622 1.00 56.73 C ATOM 131 CG ASN A 981 19.054 0.941 1.759 1.00101.59 C ATOM 132 OD1 ASN A 981 20.186 1.222 1.354 1.00103.69 O ATOM 133 ND2 ASN A 981 18.261 1.853 2.303 1.00 99.65 N ATOM 134 HD22 ASN A 981 17.312 1.586 2.635 1.00 0.00 H ATOM 135 HD21 ASN A 981 18.587 2.836 2.398 1.00 0.00 H ATOM 136 H ASN A 981 19.428 -0.826 -0.680 1.00 0.00 H ATOM 137 N LEU A 982 18.266 -3.589 0.810 1.00 47.93 N ATOM 138 CA LEU A 982 17.684 -4.901 1.142 1.00 46.23 C ATOM 139 C LEU A 982 18.721 -5.965 1.500 1.00 53.94 C ATOM 140 O LEU A 982 18.387 -6.904 2.206 1.00 53.62 O ATOM 141 CB LEU A 982 16.747 -5.441 0.050 1.00 44.94 C ATOM 142 CG LEU A 982 15.375 -4.812 -0.114 1.00 46.70 C ATOM 143 CD1 LEU A 982 14.866 -5.039 -1.527 1.00 45.40 C ATOM 144 CD2 LEU A 982 14.400 -5.269 0.991 1.00 44.67 C ATOM 145 H LEU A 982 18.178 -3.221 -0.159 1.00 0.00 H ATOM 146 N LYS A 983 19.952 -5.835 0.990 1.00 54.44 N ATOM 147 CA LYS A 983 21.109 -6.716 1.250 1.00 55.22 C ATOM 148 C LYS A 983 21.533 -6.655 2.735 1.00 61.28 C ATOM 149 O LYS A 983 22.124 -7.617 3.252 1.00 61.52 O ATOM 150 CB LYS A 983 22.304 -6.314 0.360 1.00 57.44 C ATOM 151 CG LYS A 983 22.139 -6.642 -1.118 1.00 60.87 C ATOM 152 CD LYS A 983 23.381 -6.280 -1.928 1.00 66.65 C ATOM 153 CE LYS A 983 23.147 -6.320 -3.417 1.00 79.65 C ATOM 154 NZ LYS A 983 23.615 -5.063 -4.081 1.00 94.48 N ATOM 155 HZ1 LYS A 983 23.097 -4.251 -3.688 1.00 0.00 H ATOM 156 HZ2 LYS A 983 24.634 -4.941 -3.911 1.00 0.00 H ATOM 157 HZ3 LYS A 983 23.438 -5.126 -5.104 1.00 0.00 H ATOM 158 H LYS A 983 20.110 -5.033 0.346 1.00 0.00 H ATOM 159 N LEU A 984 21.230 -5.514 3.400 1.00 57.92 N ATOM 160 CA LEU A 984 21.525 -5.239 4.809 1.00 57.68 C ATOM 161 C LEU A 984 20.253 -5.225 5.703 1.00 64.66 C ATOM 162 O LEU A 984 20.302 -4.696 6.817 1.00 68.87 O ATOM 163 CB LEU A 984 22.271 -3.888 4.961 1.00 59.05 C ATOM 164 CG LEU A 984 23.259 -3.440 3.910 1.00 62.72 C ATOM 165 CD1 LEU A 984 23.519 -1.965 4.049 1.00 64.39 C ATOM 166 CD2 LEU A 984 24.534 -4.226 3.993 1.00 62.13 C ATOM 167 H LEU A 984 20.745 -4.767 2.863 1.00 0.00 H ATOM 168 N ILE A 985 19.123 -5.792 5.237 1.00 58.31 N ATOM 169 CA ILE A 985 17.850 -5.840 5.980 1.00 55.27 C ATOM 170 C ILE A 985 17.548 -7.288 6.417 1.00 57.69 C ATOM 171 O ILE A 985 17.936 -8.231 5.720 1.00 57.31 O ATOM 172 CB ILE A 985 16.713 -5.188 5.091 1.00 57.54 C ATOM 173 CG1 ILE A 985 16.531 -3.693 5.412 1.00 59.94 C ATOM 174 CG2 ILE A 985 15.343 -5.925 5.085 1.00 54.34 C ATOM 175 CD1 ILE A 985 15.923 -2.836 4.296 1.00 70.74 C ATOM 176 H ILE A 985 19.150 -6.224 4.291 1.00 0.00 H ATOM 177 N SER A 986 16.866 -7.447 7.584 1.00 54.45 N ATOM 178 CA SER A 986 16.351 -8.713 8.133 1.00 53.09 C ATOM 179 C SER A 986 14.827 -8.679 7.922 1.00 53.58 C ATOM 180 O SER A 986 14.193 -7.682 8.264 1.00 52.64 O ATOM 181 CB SER A 986 16.664 -8.846 9.624 1.00 59.07 C ATOM 182 OG SER A 986 18.044 -9.040 9.894 1.00 76.25 O ATOM 183 HG SER A 986 18.180 -9.118 10.871 1.00 0.00 H ATOM 184 H SER A 986 16.691 -6.588 8.144 1.00 0.00 H ATOM 185 N VAL A 987 14.250 -9.731 7.310 1.00 48.87 N ATOM 186 CA VAL A 987 12.807 -9.848 7.017 1.00 46.77 C ATOM 187 C VAL A 987 12.204 -11.009 7.796 1.00 52.26 C ATOM 188 O VAL A 987 12.806 -12.077 7.887 1.00 54.18 O ATOM 189 CB VAL A 987 12.454 -9.979 5.512 1.00 49.64 C ATOM 190 CG1 VAL A 987 10.997 -9.615 5.263 1.00 48.13 C ATOM 191 CG2 VAL A 987 13.363 -9.127 4.638 1.00 50.25 C ATOM 192 H VAL A 987 14.866 -10.519 7.023 1.00 0.00 H ATOM 193 N SER A 988 11.013 -10.796 8.350 1.00 47.90 N ATOM 194 CA SER A 988 10.283 -11.803 9.104 1.00 47.44 C ATOM 195 C SER A 988 8.907 -11.975 8.503 1.00 47.82 C ATOM 196 O SER A 988 8.278 -11.009 8.102 1.00 46.28 O ATOM 197 CB SER A 988 10.183 -11.414 10.572 1.00 52.45 C ATOM 198 OG SER A 988 10.122 -12.566 11.397 1.00 65.13 O ATOM 199 HG SER A 988 10.940 -13.108 11.266 1.00 0.00 H ATOM 200 H SER A 988 10.580 -9.857 8.238 1.00 0.00 H ATOM 201 N LEU A 989 8.473 -13.216 8.374 1.00 44.45 N ATOM 202 CA LEU A 989 7.175 -13.557 7.799 1.00 43.42 C ATOM 203 C LEU A 989 6.384 -14.259 8.906 1.00 51.65 C ATOM 204 O LEU A 989 6.746 -15.371 9.331 1.00 54.17 O ATOM 205 CB LEU A 989 7.363 -14.445 6.540 1.00 42.89 C ATOM 206 CG LEU A 989 8.069 -13.749 5.354 1.00 44.53 C ATOM 207 CD1 LEU A 989 9.558 -14.081 5.308 1.00 44.50 C ATOM 208 CD2 LEU A 989 7.421 -14.077 4.051 1.00 43.95 C ATOM 209 H LEU A 989 9.087 -13.990 8.699 1.00 0.00 H ATOM 210 N VAL A 990 5.375 -13.551 9.446 1.00 47.99 N ATOM 211 CA VAL A 990 4.520 -14.028 10.550 1.00 49.46 C ATOM 212 C VAL A 990 3.666 -15.274 10.150 1.00 54.68 C ATOM 213 O VAL A 990 3.351 -15.467 8.968 1.00 53.06 O ATOM 214 CB VAL A 990 3.652 -12.906 11.197 1.00 52.24 C ATOM 215 CG1 VAL A 990 4.494 -11.693 11.563 1.00 51.17 C ATOM 216 CG2 VAL A 990 2.490 -12.494 10.301 1.00 51.16 C ATOM 217 H VAL A 990 5.185 -12.604 9.059 1.00 0.00 H ATOM 218 N ASP A 991 3.349 -16.121 11.140 1.00 53.97 N ATOM 219 CA ASP A 991 2.550 -17.327 10.964 1.00 57.11 C ATOM 220 C ASP A 991 1.075 -17.104 11.320 1.00 62.88 C ATOM 221 O ASP A 991 0.202 -17.890 10.923 1.00 65.39 O ATOM 222 CB ASP A 991 3.140 -18.490 11.782 1.00 62.21 C ATOM 223 CG ASP A 991 4.273 -19.187 11.071 1.00 77.88 C ATOM 224 OD1 ASP A 991 4.084 -19.579 9.899 1.00 79.62 O ATOM 225 OD2 ASP A 991 5.352 -19.339 11.683 1.00 86.63 O ATOM 226 H ASP A 991 3.696 -15.903 12.096 1.00 0.00 H ATOM 227 N GLU A 992 0.803 -16.026 12.058 1.00 57.88 N ATOM 228 CA GLU A 992 -0.531 -15.657 12.518 1.00 57.51 C ATOM 229 C GLU A 992 -1.402 -15.103 11.400 1.00 54.72 C ATOM 230 O GLU A 992 -0.972 -14.249 10.620 1.00 50.49 O ATOM 231 CB GLU A 992 -0.432 -14.678 13.718 1.00 59.11 C ATOM 232 CG GLU A 992 -1.750 -14.152 14.264 1.00 74.26 C ATOM 233 CD GLU A 992 -2.173 -14.578 15.656 1.00106.27 C ATOM 234 OE1 GLU A 992 -1.299 -14.631 16.552 1.00113.02 O ATOM 235 OE2 GLU A 992 -3.393 -14.788 15.866 1.00 96.95 O ATOM 236 H GLU A 992 1.596 -15.407 12.323 1.00 0.00 H ATOM 237 N PHE A 993 -2.643 -15.614 11.334 1.00 50.25 N ATOM 238 CA PHE A 993 -3.669 -15.105 10.444 1.00 48.21 C ATOM 239 C PHE A 993 -4.469 -14.116 11.268 1.00 52.46 C ATOM 240 O PHE A 993 -4.742 -14.417 12.443 1.00 56.35 O ATOM 241 CB PHE A 993 -4.561 -16.233 9.918 1.00 51.64 C ATOM 242 CG PHE A 993 -4.053 -16.848 8.634 1.00 52.07 C ATOM 243 CD1 PHE A 993 -3.409 -18.081 8.642 1.00 54.75 C ATOM 244 CD2 PHE A 993 -4.201 -16.186 7.419 1.00 51.03 C ATOM 245 CE1 PHE A 993 -2.942 -18.648 7.455 1.00 54.60 C ATOM 246 CE2 PHE A 993 -3.734 -16.761 6.237 1.00 53.23 C ATOM 247 CZ PHE A 993 -3.114 -17.987 6.263 1.00 52.11 C ATOM 248 H PHE A 993 -2.880 -16.416 11.953 1.00 0.00 H ATOM 249 N PRO A 994 -4.808 -12.909 10.742 1.00 45.48 N ATOM 250 CA PRO A 994 -5.556 -11.939 11.575 1.00 43.88 C ATOM 251 C PRO A 994 -6.976 -12.350 11.900 1.00 51.41 C ATOM 252 O PRO A 994 -7.430 -12.155 13.026 1.00 53.84 O ATOM 253 CB PRO A 994 -5.540 -10.658 10.733 1.00 44.22 C ATOM 254 CG PRO A 994 -5.390 -11.116 9.311 1.00 48.50 C ATOM 255 CD PRO A 994 -4.538 -12.370 9.387 1.00 44.97 C ATOM 256 N SER A 995 -7.685 -12.896 10.896 1.00 49.01 N ATOM 257 CA SER A 995 -9.086 -13.230 10.951 1.00 50.82 C ATOM 258 C SER A 995 -9.414 -14.613 10.366 1.00 57.90 C ATOM 259 O SER A 995 -8.506 -15.352 10.003 1.00 58.78 O ATOM 260 CB SER A 995 -9.887 -12.118 10.274 1.00 54.49 C ATOM 261 OG SER A 995 -9.641 -12.010 8.884 1.00 64.50 O ATOM 262 HG SER A 995 -8.681 -11.818 8.734 1.00 0.00 H ATOM 263 H SER A 995 -7.181 -13.093 10.008 1.00 0.00 H ATOM 264 N GLU A 996 -10.717 -14.963 10.287 1.00 56.22 N ATOM 265 CA GLU A 996 -11.201 -16.242 9.786 1.00 56.96 C ATOM 266 C GLU A 996 -11.279 -16.252 8.269 1.00 63.62 C ATOM 267 O GLU A 996 -11.821 -15.314 7.688 1.00 64.74 O ATOM 268 CB GLU A 996 -12.558 -16.563 10.407 1.00 60.62 C ATOM 269 CG GLU A 996 -12.479 -17.215 11.772 1.00 65.88 C ATOM 270 CD GLU A 996 -12.370 -18.727 11.773 1.00 91.41 C ATOM 271 OE1 GLU A 996 -13.249 -19.390 11.174 1.00 91.80 O ATOM 272 OE2 GLU A 996 -11.424 -19.250 12.406 1.00 92.05 O ATOM 273 H GLU A 996 -11.424 -14.270 10.606 1.00 0.00 H ATOM 274 N LEU A 997 -10.731 -17.309 7.630 1.00 60.53 N ATOM 275 CA LEU A 997 -10.712 -17.502 6.176 1.00 60.84 C ATOM 276 C LEU A 997 -11.070 -18.916 5.840 1.00 67.67 C ATOM 277 O LEU A 997 -10.909 -19.799 6.687 1.00 68.34 O ATOM 278 CB LEU A 997 -9.292 -17.362 5.612 1.00 58.83 C ATOM 279 CG LEU A 997 -8.435 -16.194 5.909 1.00 61.80 C ATOM 280 CD1 LEU A 997 -7.070 -16.512 5.469 1.00 60.25 C ATOM 281 CD2 LEU A 997 -8.932 -14.945 5.177 1.00 65.05 C ATOM 282 H LEU A 997 -10.287 -18.045 8.216 1.00 0.00 H ATOM 283 N SER A 998 -11.328 -19.177 4.542 1.00 66.31 N ATOM 284 CA SER A 998 -11.545 -20.557 4.124 1.00 70.12 C ATOM 285 C SER A 998 -10.188 -21.283 4.038 1.00 71.28 C ATOM 286 O SER A 998 -9.148 -20.635 4.047 1.00 65.21 O ATOM 287 CB SER A 998 -12.275 -20.611 2.785 1.00 76.72 C ATOM 288 OG SER A 998 -11.427 -20.237 1.716 1.00 84.52 O ATOM 289 HG SER A 998 -11.104 -19.312 1.860 1.00 0.00 H ATOM 290 H SER A 998 -11.372 -18.404 3.848 1.00 0.00 H ATOM 291 N ASP A 999 -10.205 -22.626 3.950 1.00 72.51 N ATOM 292 CA ASP A 999 -8.992 -23.437 3.788 1.00 71.71 C ATOM 293 C ASP A 999 -8.292 -23.056 2.469 1.00 70.45 C ATOM 294 O ASP A 999 -7.075 -23.075 2.425 1.00 67.15 O ATOM 295 CB ASP A 999 -9.328 -24.941 3.803 1.00 78.95 C ATOM 296 CG ASP A 999 -9.842 -25.480 5.129 1.00 92.54 C ATOM 297 OD1 ASP A 999 -9.190 -25.224 6.168 1.00 87.98 O ATOM 298 OD2 ASP A 999 -10.886 -26.192 5.122 1.00107.08 O ATOM 299 H ASP A 999 -11.123 -23.113 3.999 1.00 0.00 H ATOM 300 N SER A1000 -9.068 -22.685 1.417 1.00 67.64 N ATOM 301 CA SER A1000 -8.596 -22.227 0.100 1.00 66.10 C ATOM 302 C SER A1000 -7.833 -20.908 0.235 1.00 65.87 C ATOM 303 O SER A1000 -6.713 -20.806 -0.259 1.00 63.98 O ATOM 304 CB SER A1000 -9.771 -22.073 -0.873 1.00 71.25 C ATOM 305 OG SER A1000 -9.681 -20.969 -1.769 1.00 71.89 O ATOM 306 HG SER A1000 -10.480 -20.954 -2.353 1.00 0.00 H ATOM 307 H SER A1000 -10.098 -22.729 1.556 1.00 0.00 H ATOM 308 N ASP A1001 -8.440 -19.907 0.910 1.00 61.05 N ATOM 309 CA ASP A1001 -7.851 -18.583 1.139 1.00 56.35 C ATOM 310 C ASP A1001 -6.579 -18.714 1.963 1.00 55.25 C ATOM 311 O ASP A1001 -5.587 -18.075 1.633 1.00 51.41 O ATOM 312 CB ASP A1001 -8.861 -17.632 1.808 1.00 58.45 C ATOM 313 CG ASP A1001 -10.141 -17.347 1.018 1.00 75.52 C ATOM 314 OD1 ASP A1001 -10.065 -17.259 -0.236 1.00 78.13 O ATOM 315 OD2 ASP A1001 -11.217 -17.179 1.660 1.00 78.20 O ATOM 316 H ASP A1001 -9.390 -20.088 1.293 1.00 0.00 H ATOM 317 N ARG A1002 -6.589 -19.604 2.992 1.00 53.58 N ATOM 318 CA ARG A1002 -5.442 -19.935 3.867 1.00 52.01 C ATOM 319 C ARG A1002 -4.273 -20.443 3.031 1.00 55.60 C ATOM 320 O ARG A1002 -3.183 -19.890 3.115 1.00 53.50 O ATOM 321 CB ARG A1002 -5.820 -20.985 4.946 1.00 52.19 C ATOM 322 CG ARG A1002 -6.428 -20.375 6.211 1.00 57.26 C ATOM 323 CD ARG A1002 -6.548 -21.386 7.342 1.00 59.72 C ATOM 324 NE ARG A1002 -5.295 -21.544 8.080 1.00 66.06 N ATOM 325 CZ ARG A1002 -5.047 -21.016 9.275 1.00 79.10 C ATOM 326 NH1 ARG A1002 -5.976 -20.314 9.903 1.00 71.61 N ATOM 327 NH2 ARG A1002 -3.880 -21.222 9.870 1.00 67.78 N ATOM 328 HE ARG A1002 -4.543 -22.111 7.638 1.00 0.00 H ATOM 329 HH12 ARG A1002 -5.775 -19.904 10.837 1.00 0.00 H ATOM 330 HH11 ARG A1002 -6.907 -20.172 9.462 1.00 0.00 H ATOM 331 HH22 ARG A1002 -3.692 -20.806 10.805 1.00 0.00 H ATOM 332 HH21 ARG A1002 -3.152 -21.799 9.402 1.00 0.00 H ATOM 333 H ARG A1002 -7.485 -20.097 3.181 1.00 0.00 H ATOM 334 N GLN A1003 -4.538 -21.435 2.171 1.00 56.11 N ATOM 335 CA GLN A1003 -3.590 -22.075 1.251 1.00 57.78 C ATOM 336 C GLN A1003 -2.959 -21.079 0.256 1.00 59.60 C ATOM 337 O GLN A1003 -1.737 -21.095 0.076 1.00 57.79 O ATOM 338 CB GLN A1003 -4.270 -23.263 0.527 1.00 63.99 C ATOM 339 CG GLN A1003 -3.425 -23.990 -0.535 1.00101.28 C ATOM 340 CD GLN A1003 -2.321 -24.858 0.012 1.00137.94 C ATOM 341 OE1 GLN A1003 -1.797 -24.666 1.125 1.00137.80 O ATOM 342 NE2 GLN A1003 -1.925 -25.824 -0.796 1.00130.75 N ATOM 343 HE22 GLN A1003 -2.388 -25.953 -1.718 1.00 0.00 H ATOM 344 HE21 GLN A1003 -1.150 -26.456 -0.510 1.00 0.00 H ATOM 345 H GLN A1003 -5.516 -21.788 2.153 1.00 0.00 H ATOM 346 N ILE A1004 -3.786 -20.200 -0.354 1.00 55.98 N ATOM 347 CA ILE A1004 -3.336 -19.170 -1.288 1.00 54.05 C ATOM 348 C ILE A1004 -2.358 -18.214 -0.582 1.00 54.23 C ATOM 349 O ILE A1004 -1.277 -17.968 -1.107 1.00 52.65 O ATOM 350 CB ILE A1004 -4.543 -18.458 -1.969 1.00 58.13 C ATOM 351 CG1 ILE A1004 -5.265 -19.423 -2.921 1.00 61.31 C ATOM 352 CG2 ILE A1004 -4.121 -17.181 -2.714 1.00 58.82 C ATOM 353 CD1 ILE A1004 -6.722 -19.119 -3.147 1.00 71.21 C ATOM 354 H ILE A1004 -4.803 -20.261 -0.146 1.00 0.00 H ATOM 355 N ILE A1005 -2.706 -17.740 0.631 1.00 50.44 N ATOM 356 CA ILE A1005 -1.850 -16.843 1.412 1.00 48.20 C ATOM 357 C ILE A1005 -0.518 -17.520 1.720 1.00 52.95 C ATOM 358 O ILE A1005 0.530 -16.958 1.383 1.00 52.15 O ATOM 359 CB ILE A1005 -2.562 -16.258 2.664 1.00 50.31 C ATOM 360 CG1 ILE A1005 -3.770 -15.383 2.220 1.00 50.17 C ATOM 361 CG2 ILE A1005 -1.561 -15.444 3.523 1.00 47.69 C ATOM 362 CD1 ILE A1005 -4.766 -15.088 3.206 1.00 57.12 C ATOM 363 H ILE A1005 -3.623 -18.024 1.031 1.00 0.00 H ATOM 364 N ASN A1006 -0.563 -18.749 2.304 1.00 50.54 N ATOM 365 CA ASN A1006 0.608 -19.577 2.647 1.00 50.09 C ATOM 366 C ASN A1006 1.572 -19.762 1.466 1.00 54.87 C ATOM 367 O ASN A1006 2.778 -19.625 1.642 1.00 53.60 O ATOM 368 CB ASN A1006 0.170 -20.926 3.221 1.00 51.48 C ATOM 369 CG ASN A1006 -0.431 -20.863 4.622 1.00 67.28 C ATOM 370 OD1 ASN A1006 -0.219 -19.909 5.402 1.00 53.24 O ATOM 371 ND2 ASN A1006 -1.126 -21.934 5.002 1.00 58.97 N ATOM 372 HD22 ASN A1006 -1.288 -22.713 4.333 1.00 0.00 H ATOM 373 HD21 ASN A1006 -1.507 -21.991 5.968 1.00 0.00 H ATOM 374 H ASN A1006 -1.502 -19.136 2.527 1.00 0.00 H ATOM 375 N GLU A1007 1.036 -20.035 0.258 1.00 53.57 N ATOM 376 CA GLU A1007 1.822 -20.154 -0.963 1.00 52.82 C ATOM 377 C GLU A1007 2.548 -18.843 -1.263 1.00 53.08 C ATOM 378 O GLU A1007 3.738 -18.875 -1.501 1.00 54.52 O ATOM 379 CB GLU A1007 0.928 -20.548 -2.122 1.00 56.51 C ATOM 380 CG GLU A1007 1.716 -20.994 -3.343 1.00 70.78 C ATOM 381 CD GLU A1007 0.879 -21.337 -4.558 1.00 91.55 C ATOM 382 OE1 GLU A1007 -0.298 -20.910 -4.625 1.00 84.81 O ATOM 383 OE2 GLU A1007 1.417 -22.021 -5.458 1.00 84.67 O ATOM 384 H GLU A1007 0.006 -20.168 0.195 1.00 0.00 H ATOM 385 N LYS A1008 1.855 -17.706 -1.208 1.00 47.55 N ATOM 386 CA LYS A1008 2.416 -16.369 -1.434 1.00 45.05 C ATOM 387 C LYS A1008 3.481 -16.043 -0.424 1.00 47.68 C ATOM 388 O LYS A1008 4.505 -15.494 -0.811 1.00 47.85 O ATOM 389 CB LYS A1008 1.325 -15.279 -1.444 1.00 46.17 C ATOM 390 CG LYS A1008 0.496 -15.291 -2.717 1.00 53.77 C ATOM 391 CD LYS A1008 -0.659 -14.350 -2.623 1.00 62.27 C ATOM 392 CE LYS A1008 -1.586 -14.463 -3.795 1.00 66.79 C ATOM 393 NZ LYS A1008 -2.898 -13.823 -3.484 1.00 89.91 N ATOM 394 HZ1 LYS A1008 -3.328 -14.297 -2.664 1.00 0.00 H ATOM 395 HZ2 LYS A1008 -2.749 -12.817 -3.265 1.00 0.00 H ATOM 396 HZ3 LYS A1008 -3.528 -13.910 -4.306 1.00 0.00 H ATOM 397 H LYS A1008 0.841 -17.771 -0.988 1.00 0.00 H HETATM 398 N MSE A1009 3.264 -16.421 0.849 1.00 43.68 N HETATM 399 CA MSE A1009 4.206 -16.190 1.955 1.00 42.04 C HETATM 400 C MSE A1009 5.492 -16.889 1.683 1.00 45.08 C HETATM 401 O MSE A1009 6.555 -16.315 1.886 1.00 45.11 O HETATM 402 CB MSE A1009 3.628 -16.656 3.318 1.00 44.92 C HETATM 403 CG MSE A1009 2.481 -15.786 3.839 1.00 52.28 C HETATM 404 SE MSE A1009 2.847 -13.860 3.917 1.00 59.91 S HETATM 405 CE MSE A1009 3.624 -13.735 5.713 1.00 54.73 C HETATM 406 H MSE A1009 2.371 -16.909 1.065 1.00 0.00 H ATOM 407 N GLN A1010 5.400 -18.120 1.184 1.00 42.91 N ATOM 408 CA GLN A1010 6.541 -18.937 0.828 1.00 44.05 C ATOM 409 C GLN A1010 7.271 -18.370 -0.406 1.00 49.38 C ATOM 410 O GLN A1010 8.495 -18.309 -0.417 1.00 52.14 O ATOM 411 CB GLN A1010 6.100 -20.406 0.640 1.00 48.39 C ATOM 412 CG GLN A1010 7.165 -21.447 1.027 1.00 71.48 C ATOM 413 CD GLN A1010 7.887 -21.177 2.344 1.00 94.50 C ATOM 414 OE1 GLN A1010 9.124 -21.054 2.385 1.00 87.46 O ATOM 415 NE2 GLN A1010 7.133 -21.041 3.440 1.00 88.12 N ATOM 416 HE22 GLN A1010 6.101 -21.149 3.378 1.00 0.00 H ATOM 417 HE21 GLN A1010 7.579 -20.827 4.355 1.00 0.00 H ATOM 418 H GLN A1010 4.450 -18.519 1.041 1.00 0.00 H ATOM 419 N LEU A1011 6.532 -17.925 -1.412 1.00 45.04 N ATOM 420 CA LEU A1011 7.079 -17.339 -2.632 1.00 45.21 C ATOM 421 C LEU A1011 7.815 -16.073 -2.331 1.00 52.00 C ATOM 422 O LEU A1011 8.877 -15.830 -2.906 1.00 53.53 O ATOM 423 CB LEU A1011 5.947 -17.018 -3.605 1.00 45.17 C ATOM 424 CG LEU A1011 5.399 -18.158 -4.467 1.00 50.78 C ATOM 425 CD1 LEU A1011 4.561 -17.608 -5.544 1.00 50.87 C ATOM 426 CD2 LEU A1011 6.495 -18.989 -5.074 1.00 52.92 C ATOM 427 H LEU A1011 5.498 -17.998 -1.327 1.00 0.00 H ATOM 428 N LEU A1012 7.228 -15.262 -1.418 1.00 48.29 N ATOM 429 CA LEU A1012 7.769 -13.998 -0.941 1.00 47.04 C ATOM 430 C LEU A1012 9.036 -14.217 -0.158 1.00 51.60 C ATOM 431 O LEU A1012 9.985 -13.459 -0.329 1.00 51.66 O ATOM 432 CB LEU A1012 6.742 -13.266 -0.084 1.00 45.98 C ATOM 433 CG LEU A1012 5.635 -12.586 -0.859 1.00 51.05 C ATOM 434 CD1 LEU A1012 4.590 -12.089 0.063 1.00 50.51 C ATOM 435 CD2 LEU A1012 6.174 -11.508 -1.792 1.00 51.68 C ATOM 436 H LEU A1012 6.315 -15.568 -1.025 1.00 0.00 H ATOM 437 N LYS A1013 9.062 -15.261 0.696 1.00 48.86 N ATOM 438 CA LYS A1013 10.231 -15.621 1.506 1.00 48.75 C ATOM 439 C LYS A1013 11.411 -15.952 0.562 1.00 56.05 C ATOM 440 O LYS A1013 12.521 -15.463 0.792 1.00 56.96 O ATOM 441 CB LYS A1013 9.872 -16.798 2.427 1.00 51.27 C ATOM 442 CG LYS A1013 10.908 -17.185 3.467 1.00 60.38 C ATOM 443 CD LYS A1013 10.412 -18.398 4.235 1.00 75.18 C ATOM 444 CE LYS A1013 11.533 -19.200 4.852 1.00100.98 C ATOM 445 NZ LYS A1013 12.160 -20.148 3.885 1.00116.94 N ATOM 446 HZ1 LYS A1013 11.441 -20.816 3.540 1.00 0.00 H ATOM 447 HZ2 LYS A1013 12.552 -19.614 3.083 1.00 0.00 H ATOM 448 HZ3 LYS A1013 12.922 -20.672 4.360 1.00 0.00 H ATOM 449 H LYS A1013 8.205 -15.843 0.785 1.00 0.00 H ATOM 450 N ASP A1014 11.152 -16.703 -0.539 1.00 54.05 N ATOM 451 CA ASP A1014 12.147 -17.063 -1.560 1.00 56.29 C ATOM 452 C ASP A1014 12.698 -15.848 -2.311 1.00 58.06 C ATOM 453 O ASP A1014 13.902 -15.783 -2.559 1.00 58.84 O ATOM 454 CB ASP A1014 11.568 -18.086 -2.546 1.00 61.38 C ATOM 455 CG ASP A1014 11.829 -19.528 -2.149 1.00 84.83 C ATOM 456 OD1 ASP A1014 11.483 -19.908 -0.997 1.00 86.74 O ATOM 457 OD2 ASP A1014 12.372 -20.282 -2.986 1.00 97.42 O ATOM 458 H ASP A1014 10.180 -17.049 -0.670 1.00 0.00 H ATOM 459 N ILE A1015 11.828 -14.880 -2.636 1.00 53.13 N ATOM 460 CA ILE A1015 12.209 -13.658 -3.341 1.00 53.48 C ATOM 461 C ILE A1015 13.135 -12.830 -2.471 1.00 56.62 C ATOM 462 O ILE A1015 14.157 -12.367 -2.964 1.00 57.29 O ATOM 463 CB ILE A1015 10.974 -12.868 -3.874 1.00 56.51 C ATOM 464 CG1 ILE A1015 10.330 -13.623 -5.074 1.00 58.13 C ATOM 465 CG2 ILE A1015 11.360 -11.438 -4.297 1.00 57.52 C ATOM 466 CD1 ILE A1015 8.908 -13.304 -5.344 1.00 52.99 C ATOM 467 H ILE A1015 10.830 -15.006 -2.372 1.00 0.00 H ATOM 468 N PHE A1016 12.814 -12.691 -1.175 1.00 51.83 N ATOM 469 CA PHE A1016 13.627 -11.922 -0.233 1.00 50.32 C ATOM 470 C PHE A1016 14.977 -12.551 0.025 1.00 55.28 C ATOM 471 O PHE A1016 15.980 -11.840 0.046 1.00 55.73 O ATOM 472 CB PHE A1016 12.885 -11.695 1.083 1.00 50.65 C ATOM 473 CG PHE A1016 11.948 -10.513 1.047 1.00 51.29 C ATOM 474 CD1 PHE A1016 10.584 -10.695 0.851 1.00 53.15 C ATOM 475 CD2 PHE A1016 12.425 -9.219 1.234 1.00 53.94 C ATOM 476 CE1 PHE A1016 9.708 -9.606 0.855 1.00 53.94 C ATOM 477 CE2 PHE A1016 11.551 -8.128 1.240 1.00 56.31 C ATOM 478 CZ PHE A1016 10.198 -8.327 1.034 1.00 54.03 C ATOM 479 H PHE A1016 11.949 -13.150 -0.825 1.00 0.00 H ATOM 480 N ALA A1017 15.027 -13.877 0.185 1.00 52.13 N ATOM 481 CA ALA A1017 16.268 -14.569 0.476 1.00 52.79 C ATOM 482 C ALA A1017 17.176 -14.776 -0.716 1.00 60.46 C ATOM 483 O ALA A1017 18.385 -14.557 -0.596 1.00 63.27 O ATOM 484 CB ALA A1017 15.972 -15.898 1.150 1.00 53.85 C ATOM 485 H ALA A1017 14.150 -14.429 0.098 1.00 0.00 H ATOM 486 N ASN A1018 16.622 -15.225 -1.855 1.00 57.10 N ATOM 487 CA ASN A1018 17.406 -15.559 -3.049 1.00 58.04 C ATOM 488 C ASN A1018 17.549 -14.448 -4.073 1.00 63.37 C ATOM 489 O ASN A1018 18.570 -14.387 -4.754 1.00 66.70 O ATOM 490 CB ASN A1018 16.844 -16.816 -3.717 1.00 56.62 C ATOM 491 CG ASN A1018 16.750 -18.003 -2.778 1.00 80.41 C ATOM 492 OD1 ASN A1018 17.687 -18.292 -2.011 1.00 73.12 O ATOM 493 ND2 ASN A1018 15.624 -18.717 -2.813 1.00 72.38 N ATOM 494 HD22 ASN A1018 14.859 -18.450 -3.465 1.00 0.00 H ATOM 495 HD21 ASN A1018 15.511 -19.541 -2.188 1.00 0.00 H ATOM 496 H ASN A1018 15.589 -15.341 -1.892 1.00 0.00 H ATOM 497 N ASN A1019 16.545 -13.602 -4.231 1.00 58.86 N ATOM 498 CA ASN A1019 16.631 -12.540 -5.237 1.00 59.34 C ATOM 499 C ASN A1019 17.033 -11.200 -4.638 1.00 63.08 C ATOM 500 O ASN A1019 17.893 -10.521 -5.184 1.00 63.81 O ATOM 501 CB ASN A1019 15.323 -12.421 -6.033 1.00 56.75 C ATOM 502 CG ASN A1019 14.882 -13.692 -6.720 1.00 71.31 C ATOM 503 OD1 ASN A1019 13.852 -14.277 -6.389 1.00 74.74 O ATOM 504 ND2 ASN A1019 15.616 -14.126 -7.718 1.00 58.79 N ATOM 505 HD22 ASN A1019 16.484 -13.619 -7.984 1.00 0.00 H ATOM 506 HD21 ASN A1019 15.330 -14.977 -8.243 1.00 0.00 H ATOM 507 H ASN A1019 15.693 -13.690 -3.641 1.00 0.00 H ATOM 508 N LEU A1020 16.407 -10.815 -3.527 1.00 59.28 N ATOM 509 CA LEU A1020 16.676 -9.532 -2.866 1.00 59.45 C ATOM 510 C LEU A1020 17.903 -9.586 -1.958 1.00 61.59 C ATOM 511 O LEU A1020 18.501 -8.537 -1.687 1.00 60.25 O ATOM 512 CB LEU A1020 15.421 -8.983 -2.124 1.00 57.26 C ATOM 513 CG LEU A1020 14.190 -8.734 -3.005 1.00 60.89 C ATOM 514 CD1 LEU A1020 13.020 -8.172 -2.188 1.00 58.75 C ATOM 515 CD2 LEU A1020 14.534 -7.834 -4.179 1.00 61.49 C ATOM 516 H LEU A1020 15.697 -11.451 -3.110 1.00 0.00 H ATOM 517 N LYS A1021 18.284 -10.812 -1.523 1.00 58.64 N ATOM 518 CA LYS A1021 19.460 -11.148 -0.700 1.00 59.09 C ATOM 519 C LYS A1021 19.359 -10.665 0.762 1.00 64.69 C ATOM 520 O LYS A1021 20.369 -10.418 1.423 1.00 67.33 O ATOM 521 CB LYS A1021 20.775 -10.679 -1.369 1.00 62.24 C ATOM 522 CG LYS A1021 21.027 -11.228 -2.780 1.00 64.57 C ATOM 523 CD LYS A1021 21.033 -12.762 -2.847 1.00 68.51 C ATOM 524 CE LYS A1021 21.747 -13.314 -4.065 1.00 85.84 C ATOM 525 NZ LYS A1021 21.162 -12.869 -5.367 1.00 95.89 N ATOM 526 HZ1 LYS A1021 20.171 -13.179 -5.425 1.00 0.00 H ATOM 527 HZ2 LYS A1021 21.206 -11.832 -5.429 1.00 0.00 H ATOM 528 HZ3 LYS A1021 21.704 -13.287 -6.150 1.00 0.00 H ATOM 529 H LYS A1021 17.676 -11.608 -1.802 1.00 0.00 H ATOM 530 N SER A1022 18.139 -10.584 1.282 1.00 59.83 N ATOM 531 CA SER A1022 17.886 -10.191 2.665 1.00 58.30 C ATOM 532 C SER A1022 18.062 -11.384 3.589 1.00 60.41 C ATOM 533 O SER A1022 18.016 -12.539 3.145 1.00 58.81 O ATOM 534 CB SER A1022 16.463 -9.662 2.820 1.00 59.21 C ATOM 535 OG SER A1022 16.192 -8.532 2.008 1.00 63.40 O ATOM 536 HG SER A1022 16.811 -7.798 2.249 1.00 0.00 H ATOM 537 H SER A1022 17.326 -10.811 0.675 1.00 0.00 H ATOM 538 N ALA A1023 18.274 -11.097 4.877 1.00 57.22 N ATOM 539 CA ALA A1023 18.372 -12.143 5.894 1.00 56.85 C ATOM 540 C ALA A1023 16.949 -12.444 6.324 1.00 55.81 C ATOM 541 O ALA A1023 16.104 -11.545 6.318 1.00 53.53 O ATOM 542 CB ALA A1023 19.178 -11.660 7.080 1.00 58.69 C ATOM 543 H ALA A1023 18.372 -10.102 5.164 1.00 0.00 H ATOM 544 N ILE A1024 16.671 -13.709 6.646 1.00 50.16 N ATOM 545 CA ILE A1024 15.345 -14.100 7.087 1.00 47.09 C ATOM 546 C ILE A1024 15.435 -14.315 8.582 1.00 51.44 C ATOM 547 O ILE A1024 16.244 -15.095 9.067 1.00 53.10 O ATOM 548 CB ILE A1024 14.742 -15.291 6.259 1.00 49.16 C ATOM 549 CG1 ILE A1024 14.724 -15.012 4.714 1.00 47.54 C ATOM 550 CG2 ILE A1024 13.369 -15.748 6.766 1.00 47.54 C ATOM 551 CD1 ILE A1024 14.061 -13.698 4.180 1.00 52.80 C ATOM 552 H ILE A1024 17.419 -14.428 6.580 1.00 0.00 H ATOM 553 N SER A1025 14.645 -13.560 9.314 1.00 48.04 N ATOM 554 CA SER A1025 14.627 -13.610 10.768 1.00 47.71 C ATOM 555 C SER A1025 13.495 -14.473 11.244 1.00 52.46 C ATOM 556 O SER A1025 12.410 -14.417 10.675 1.00 54.71 O ATOM 557 CB SER A1025 14.467 -12.210 11.334 1.00 47.32 C ATOM 558 OG SER A1025 14.534 -12.225 12.741 1.00 57.32 O ATOM 559 HG SER A1025 14.427 -11.303 13.085 1.00 0.00 H ATOM 560 H SER A1025 14.004 -12.898 8.832 1.00 0.00 H ATOM 561 N ASN A1026 13.743 -15.279 12.266 1.00 48.90 N ATOM 562 CA ASN A1026 12.742 -16.141 12.868 1.00 50.01 C ATOM 563 C ASN A1026 12.021 -15.427 14.020 1.00 55.82 C ATOM 564 O ASN A1026 11.009 -15.909 14.530 1.00 56.33 O ATOM 565 CB ASN A1026 13.351 -17.465 13.312 1.00 54.17 C ATOM 566 CG ASN A1026 14.569 -17.408 14.202 1.00 82.06 C ATOM 567 OD1 ASN A1026 14.575 -16.795 15.281 1.00 70.10 O ATOM 568 ND2 ASN A1026 15.614 -18.103 13.779 1.00 84.33 N ATOM 569 HD22 ASN A1026 15.571 -18.604 12.869 1.00 0.00 H ATOM 570 HD21 ASN A1026 16.477 -18.148 14.357 1.00 0.00 H ATOM 571 H ASN A1026 14.706 -15.295 12.658 1.00 0.00 H ATOM 572 N ASN A1027 12.550 -14.283 14.421 1.00 53.88 N ATOM 573 CA ASN A1027 11.991 -13.452 15.484 1.00 54.81 C ATOM 574 C ASN A1027 11.588 -12.113 14.863 1.00 55.39 C ATOM 575 O ASN A1027 12.469 -11.365 14.432 1.00 56.04 O ATOM 576 CB ASN A1027 13.040 -13.275 16.613 1.00 54.34 C ATOM 577 CG ASN A1027 12.575 -12.518 17.820 1.00 63.88 C ATOM 578 OD1 ASN A1027 11.474 -11.959 17.858 1.00 61.62 O ATOM 579 ND2 ASN A1027 13.413 -12.495 18.841 1.00 61.58 N ATOM 580 HD22 ASN A1027 14.331 -12.978 18.771 1.00 0.00 H ATOM 581 HD21 ASN A1027 13.154 -11.994 19.715 1.00 0.00 H ATOM 582 H ASN A1027 13.417 -13.955 13.950 1.00 0.00 H ATOM 583 N PHE A1028 10.276 -11.817 14.821 1.00 49.05 N ATOM 584 CA PHE A1028 9.790 -10.567 14.235 1.00 48.16 C ATOM 585 C PHE A1028 10.194 -9.321 15.049 1.00 54.83 C ATOM 586 O PHE A1028 10.166 -8.208 14.513 1.00 55.49 O ATOM 587 CB PHE A1028 8.276 -10.580 13.928 1.00 48.80 C ATOM 588 CG PHE A1028 7.327 -10.755 15.095 1.00 51.76 C ATOM 589 CD1 PHE A1028 7.093 -9.711 15.993 1.00 55.88 C ATOM 590 CD2 PHE A1028 6.598 -11.927 15.250 1.00 54.83 C ATOM 591 CE1 PHE A1028 6.201 -9.868 17.070 1.00 57.62 C ATOM 592 CE2 PHE A1028 5.705 -12.081 16.318 1.00 58.78 C ATOM 593 CZ PHE A1028 5.520 -11.054 17.222 1.00 57.43 C ATOM 594 H PHE A1028 9.591 -12.493 15.215 1.00 0.00 H ATOM 595 N ARG A1029 10.577 -9.514 16.329 1.00 52.00 N ATOM 596 CA ARG A1029 11.023 -8.443 17.225 1.00 52.72 C ATOM 597 C ARG A1029 12.473 -8.080 16.923 1.00 58.44 C ATOM 598 O ARG A1029 12.958 -7.044 17.389 1.00 59.43 O ATOM 599 CB ARG A1029 10.843 -8.843 18.688 1.00 52.12 C ATOM 600 CG ARG A1029 9.394 -9.064 19.066 1.00 57.79 C ATOM 601 CD ARG A1029 9.210 -9.600 20.470 1.00 60.04 C ATOM 602 NE ARG A1029 7.827 -9.439 20.916 1.00 75.55 N ATOM 603 CZ ARG A1029 7.394 -8.401 21.628 1.00 96.16 C ATOM 604 NH1 ARG A1029 8.239 -7.449 22.007 1.00 78.10 N ATOM 605 NH2 ARG A1029 6.117 -8.316 21.980 1.00 88.11 N ATOM 606 HE ARG A1029 7.141 -10.179 20.662 1.00 0.00 H ATOM 607 HH12 ARG A1029 7.896 -6.640 22.563 1.00 0.00 H ATOM 608 HH11 ARG A1029 9.244 -7.512 21.748 1.00 0.00 H ATOM 609 HH22 ARG A1029 5.784 -7.503 22.536 1.00 0.00 H ATOM 610 HH21 ARG A1029 5.449 -9.063 21.699 1.00 0.00 H ATOM 611 H ARG A1029 10.554 -10.484 16.703 1.00 0.00 H ATOM 612 N GLU A1030 13.155 -8.938 16.113 1.00 55.15 N ATOM 613 CA GLU A1030 14.534 -8.783 15.647 1.00 55.10 C ATOM 614 C GLU A1030 14.594 -8.754 14.113 1.00 58.33 C ATOM 615 O GLU A1030 15.386 -9.490 13.541 1.00 61.90 O ATOM 616 CB GLU A1030 15.447 -9.891 16.233 1.00 57.53 C ATOM 617 CG GLU A1030 15.636 -9.772 17.739 1.00 57.52 C ATOM 618 CD GLU A1030 16.537 -10.745 18.458 1.00 77.03 C ATOM 619 OE1 GLU A1030 16.687 -10.583 19.687 1.00 74.86 O ATOM 620 OE2 GLU A1030 17.120 -11.641 17.812 1.00 84.33 O ATOM 621 H GLU A1030 12.645 -9.787 15.794 1.00 0.00 H ATOM 622 N SER A1031 13.720 -7.976 13.441 1.00 51.26 N ATOM 623 CA SER A1031 13.728 -7.801 11.981 1.00 49.09 C ATOM 624 C SER A1031 13.297 -6.391 11.600 1.00 53.68 C ATOM 625 O SER A1031 12.607 -5.735 12.382 1.00 53.59 O ATOM 626 CB SER A1031 12.922 -8.871 11.252 1.00 49.25 C ATOM 627 OG SER A1031 11.640 -9.057 11.811 1.00 56.46 O ATOM 628 HG SER A1031 11.159 -9.759 11.304 1.00 0.00 H ATOM 629 H SER A1031 12.996 -7.469 13.989 1.00 0.00 H ATOM 630 N ASP A1032 13.745 -5.913 10.431 1.00 51.21 N ATOM 631 CA ASP A1032 13.488 -4.560 9.940 1.00 52.63 C ATOM 632 C ASP A1032 12.172 -4.427 9.207 1.00 54.74 C ATOM 633 O ASP A1032 11.559 -3.350 9.247 1.00 55.77 O ATOM 634 CB ASP A1032 14.652 -4.074 9.050 1.00 56.70 C ATOM 635 CG ASP A1032 15.987 -3.970 9.763 1.00 66.44 C ATOM 636 OD1 ASP A1032 16.120 -3.093 10.656 1.00 69.46 O ATOM 637 OD2 ASP A1032 16.881 -4.790 9.464 1.00 65.67 O ATOM 638 H ASP A1032 14.313 -6.547 9.833 1.00 0.00 H ATOM 639 N ILE A1033 11.755 -5.506 8.500 1.00 47.97 N ATOM 640 CA ILE A1033 10.493 -5.589 7.748 1.00 44.30 C ATOM 641 C ILE A1033 9.756 -6.855 8.179 1.00 44.34 C ATOM 642 O ILE A1033 10.327 -7.928 8.156 1.00 40.62 O ATOM 643 CB ILE A1033 10.712 -5.508 6.204 1.00 46.77 C ATOM 644 CG1 ILE A1033 11.357 -4.147 5.794 1.00 48.02 C ATOM 645 CG2 ILE A1033 9.396 -5.726 5.465 1.00 45.53 C ATOM 646 CD1 ILE A1033 11.964 -4.069 4.361 1.00 39.30 C ATOM 647 H ILE A1033 12.376 -6.340 8.488 1.00 0.00 H ATOM 648 N ILE A1034 8.474 -6.720 8.568 1.00 43.76 N ATOM 649 CA ILE A1034 7.587 -7.810 9.011 1.00 42.48 C ATOM 650 C ILE A1034 6.453 -8.010 7.980 1.00 42.57 C ATOM 651 O ILE A1034 5.653 -7.094 7.773 1.00 41.56 O ATOM 652 CB ILE A1034 7.060 -7.552 10.455 1.00 46.09 C ATOM 653 CG1 ILE A1034 8.201 -7.315 11.450 1.00 46.61 C ATOM 654 CG2 ILE A1034 6.118 -8.652 10.919 1.00 46.43 C ATOM 655 CD1 ILE A1034 7.800 -6.529 12.642 1.00 47.15 C ATOM 656 H ILE A1034 8.074 -5.760 8.555 1.00 0.00 H ATOM 657 N ILE A1035 6.409 -9.201 7.337 1.00 38.06 N ATOM 658 CA ILE A1035 5.412 -9.582 6.324 1.00 38.52 C ATOM 659 C ILE A1035 4.236 -10.257 7.045 1.00 43.60 C ATOM 660 O ILE A1035 4.416 -11.286 7.706 1.00 44.41 O ATOM 661 CB ILE A1035 5.976 -10.503 5.189 1.00 41.40 C ATOM 662 CG1 ILE A1035 7.377 -10.048 4.656 1.00 42.36 C ATOM 663 CG2 ILE A1035 4.963 -10.682 4.061 1.00 39.39 C ATOM 664 CD1 ILE A1035 7.512 -8.570 4.138 1.00 48.74 C ATOM 665 H ILE A1035 7.138 -9.902 7.578 1.00 0.00 H ATOM 666 N LEU A1036 3.033 -9.683 6.881 1.00 37.97 N ATOM 667 CA LEU A1036 1.835 -10.138 7.564 1.00 36.76 C ATOM 668 C LEU A1036 0.883 -10.897 6.653 1.00 41.48 C ATOM 669 O LEU A1036 0.884 -10.671 5.440 1.00 42.55 O ATOM 670 CB LEU A1036 1.108 -8.918 8.203 1.00 36.41 C ATOM 671 CG LEU A1036 1.908 -7.929 9.074 1.00 37.96 C ATOM 672 CD1 LEU A1036 1.156 -6.641 9.244 1.00 37.66 C ATOM 673 CD2 LEU A1036 2.200 -8.499 10.415 1.00 37.97 C ATOM 674 H LEU A1036 2.956 -8.873 6.233 1.00 0.00 H ATOM 675 N LYS A1037 0.026 -11.756 7.246 1.00 38.91 N ATOM 676 CA LYS A1037 -1.005 -12.517 6.509 1.00 40.39 C ATOM 677 C LYS A1037 -2.303 -11.694 6.323 1.00 47.28 C ATOM 678 O LYS A1037 -3.356 -12.242 6.020 1.00 50.47 O ATOM 679 CB LYS A1037 -1.255 -13.905 7.154 1.00 42.64 C ATOM 680 CG LYS A1037 -0.061 -14.840 6.935 1.00 46.28 C ATOM 681 CD LYS A1037 -0.176 -16.132 7.688 1.00 50.04 C ATOM 682 CE LYS A1037 0.838 -17.126 7.203 1.00 45.31 C ATOM 683 NZ LYS A1037 0.605 -18.466 7.805 1.00 51.24 N ATOM 684 HZ1 LYS A1037 0.675 -18.397 8.840 1.00 0.00 H ATOM 685 HZ2 LYS A1037 -0.343 -18.802 7.542 1.00 0.00 H ATOM 686 HZ3 LYS A1037 1.321 -19.133 7.452 1.00 0.00 H ATOM 687 H LYS A1037 0.095 -11.889 8.275 1.00 0.00 H ATOM 688 N GLY A1038 -2.185 -10.379 6.466 1.00 42.65 N ATOM 689 CA GLY A1038 -3.246 -9.384 6.343 1.00 42.19 C ATOM 690 C GLY A1038 -2.720 -8.038 6.793 1.00 46.04 C ATOM 691 O GLY A1038 -1.518 -7.878 6.968 1.00 45.92 O ATOM 692 H GLY A1038 -1.235 -10.020 6.690 1.00 0.00 H ATOM 693 N GLU A1039 -3.590 -7.070 6.977 1.00 44.72 N ATOM 694 CA GLU A1039 -3.290 -5.715 7.465 1.00 45.18 C ATOM 695 C GLU A1039 -3.167 -5.772 8.976 1.00 48.41 C ATOM 696 O GLU A1039 -3.862 -6.561 9.604 1.00 49.85 O ATOM 697 CB GLU A1039 -4.435 -4.743 7.067 1.00 48.82 C ATOM 698 CG GLU A1039 -4.583 -4.537 5.565 1.00 62.32 C ATOM 699 CD GLU A1039 -3.440 -3.845 4.849 1.00 91.70 C ATOM 700 OE1 GLU A1039 -2.892 -2.860 5.397 1.00 85.32 O ATOM 701 OE2 GLU A1039 -3.128 -4.263 3.710 1.00 99.09 O ATOM 702 H GLU A1039 -4.584 -7.282 6.757 1.00 0.00 H ATOM 703 N ILE A1040 -2.313 -4.938 9.571 1.00 45.33 N ATOM 704 CA ILE A1040 -2.104 -4.950 11.023 1.00 45.72 C ATOM 705 C ILE A1040 -3.399 -4.598 11.794 1.00 52.62 C ATOM 706 O ILE A1040 -3.650 -5.179 12.845 1.00 51.78 O ATOM 707 CB ILE A1040 -0.869 -4.096 11.459 1.00 48.00 C ATOM 708 CG1 ILE A1040 -0.419 -4.416 12.911 1.00 48.32 C ATOM 709 CG2 ILE A1040 -1.092 -2.587 11.243 1.00 48.84 C ATOM 710 CD1 ILE A1040 0.225 -5.769 13.145 1.00 46.12 C ATOM 711 H ILE A1040 -1.780 -4.260 8.989 1.00 0.00 H ATOM 712 N GLU A1041 -4.241 -3.715 11.233 1.00 52.57 N ATOM 713 CA GLU A1041 -5.521 -3.313 11.821 1.00 55.09 C ATOM 714 C GLU A1041 -6.535 -4.474 11.890 1.00 58.99 C ATOM 715 O GLU A1041 -7.502 -4.389 12.637 1.00 60.69 O ATOM 716 CB GLU A1041 -6.113 -2.085 11.096 1.00 58.77 C ATOM 717 CG GLU A1041 -5.989 -2.077 9.570 1.00 73.42 C ATOM 718 CD GLU A1041 -4.731 -1.449 8.985 1.00102.97 C ATOM 719 OE1 GLU A1041 -3.792 -1.137 9.751 1.00 90.73 O ATOM 720 OE2 GLU A1041 -4.681 -1.289 7.745 1.00111.59 O ATOM 721 H GLU A1041 -3.967 -3.290 10.324 1.00 0.00 H ATOM 722 N ASP A1042 -6.314 -5.544 11.116 1.00 55.13 N ATOM 723 CA ASP A1042 -7.163 -6.729 11.103 1.00 56.06 C ATOM 724 C ASP A1042 -6.746 -7.729 12.187 1.00 57.43 C ATOM 725 O ASP A1042 -7.531 -8.620 12.531 1.00 57.74 O ATOM 726 CB ASP A1042 -7.172 -7.398 9.716 1.00 58.07 C ATOM 727 CG ASP A1042 -7.741 -6.547 8.591 1.00 76.45 C ATOM 728 OD1 ASP A1042 -8.695 -5.754 8.855 1.00 77.87 O ATOM 729 OD2 ASP A1042 -7.260 -6.697 7.433 1.00 84.80 O ATOM 730 H ASP A1042 -5.487 -5.529 10.486 1.00 0.00 H ATOM 731 N TYR A1043 -5.512 -7.592 12.716 1.00 50.78 N ATOM 732 CA TYR A1043 -4.994 -8.453 13.783 1.00 48.62 C ATOM 733 C TYR A1043 -5.656 -8.173 15.127 1.00 53.51 C ATOM 734 O TYR A1043 -5.892 -6.994 15.442 1.00 52.45 O ATOM 735 CB TYR A1043 -3.473 -8.364 13.884 1.00 46.24 C ATOM 736 CG TYR A1043 -2.783 -9.234 12.867 1.00 42.87 C ATOM 737 CD1 TYR A1043 -2.443 -8.735 11.608 1.00 41.97 C ATOM 738 CD2 TYR A1043 -2.486 -10.566 13.146 1.00 43.17 C ATOM 739 CE1 TYR A1043 -1.790 -9.530 10.664 1.00 37.59 C ATOM 740 CE2 TYR A1043 -1.836 -11.372 12.204 1.00 42.98 C ATOM 741 CZ TYR A1043 -1.505 -10.852 10.959 1.00 45.37 C ATOM 742 OH TYR A1043 -0.882 -11.636 10.020 1.00 45.66 O ATOM 743 HH TYR A1043 -1.458 -12.412 9.805 1.00 0.00 H ATOM 744 H TYR A1043 -4.898 -6.838 12.348 1.00 0.00 H ATOM 745 N PRO A1044 -5.998 -9.245 15.906 1.00 52.27 N ATOM 746 CA PRO A1044 -6.649 -9.031 17.220 1.00 55.02 C ATOM 747 C PRO A1044 -5.703 -8.486 18.302 1.00 63.54 C ATOM 748 O PRO A1044 -4.493 -8.667 18.160 1.00 62.98 O ATOM 749 CB PRO A1044 -7.179 -10.422 17.578 1.00 57.56 C ATOM 750 CG PRO A1044 -6.252 -11.357 16.896 1.00 60.40 C ATOM 751 CD PRO A1044 -5.759 -10.684 15.650 1.00 52.74 C HETATM 752 N MSE A1045 -6.240 -7.839 19.369 1.00 64.02 N HETATM 753 CA MSE A1045 -5.460 -7.278 20.499 1.00 65.56 C HETATM 754 C MSE A1045 -4.617 -8.350 21.206 1.00 69.27 C HETATM 755 O MSE A1045 -3.503 -8.067 21.651 1.00 68.31 O HETATM 756 CB MSE A1045 -6.371 -6.598 21.538 1.00 71.36 C HETATM 757 CG MSE A1045 -7.137 -5.385 21.016 1.00 79.90 C HETATM 758 SE MSE A1045 -6.352 -3.654 21.473 1.00 90.07 S HETATM 759 CE MSE A1045 -5.528 -3.271 19.715 1.00 82.39 C HETATM 760 H MSE A1045 -7.274 -7.729 19.395 1.00 0.00 H ATOM 761 N SER A1046 -5.160 -9.579 21.292 1.00 66.44 N ATOM 762 CA SER A1046 -4.533 -10.738 21.934 1.00 66.82 C ATOM 763 C SER A1046 -3.312 -11.288 21.190 1.00 68.16 C ATOM 764 O SER A1046 -2.482 -11.970 21.801 1.00 68.10 O ATOM 765 CB SER A1046 -5.569 -11.838 22.129 1.00 72.62 C ATOM 766 OG SER A1046 -6.181 -12.199 20.902 1.00 85.62 O ATOM 767 HG SER A1046 -6.847 -12.914 21.064 1.00 0.00 H ATOM 768 H SER A1046 -6.100 -9.717 20.869 1.00 0.00 H ATOM 769 N SER A1047 -3.207 -11.003 19.878 1.00 63.15 N ATOM 770 CA SER A1047 -2.100 -11.452 19.044 1.00 60.50 C ATOM 771 C SER A1047 -0.786 -10.745 19.425 1.00 65.60 C ATOM 772 O SER A1047 -0.769 -9.526 19.627 1.00 65.36 O ATOM 773 CB SER A1047 -2.439 -11.321 17.558 1.00 60.28 C ATOM 774 OG SER A1047 -2.065 -10.079 16.989 1.00 66.33 O ATOM 775 HG SER A1047 -2.534 -9.346 17.462 1.00 0.00 H ATOM 776 H SER A1047 -3.956 -10.432 19.437 1.00 0.00 H ATOM 777 N GLU A1048 0.299 -11.532 19.561 1.00 62.67 N ATOM 778 CA GLU A1048 1.629 -11.065 19.948 1.00 62.05 C ATOM 779 C GLU A1048 2.183 -10.058 18.942 1.00 64.81 C ATOM 780 O GLU A1048 2.900 -9.125 19.324 1.00 65.35 O ATOM 781 CB GLU A1048 2.597 -12.257 20.157 1.00 63.52 C ATOM 782 CG GLU A1048 2.246 -13.202 21.304 1.00 73.85 C ATOM 783 CD GLU A1048 2.123 -12.625 22.707 1.00111.44 C ATOM 784 OE1 GLU A1048 1.127 -12.950 23.397 1.00106.45 O ATOM 785 OE2 GLU A1048 3.033 -11.876 23.132 1.00114.59 O ATOM 786 H GLU A1048 0.181 -12.549 19.377 1.00 0.00 H ATOM 787 N ILE A1049 1.823 -10.228 17.667 1.00 60.59 N ATOM 788 CA ILE A1049 2.281 -9.342 16.602 1.00 59.19 C ATOM 789 C ILE A1049 1.663 -7.932 16.752 1.00 61.69 C ATOM 790 O ILE A1049 2.370 -6.945 16.551 1.00 62.00 O ATOM 791 CB ILE A1049 2.125 -9.971 15.180 1.00 61.76 C ATOM 792 CG1 ILE A1049 2.589 -9.018 14.078 1.00 61.79 C ATOM 793 CG2 ILE A1049 0.747 -10.521 14.886 1.00 63.74 C ATOM 794 CD1 ILE A1049 4.064 -8.803 14.103 1.00 71.90 C ATOM 795 H ILE A1049 1.194 -11.020 17.425 1.00 0.00 H ATOM 796 N LYS A1050 0.389 -7.852 17.175 1.00 56.65 N ATOM 797 CA LYS A1050 -0.330 -6.599 17.406 1.00 55.79 C ATOM 798 C LYS A1050 0.083 -5.978 18.746 1.00 61.25 C ATOM 799 O LYS A1050 0.183 -4.753 18.824 1.00 62.41 O ATOM 800 CB LYS A1050 -1.852 -6.802 17.298 1.00 56.59 C ATOM 801 CG LYS A1050 -2.687 -5.523 17.309 1.00 51.97 C ATOM 802 CD LYS A1050 -2.756 -4.813 15.994 1.00 51.61 C ATOM 803 CE LYS A1050 -3.939 -3.882 15.970 1.00 70.94 C ATOM 804 NZ LYS A1050 -3.546 -2.454 15.920 1.00 88.17 N ATOM 805 HZ1 LYS A1050 -2.976 -2.223 16.759 1.00 0.00 H ATOM 806 HZ2 LYS A1050 -2.987 -2.280 15.061 1.00 0.00 H ATOM 807 HZ3 LYS A1050 -4.400 -1.861 15.905 1.00 0.00 H ATOM 808 H LYS A1050 -0.120 -8.742 17.350 1.00 0.00 H ATOM 809 N ILE A1051 0.355 -6.811 19.784 1.00 57.31 N ATOM 810 CA ILE A1051 0.866 -6.355 21.087 1.00 59.44 C ATOM 811 C ILE A1051 2.239 -5.645 20.839 1.00 63.20 C ATOM 812 O ILE A1051 2.467 -4.556 21.359 1.00 66.19 O ATOM 813 CB ILE A1051 0.985 -7.542 22.108 1.00 63.53 C ATOM 814 CG1 ILE A1051 -0.391 -8.031 22.591 1.00 64.27 C ATOM 815 CG2 ILE A1051 1.886 -7.179 23.294 1.00 66.09 C ATOM 816 CD1 ILE A1051 -0.420 -9.428 23.251 1.00 62.26 C ATOM 817 H ILE A1051 0.193 -7.830 19.650 1.00 0.00 H ATOM 818 N TYR A1052 3.101 -6.245 19.992 1.00 55.58 N ATOM 819 CA TYR A1052 4.392 -5.679 19.613 1.00 54.07 C ATOM 820 C TYR A1052 4.234 -4.372 18.826 1.00 58.48 C ATOM 821 O TYR A1052 4.907 -3.397 19.109 1.00 59.71 O ATOM 822 CB TYR A1052 5.244 -6.707 18.857 1.00 52.36 C ATOM 823 CG TYR A1052 6.588 -6.163 18.412 1.00 54.61 C ATOM 824 CD1 TYR A1052 7.508 -5.668 19.339 1.00 59.97 C ATOM 825 CD2 TYR A1052 6.948 -6.146 17.067 1.00 51.79 C ATOM 826 CE1 TYR A1052 8.753 -5.182 18.936 1.00 60.91 C ATOM 827 CE2 TYR A1052 8.180 -5.635 16.653 1.00 51.77 C ATOM 828 CZ TYR A1052 9.082 -5.167 17.591 1.00 58.58 C ATOM 829 OH TYR A1052 10.296 -4.669 17.200 1.00 57.29 O ATOM 830 HH TYR A1052 10.807 -4.383 17.998 1.00 0.00 H ATOM 831 H TYR A1052 2.830 -7.163 19.586 1.00 0.00 H ATOM 832 N TYR A1053 3.338 -4.351 17.863 1.00 55.73 N ATOM 833 CA TYR A1053 3.026 -3.182 17.043 1.00 56.15 C ATOM 834 C TYR A1053 2.640 -1.982 17.911 1.00 65.29 C ATOM 835 O TYR A1053 3.191 -0.894 17.728 1.00 65.22 O ATOM 836 CB TYR A1053 1.894 -3.516 16.060 1.00 54.92 C ATOM 837 CG TYR A1053 1.480 -2.356 15.183 1.00 56.26 C ATOM 838 CD1 TYR A1053 2.247 -1.981 14.082 1.00 57.18 C ATOM 839 CD2 TYR A1053 0.284 -1.676 15.409 1.00 58.58 C ATOM 840 CE1 TYR A1053 1.860 -0.924 13.257 1.00 59.20 C ATOM 841 CE2 TYR A1053 -0.109 -0.609 14.599 1.00 60.20 C ATOM 842 CZ TYR A1053 0.682 -0.239 13.519 1.00 67.66 C ATOM 843 OH TYR A1053 0.323 0.811 12.708 1.00 68.52 O ATOM 844 HH TYR A1053 1.003 0.925 11.998 1.00 0.00 H ATOM 845 H TYR A1053 2.814 -5.229 17.671 1.00 0.00 H ATOM 846 N ASN A1054 1.726 -2.217 18.883 1.00 65.08 N ATOM 847 CA ASN A1054 1.176 -1.240 19.823 1.00 68.29 C ATOM 848 C ASN A1054 2.221 -0.605 20.721 1.00 75.18 C ATOM 849 O ASN A1054 2.061 0.558 21.089 1.00 77.84 O ATOM 850 CB ASN A1054 0.029 -1.862 20.639 1.00 69.86 C ATOM 851 CG ASN A1054 -1.217 -2.189 19.819 1.00 73.97 C ATOM 852 OD1 ASN A1054 -1.463 -1.614 18.744 1.00 69.98 O ATOM 853 ND2 ASN A1054 -2.032 -3.139 20.301 1.00 52.36 N ATOM 854 HD22 ASN A1054 -1.808 -3.608 21.202 1.00 0.00 H ATOM 855 HD21 ASN A1054 -2.888 -3.407 19.774 1.00 0.00 H ATOM 856 H ASN A1054 1.379 -3.194 18.970 1.00 0.00 H ATOM 857 N GLU A1055 3.298 -1.349 21.046 1.00 71.90 N ATOM 858 CA GLU A1055 4.427 -0.892 21.857 1.00 73.85 C ATOM 859 C GLU A1055 5.213 0.145 21.078 1.00 80.97 C ATOM 860 O GLU A1055 5.561 1.185 21.625 1.00 84.33 O ATOM 861 CB GLU A1055 5.379 -2.055 22.152 1.00 73.85 C ATOM 862 CG GLU A1055 4.890 -3.109 23.129 1.00 82.46 C ATOM 863 CD GLU A1055 5.838 -4.291 23.248 1.00 92.43 C ATOM 864 OE1 GLU A1055 7.013 -4.159 22.828 1.00 73.83 O ATOM 865 OE2 GLU A1055 5.404 -5.351 23.760 1.00 84.22 O ATOM 866 H GLU A1055 3.329 -2.326 20.692 1.00 0.00 H ATOM 867 N LEU A1056 5.501 -0.149 19.800 1.00 77.93 N ATOM 868 CA LEU A1056 6.274 0.709 18.894 1.00 79.58 C ATOM 869 C LEU A1056 5.572 2.036 18.554 1.00 89.67 C ATOM 870 O LEU A1056 6.208 2.962 18.037 1.00 90.64 O ATOM 871 CB LEU A1056 6.691 -0.056 17.611 1.00 76.10 C ATOM 872 CG LEU A1056 7.598 -1.307 17.750 1.00 78.50 C ATOM 873 CD1 LEU A1056 8.090 -1.765 16.395 1.00 75.44 C ATOM 874 CD2 LEU A1056 8.772 -1.080 18.713 1.00 82.66 C ATOM 875 H LEU A1056 5.150 -1.053 19.424 1.00 0.00 H ATOM 876 N GLN A1057 4.277 2.140 18.878 1.00 90.40 N ATOM 877 CA GLN A1057 3.490 3.362 18.701 1.00 94.14 C ATOM 878 C GLN A1057 3.682 4.160 19.979 1.00106.70 C ATOM 879 O GLN A1057 4.083 5.322 19.913 1.00109.79 O ATOM 880 CB GLN A1057 1.988 3.061 18.475 1.00 94.19 C ATOM 881 CG GLN A1057 1.660 1.974 17.443 1.00 94.95 C ATOM 882 CD GLN A1057 2.264 2.214 16.081 1.00102.63 C ATOM 883 OE1 GLN A1057 1.795 3.061 15.313 1.00 93.93 O ATOM 884 NE2 GLN A1057 3.308 1.450 15.746 1.00 91.24 N ATOM 885 HE22 GLN A1057 3.675 0.747 16.419 1.00 0.00 H ATOM 886 HE21 GLN A1057 3.753 1.558 14.812 1.00 0.00 H ATOM 887 H GLN A1057 3.803 1.305 19.278 1.00 0.00 H ATOM 888 N ASN A1058 3.481 3.489 21.148 1.00106.70 N ATOM 889 CA ASN A1058 3.615 4.014 22.515 1.00111.60 C ATOM 890 C ASN A1058 5.079 4.055 23.036 1.00119.13 C ATOM 891 O ASN A1058 5.312 4.019 24.252 1.00121.78 O ATOM 892 CB ASN A1058 2.692 3.244 23.472 1.00112.09 C ATOM 893 CG ASN A1058 1.249 3.690 23.404 1.00131.23 C ATOM 894 OD1 ASN A1058 0.767 4.411 24.281 1.00125.73 O ATOM 895 ND2 ASN A1058 0.526 3.279 22.361 1.00119.15 N ATOM 896 HD22 ASN A1058 0.958 2.671 21.636 1.00 0.00 H ATOM 897 HD21 ASN A1058 -0.470 3.566 22.273 1.00 0.00 H ATOM 898 H ASN A1058 3.201 2.491 21.064 1.00 0.00 H ATOM 899 N LYS A1059 6.048 4.165 22.094 1.00115.46 N ATOM 900 CA LYS A1059 7.501 4.299 22.291 1.00117.24 C ATOM 901 C LYS A1059 8.184 4.784 20.981 1.00121.43 C ATOM 902 O LYS A1059 7.814 4.306 19.909 1.00117.08 O ATOM 903 CB LYS A1059 8.158 3.034 22.900 1.00117.87 C ATOM 904 CG LYS A1059 8.526 3.236 24.386 1.00126.13 C ATOM 905 CD LYS A1059 8.870 1.946 25.145 1.00125.12 C ATOM 906 CE LYS A1059 9.338 2.203 26.570 1.00125.45 C ATOM 907 NZ LYS A1059 8.220 2.484 27.517 1.00123.98 N ATOM 908 HZ1 LYS A1059 7.702 3.328 27.200 1.00 0.00 H ATOM 909 HZ2 LYS A1059 7.574 1.669 27.541 1.00 0.00 H ATOM 910 HZ3 LYS A1059 8.606 2.650 28.468 1.00 0.00 H ATOM 911 H LYS A1059 5.723 4.153 21.106 1.00 0.00 H ATOM 912 N PRO A1060 9.112 5.784 21.037 1.00123.19 N ATOM 913 CA PRO A1060 9.715 6.314 19.788 1.00127.15 C ATOM 914 C PRO A1060 10.419 5.290 18.892 1.00141.08 C ATOM 915 O PRO A1060 10.027 5.093 17.741 1.00 90.37 O ATOM 916 CB PRO A1060 10.689 7.391 20.290 1.00133.24 C ATOM 917 CG PRO A1060 10.188 7.769 21.659 1.00139.72 C ATOM 918 CD PRO A1060 9.627 6.501 22.228 1.00131.19 C TER 919 PRO A1060 ATOM 920 N LYS A1064 11.732 0.493 15.540 1.00 75.31 N ATOM 921 CA LYS A1064 11.440 1.289 14.339 1.00 75.32 C ATOM 922 C LYS A1064 11.055 0.431 13.081 1.00 75.49 C ATOM 923 O LYS A1064 11.104 0.930 11.946 1.00 75.43 O ATOM 924 CB LYS A1064 12.611 2.252 14.033 1.00 80.57 C ATOM 925 CG LYS A1064 12.731 3.410 15.021 1.00 96.48 C ATOM 926 CD LYS A1064 13.865 3.200 16.024 1.00105.61 C ATOM 927 CE LYS A1064 13.806 4.144 17.205 1.00114.68 C ATOM 928 NZ LYS A1064 14.056 5.562 16.825 1.00122.59 N ATOM 929 HZ1 LYS A1064 15.001 5.644 16.399 1.00 0.00 H ATOM 930 HZ2 LYS A1064 13.338 5.867 16.138 1.00 0.00 H ATOM 931 HZ3 LYS A1064 14.003 6.161 17.673 1.00 0.00 H ATOM 932 HN3 LYS A1064 12.531 -0.144 15.346 1.00 0.00 H ATOM 933 HN2 LYS A1064 10.894 -0.068 15.795 1.00 0.00 H ATOM 934 HN1 LYS A1064 11.977 1.129 16.325 1.00 0.00 H ATOM 935 N ALA A1065 10.618 -0.833 13.318 1.00 67.64 N ATOM 936 CA ALA A1065 10.244 -1.890 12.368 1.00 62.86 C ATOM 937 C ALA A1065 9.102 -1.551 11.416 1.00 63.49 C ATOM 938 O ALA A1065 8.231 -0.742 11.757 1.00 64.88 O ATOM 939 CB ALA A1065 9.901 -3.147 13.137 1.00 62.34 C ATOM 940 H ALA A1065 10.536 -1.091 14.322 1.00 0.00 H ATOM 941 N ARG A1066 9.081 -2.217 10.237 1.00 55.21 N ATOM 942 CA ARG A1066 8.047 -2.025 9.212 1.00 53.10 C ATOM 943 C ARG A1066 7.079 -3.183 9.218 1.00 54.38 C ATOM 944 O ARG A1066 7.482 -4.331 9.383 1.00 51.40 O ATOM 945 CB ARG A1066 8.642 -1.840 7.805 1.00 51.06 C ATOM 946 CG ARG A1066 9.570 -0.633 7.663 1.00 51.73 C ATOM 947 CD ARG A1066 10.177 -0.534 6.270 1.00 47.73 C ATOM 948 NE ARG A1066 9.829 0.758 5.688 1.00 56.13 N ATOM 949 CZ ARG A1066 10.690 1.716 5.356 1.00 73.34 C ATOM 950 NH1 ARG A1066 11.998 1.521 5.484 1.00 64.64 N ATOM 951 NH2 ARG A1066 10.253 2.867 4.872 1.00 64.67 N ATOM 952 HE ARG A1066 8.820 0.946 5.518 1.00 0.00 H ATOM 953 HH12 ARG A1066 12.664 2.275 5.222 1.00 0.00 H ATOM 954 HH11 ARG A1066 12.356 0.614 5.846 1.00 0.00 H ATOM 955 HH22 ARG A1066 10.930 3.613 4.614 1.00 0.00 H ATOM 956 HH21 ARG A1066 9.232 3.026 4.750 1.00 0.00 H ATOM 957 H ARG A1066 9.839 -2.903 10.047 1.00 0.00 H ATOM 958 N PHE A1067 5.786 -2.877 9.061 1.00 51.32 N ATOM 959 CA PHE A1067 4.727 -3.880 9.082 1.00 48.61 C ATOM 960 C PHE A1067 3.975 -3.810 7.762 1.00 50.94 C ATOM 961 O PHE A1067 3.136 -2.935 7.590 1.00 52.95 O ATOM 962 CB PHE A1067 3.773 -3.636 10.282 1.00 50.16 C ATOM 963 CG PHE A1067 4.334 -3.960 11.645 1.00 50.95 C ATOM 964 CD1 PHE A1067 5.291 -3.144 12.235 1.00 54.88 C ATOM 965 CD2 PHE A1067 3.847 -5.034 12.375 1.00 52.73 C ATOM 966 CE1 PHE A1067 5.802 -3.436 13.508 1.00 56.27 C ATOM 967 CE2 PHE A1067 4.342 -5.311 13.659 1.00 55.92 C ATOM 968 CZ PHE A1067 5.307 -4.505 14.218 1.00 54.89 C ATOM 969 H PHE A1067 5.525 -1.881 8.918 1.00 0.00 H ATOM 970 N TRP A1068 4.300 -4.704 6.824 1.00 44.59 N ATOM 971 CA TRP A1068 3.644 -4.773 5.519 1.00 43.73 C ATOM 972 C TRP A1068 2.753 -6.005 5.426 1.00 45.59 C ATOM 973 O TRP A1068 3.181 -7.109 5.785 1.00 44.26 O ATOM 974 CB TRP A1068 4.692 -4.843 4.378 1.00 42.50 C ATOM 975 CG TRP A1068 5.706 -3.731 4.313 1.00 44.64 C ATOM 976 CD1 TRP A1068 5.662 -2.528 4.965 1.00 48.85 C ATOM 977 CD2 TRP A1068 6.858 -3.682 3.460 1.00 44.79 C ATOM 978 NE1 TRP A1068 6.731 -1.747 4.595 1.00 49.06 N ATOM 979 CE2 TRP A1068 7.469 -2.418 3.649 1.00 49.82 C ATOM 980 CE3 TRP A1068 7.428 -4.578 2.534 1.00 45.74 C ATOM 981 CZ2 TRP A1068 8.641 -2.038 2.969 1.00 50.02 C ATOM 982 CZ3 TRP A1068 8.607 -4.219 1.894 1.00 48.23 C ATOM 983 CH2 TRP A1068 9.197 -2.957 2.104 1.00 50.33 C ATOM 984 HE1 TRP A1068 6.947 -0.801 4.970 1.00 0.00 H ATOM 985 H TRP A1068 5.058 -5.385 7.032 1.00 0.00 H ATOM 986 N SER A1069 1.531 -5.827 4.909 1.00 43.54 N ATOM 987 CA SER A1069 0.605 -6.926 4.600 1.00 44.23 C ATOM 988 C SER A1069 1.194 -7.704 3.405 1.00 50.34 C ATOM 989 O SER A1069 2.064 -7.170 2.709 1.00 51.22 O ATOM 990 CB SER A1069 -0.772 -6.392 4.230 1.00 47.78 C ATOM 991 OG SER A1069 -0.775 -5.679 3.007 1.00 57.34 O ATOM 992 HG SER A1069 -1.691 -5.356 2.817 1.00 0.00 H ATOM 993 H SER A1069 1.219 -4.854 4.715 1.00 0.00 H ATOM 994 N PHE A1070 0.754 -8.949 3.165 1.00 47.25 N ATOM 995 CA PHE A1070 1.326 -9.707 2.051 1.00 47.48 C ATOM 996 C PHE A1070 1.042 -9.053 0.684 1.00 52.12 C ATOM 997 O PHE A1070 1.880 -9.175 -0.214 1.00 52.78 O ATOM 998 CB PHE A1070 0.929 -11.191 2.084 1.00 49.86 C ATOM 999 CG PHE A1070 -0.522 -11.465 1.789 1.00 52.86 C ATOM 1000 CD1 PHE A1070 -1.453 -11.520 2.812 1.00 57.51 C ATOM 1001 CD2 PHE A1070 -0.954 -11.683 0.488 1.00 57.17 C ATOM 1002 CE1 PHE A1070 -2.799 -11.756 2.535 1.00 60.85 C ATOM 1003 CE2 PHE A1070 -2.299 -11.896 0.206 1.00 61.74 C ATOM 1004 CZ PHE A1070 -3.214 -11.941 1.231 1.00 60.86 C ATOM 1005 H PHE A1070 0.015 -9.370 3.764 1.00 0.00 H HETATM 1006 N MSE A1071 -0.127 -8.374 0.538 1.00 49.64 N HETATM 1007 CA MSE A1071 -0.573 -7.677 -0.675 1.00 50.86 C HETATM 1008 C MSE A1071 0.342 -6.478 -0.945 1.00 53.99 C HETATM 1009 O MSE A1071 0.827 -6.333 -2.070 1.00 54.99 O HETATM 1010 CB MSE A1071 -2.046 -7.256 -0.548 1.00 54.93 C HETATM 1011 CG MSE A1071 -2.736 -6.974 -1.894 1.00 65.33 C HETATM 1012 SE MSE A1071 -3.497 -8.534 -2.832 1.00 75.99 S HETATM 1013 CE MSE A1071 -4.908 -9.019 -1.560 1.00 72.71 C HETATM 1014 H MSE A1071 -0.763 -8.346 1.360 1.00 0.00 H ATOM 1015 N LYS A1072 0.643 -5.670 0.104 1.00 48.91 N ATOM 1016 CA LYS A1072 1.571 -4.522 0.040 1.00 48.32 C ATOM 1017 C LYS A1072 2.984 -5.012 -0.383 1.00 53.27 C ATOM 1018 O LYS A1072 3.600 -4.423 -1.266 1.00 55.45 O ATOM 1019 CB LYS A1072 1.667 -3.813 1.406 1.00 48.31 C ATOM 1020 CG LYS A1072 2.636 -2.637 1.374 1.00 55.81 C ATOM 1021 CD LYS A1072 2.943 -2.064 2.736 1.00 62.08 C ATOM 1022 CE LYS A1072 3.067 -0.557 2.715 1.00 59.48 C ATOM 1023 NZ LYS A1072 3.993 -0.053 1.659 1.00 59.14 N ATOM 1024 HZ1 LYS A1072 4.944 -0.443 1.819 1.00 0.00 H ATOM 1025 HZ2 LYS A1072 3.647 -0.351 0.725 1.00 0.00 H ATOM 1026 HZ3 LYS A1072 4.031 0.985 1.700 1.00 0.00 H ATOM 1027 H LYS A1072 0.188 -5.874 1.017 1.00 0.00 H ATOM 1028 N THR A1073 3.461 -6.085 0.264 1.00 47.13 N ATOM 1029 CA THR A1073 4.734 -6.754 0.055 1.00 45.65 C ATOM 1030 C THR A1073 4.886 -7.258 -1.388 1.00 50.51 C ATOM 1031 O THR A1073 5.907 -6.991 -2.007 1.00 51.17 O ATOM 1032 CB THR A1073 4.859 -7.855 1.112 1.00 48.97 C ATOM 1033 OG1 THR A1073 4.856 -7.223 2.382 1.00 43.54 O ATOM 1034 CG2 THR A1073 6.106 -8.720 0.942 1.00 49.22 C ATOM 1035 HG1 THR A1073 4.009 -6.723 2.499 1.00 0.00 H ATOM 1036 H THR A1073 2.848 -6.486 1.002 1.00 0.00 H ATOM 1037 N GLN A1074 3.873 -7.970 -1.904 1.00 48.12 N ATOM 1038 CA GLN A1074 3.767 -8.535 -3.252 1.00 49.47 C ATOM 1039 C GLN A1074 3.957 -7.448 -4.324 1.00 55.08 C ATOM 1040 O GLN A1074 4.534 -7.724 -5.368 1.00 55.89 O ATOM 1041 CB GLN A1074 2.357 -9.118 -3.381 1.00 51.86 C ATOM 1042 CG GLN A1074 2.199 -10.280 -4.341 1.00 75.53 C ATOM 1043 CD GLN A1074 0.783 -10.832 -4.320 1.00 96.24 C ATOM 1044 OE1 GLN A1074 0.190 -11.124 -3.261 1.00 93.08 O ATOM 1045 NE2 GLN A1074 0.203 -10.978 -5.494 1.00 82.87 N ATOM 1046 HE22 GLN A1074 0.717 -10.728 -6.363 1.00 0.00 H ATOM 1047 HE21 GLN A1074 -0.769 -11.343 -5.552 1.00 0.00 H ATOM 1048 H GLN A1074 3.066 -8.142 -1.271 1.00 0.00 H ATOM 1049 N ARG A1075 3.422 -6.223 -4.068 1.00 52.89 N ATOM 1050 CA ARG A1075 3.488 -5.051 -4.946 1.00 53.43 C ATOM 1051 C ARG A1075 4.877 -4.442 -4.895 1.00 57.05 C ATOM 1052 O ARG A1075 5.417 -4.104 -5.962 1.00 60.64 O ATOM 1053 CB ARG A1075 2.342 -4.047 -4.631 1.00 52.30 C ATOM 1054 CG ARG A1075 2.547 -2.524 -4.893 1.00 65.33 C ATOM 1055 CD ARG A1075 2.894 -2.011 -6.307 1.00 73.60 C ATOM 1056 NE ARG A1075 2.155 -2.641 -7.402 1.00 77.99 N ATOM 1057 CZ ARG A1075 2.077 -2.167 -8.646 1.00 84.82 C ATOM 1058 NH1 ARG A1075 2.647 -1.007 -8.963 1.00 60.91 N ATOM 1059 NH2 ARG A1075 1.400 -2.833 -9.572 1.00 72.54 N ATOM 1060 HE ARG A1075 1.652 -3.527 -7.194 1.00 0.00 H ATOM 1061 HH12 ARG A1075 2.582 -0.644 -9.935 1.00 0.00 H ATOM 1062 HH11 ARG A1075 3.158 -0.463 -8.238 1.00 0.00 H ATOM 1063 HH22 ARG A1075 1.341 -2.461 -10.541 1.00 0.00 H ATOM 1064 HH21 ARG A1075 0.928 -3.727 -9.329 1.00 0.00 H ATOM 1065 H ARG A1075 2.919 -6.108 -3.165 1.00 0.00 H ATOM 1066 N PHE A1076 5.463 -4.322 -3.675 1.00 48.63 N ATOM 1067 CA PHE A1076 6.832 -3.810 -3.455 1.00 47.86 C ATOM 1068 C PHE A1076 7.864 -4.683 -4.208 1.00 51.66 C ATOM 1069 O PHE A1076 8.789 -4.161 -4.810 1.00 52.08 O ATOM 1070 CB PHE A1076 7.185 -3.723 -1.938 1.00 47.16 C ATOM 1071 CG PHE A1076 8.656 -3.475 -1.636 1.00 48.53 C ATOM 1072 CD1 PHE A1076 9.194 -2.194 -1.710 1.00 51.23 C ATOM 1073 CD2 PHE A1076 9.509 -4.533 -1.315 1.00 49.30 C ATOM 1074 CE1 PHE A1076 10.546 -1.977 -1.481 1.00 52.50 C ATOM 1075 CE2 PHE A1076 10.861 -4.311 -1.076 1.00 51.40 C ATOM 1076 CZ PHE A1076 11.374 -3.036 -1.174 1.00 51.05 C ATOM 1077 H PHE A1076 4.912 -4.609 -2.841 1.00 0.00 H ATOM 1078 N VAL A1077 7.694 -6.006 -4.142 1.00 47.54 N ATOM 1079 CA VAL A1077 8.546 -7.016 -4.749 1.00 47.68 C ATOM 1080 C VAL A1077 8.400 -6.980 -6.271 1.00 55.77 C ATOM 1081 O VAL A1077 9.369 -7.195 -6.991 1.00 57.66 O ATOM 1082 CB VAL A1077 8.229 -8.367 -4.059 1.00 50.17 C ATOM 1083 CG1 VAL A1077 8.135 -9.536 -5.024 1.00 52.15 C ATOM 1084 CG2 VAL A1077 9.194 -8.647 -2.916 1.00 48.19 C ATOM 1085 H VAL A1077 6.872 -6.347 -3.604 1.00 0.00 H ATOM 1086 N SER A1078 7.198 -6.641 -6.756 1.00 54.89 N ATOM 1087 CA SER A1078 6.894 -6.438 -8.172 1.00 56.37 C ATOM 1088 C SER A1078 7.696 -5.193 -8.636 1.00 62.25 C ATOM 1089 O SER A1078 8.364 -5.230 -9.674 1.00 63.90 O ATOM 1090 CB SER A1078 5.396 -6.239 -8.345 1.00 57.67 C ATOM 1091 OG SER A1078 5.073 -5.756 -9.635 1.00 71.73 O ATOM 1092 HG SER A1078 5.381 -6.406 -10.316 1.00 0.00 H ATOM 1093 H SER A1078 6.423 -6.513 -6.074 1.00 0.00 H ATOM 1094 N ASN A1079 7.691 -4.129 -7.795 1.00 58.18 N ATOM 1095 CA ASN A1079 8.429 -2.871 -7.980 1.00 59.07 C ATOM 1096 C ASN A1079 9.942 -3.049 -7.902 1.00 61.03 C ATOM 1097 O ASN A1079 10.664 -2.114 -8.253 1.00 63.20 O ATOM 1098 CB ASN A1079 7.990 -1.830 -6.941 1.00 57.39 C ATOM 1099 CG ASN A1079 6.646 -1.209 -7.213 1.00 66.36 C ATOM 1100 OD1 ASN A1079 6.155 -1.178 -8.353 1.00 61.85 O ATOM 1101 ND2 ASN A1079 6.041 -0.677 -6.169 1.00 49.55 N ATOM 1102 HD22 ASN A1079 6.486 -0.724 -5.230 1.00 0.00 H ATOM 1103 HD21 ASN A1079 5.119 -0.210 -6.284 1.00 0.00 H ATOM 1104 H ASN A1079 7.109 -4.211 -6.937 1.00 0.00 H HETATM 1105 N MSE A1080 10.415 -4.226 -7.393 1.00 53.27 N HETATM 1106 CA MSE A1080 11.828 -4.619 -7.272 1.00 51.62 C HETATM 1107 C MSE A1080 12.258 -5.399 -8.505 1.00 62.63 C HETATM 1108 O MSE A1080 13.440 -5.707 -8.660 1.00 63.96 O HETATM 1109 CB MSE A1080 12.070 -5.462 -6.008 1.00 49.47 C HETATM 1110 CG MSE A1080 12.029 -4.668 -4.726 1.00 53.12 C HETATM 1111 SE MSE A1080 13.182 -3.089 -4.643 1.00 61.87 S HETATM 1112 CE MSE A1080 11.954 -1.719 -4.866 1.00 59.41 C HETATM 1113 H MSE A1080 9.707 -4.911 -7.059 1.00 0.00 H ATOM 1114 N GLY A1081 11.280 -5.719 -9.354 1.00 63.38 N ATOM 1115 CA GLY A1081 11.448 -6.441 -10.612 1.00 66.34 C ATOM 1116 C GLY A1081 11.180 -7.930 -10.517 1.00 70.20 C ATOM 1117 O GLY A1081 11.669 -8.698 -11.362 1.00 71.02 O ATOM 1118 H GLY A1081 10.315 -5.429 -9.098 1.00 0.00 H ATOM 1119 N PHE A1082 10.403 -8.350 -9.479 1.00 64.11 N ATOM 1120 CA PHE A1082 10.075 -9.759 -9.228 1.00 63.60 C ATOM 1121 C PHE A1082 8.598 -9.978 -9.006 1.00 71.43 C ATOM 1122 O PHE A1082 8.048 -9.493 -8.031 1.00 69.43 O ATOM 1123 CB PHE A1082 10.900 -10.322 -8.059 1.00 62.96 C ATOM 1124 CG PHE A1082 12.384 -10.080 -8.190 1.00 65.30 C ATOM 1125 CD1 PHE A1082 13.170 -10.889 -9.006 1.00 69.84 C ATOM 1126 CD2 PHE A1082 12.992 -9.010 -7.538 1.00 66.50 C ATOM 1127 CE1 PHE A1082 14.541 -10.638 -9.159 1.00 71.52 C ATOM 1128 CE2 PHE A1082 14.353 -8.749 -7.711 1.00 69.81 C ATOM 1129 CZ PHE A1082 15.121 -9.575 -8.508 1.00 69.79 C ATOM 1130 H PHE A1082 10.022 -7.633 -8.829 1.00 0.00 H ATOM 1131 N ASP A1083 7.953 -10.737 -9.890 1.00 73.98 N ATOM 1132 CA ASP A1083 6.517 -10.970 -9.799 1.00 75.58 C ATOM 1133 C ASP A1083 6.190 -12.444 -9.518 1.00 82.00 C ATOM 1134 O ASP A1083 6.510 -13.314 -10.334 1.00 84.26 O ATOM 1135 CB ASP A1083 5.788 -10.452 -11.069 1.00 80.81 C ATOM 1136 CG ASP A1083 6.202 -9.068 -11.586 1.00 99.27 C ATOM 1137 OD1 ASP A1083 5.309 -8.210 -11.767 1.00101.67 O ATOM 1138 OD2 ASP A1083 7.404 -8.882 -11.913 1.00107.39 O ATOM 1139 H ASP A1083 8.488 -11.175 -10.666 1.00 0.00 H ATOM 1140 N ILE A1084 5.541 -12.706 -8.354 1.00 77.58 N ATOM 1141 CA ILE A1084 5.088 -14.028 -7.890 1.00 92.14 C ATOM 1142 C ILE A1084 4.206 -14.710 -8.937 1.00115.74 C ATOM 1143 O ILE A1084 4.255 -15.925 -9.073 1.00 85.94 O ATOM 1144 CB ILE A1084 4.368 -13.962 -6.510 1.00 92.68 C ATOM 1145 CG1 ILE A1084 3.252 -12.909 -6.472 1.00 92.80 C ATOM 1146 CG2 ILE A1084 5.326 -13.781 -5.364 1.00 90.39 C ATOM 1147 CD1 ILE A1084 1.859 -13.488 -6.650 1.00105.34 C ATOM 1148 H ILE A1084 5.345 -11.896 -7.731 1.00 0.00 H TER 1149 ILE A1084 HETATM 1150 O HOH 1 21.327 -4.416 9.223 1.00 49.11 O HETATM 1151 O HOH 2 10.492 -15.696 9.359 1.00 48.97 O HETATM 1152 O HOH 3 18.998 -6.457 -3.591 1.00 53.03 O HETATM 1153 O HOH 4 19.655 -14.409 2.100 1.00 55.71 O HETATM 1154 O HOH 5 0.207 -3.462 5.056 1.00 51.39 O HETATM 1155 O HOH 6 18.009 -9.191 12.907 1.00 52.96 O HETATM 1156 O HOH 7 -10.094 -8.974 11.697 1.00 52.50 O HETATM 1157 O HOH 8 18.766 -11.520 15.640 1.00 59.81 O HETATM 1158 O HOH 9 -7.320 -13.828 8.056 1.00 47.70 O HETATM 1159 O HOH 10 13.942 11.916 -7.682 1.00 59.37 O HETATM 1160 O HOH 11 -14.501 -19.570 8.726 1.00 60.01 O HETATM 1161 O HOH 12 13.576 -20.924 1.576 1.00 60.68 O HETATM 1162 O HOH 13 19.045 -15.651 6.571 1.00 44.70 O HETATM 1163 O HOH 14 -0.364 -3.280 7.672 1.00 65.49 O HETATM 1164 O HOH 15 -2.931 -18.557 12.567 1.00 65.86 O HETATM 1165 O HOH 16 3.755 -15.139 14.168 1.00 53.59 O HETATM 1166 O HOH 17 0.139 -20.603 13.091 1.00 56.68 O HETATM 1167 O HOH 18 -12.606 -23.514 0.739 1.00 67.21 O HETATM 1168 O HOH 19 0.007 -17.973 15.739 1.00 68.51 O HETATM 1169 O HOH 20 2.117 -22.364 12.084 1.00 50.17 O HETATM 1170 O HOH 21 -2.636 -18.889 15.989 1.00 57.00 O HETATM 1171 O HOH 22 6.293 1.236 7.837 1.00 46.88 O HETATM 1172 O HOH 23 5.985 -0.538 -3.363 1.00 49.08 O HETATM 1173 O HOH 24 14.370 -0.251 6.473 1.00 62.36 O HETATM 1174 O HOH 25 6.939 6.080 -9.873 1.00 50.56 O HETATM 1175 O HOH 26 5.514 5.190 1.486 1.00 51.23 O HETATM 1176 O HOH 27 3.886 -0.816 -1.850 1.00 57.31 O HETATM 1177 O HOH 28 0.266 1.587 0.044 1.00 63.20 O HETATM 1178 O HOH 29 0.697 10.645 -9.064 1.00 81.06 O HETATM 1179 N THR A 30 18.064 4.511 5.063 1.00 0.24 N HETATM 1180 CA THR A 30 17.595 3.166 5.410 1.00 0.09 C HETATM 1181 C THR A 30 16.063 3.184 5.604 1.00 0.23 C HETATM 1182 O THR A 30 15.417 2.137 5.477 1.00 -0.39 O HETATM 1183 N THR A 30 15.484 4.386 5.884 1.00 -0.26 N HETATM 1184 CA THR A 30 14.034 4.575 6.056 1.00 0.14 C HETATM 1185 C THR A 30 13.447 5.557 5.003 1.00 0.21 C HETATM 1186 O THR A 30 12.898 6.619 5.323 1.00 -0.39 O HETATM 1187 N THR A 30 13.581 5.143 3.726 1.00 -0.26 N HETATM 1188 CA THR A 30 13.034 5.778 2.530 1.00 0.13 C HETATM 1189 C THR A 30 11.645 5.154 2.272 1.00 0.21 C HETATM 1190 O THR A 30 11.426 4.050 2.751 1.00 -0.39 O HETATM 1191 N THR A 30 10.681 5.795 1.570 1.00 -0.25 N HETATM 1192 CA THR A 30 9.343 5.184 1.428 1.00 0.13 C HETATM 1193 C THR A 30 9.285 3.849 0.714 1.00 0.20 C HETATM 1194 O THR A 30 10.027 3.636 -0.244 1.00 -0.39 O HETATM 1195 N THR A 30 8.374 2.967 1.187 1.00 -0.26 N HETATM 1196 CA THR A 30 8.087 1.627 0.658 1.00 0.16 C HETATM 1197 CB THR A 30 7.023 0.957 1.513 1.00 0.12 C HETATM 1198 OG THR A 30 7.305 1.007 2.905 1.00 -0.27 O HETATM 1199 P THR A 30 6.381 1.902 3.764 1.00 0.20 P HETATM 1200 O1P THR A 30 4.934 1.951 3.356 1.00 -0.55 O HETATM 1201 O2P THR A 30 6.483 1.263 5.137 1.00 -0.55 O HETATM 1202 O3P THR A 30 6.892 3.358 3.701 1.00 -0.55 O HETATM 1203 H34 THR A 30 6.945 -0.098 1.210 1.00 0.07 H HETATM 1204 H35 THR A 30 6.062 1.462 1.333 1.00 0.07 H HETATM 1205 C THR A 30 7.363 1.763 -0.667 1.00 0.21 C HETATM 1206 O THR A 30 7.431 0.854 -1.500 1.00 -0.39 O HETATM 1207 N THR A 30 6.663 2.906 -0.853 1.00 -0.26 N HETATM 1208 CA THR A 30 5.906 3.232 -2.054 1.00 0.14 C HETATM 1209 C THR A 30 6.762 4.064 -3.017 1.00 0.21 C HETATM 1210 O THR A 30 7.471 4.975 -2.562 1.00 -0.39 O HETATM 1211 N THR A 30 6.711 3.765 -4.347 1.00 -0.25 N HETATM 1212 CA THR A 30 7.517 4.532 -5.321 1.00 0.13 C HETATM 1213 C THR A 30 7.179 6.015 -5.348 1.00 0.21 C HETATM 1214 O THR A 30 6.056 6.371 -4.977 1.00 -0.39 O HETATM 1215 N THR A 30 8.117 6.894 -5.784 1.00 -0.25 N HETATM 1216 CA THR A 30 7.807 8.344 -5.835 1.00 0.13 C HETATM 1217 C THR A 30 6.650 8.691 -6.788 1.00 0.20 C HETATM 1218 O THR A 30 6.525 8.082 -7.871 1.00 -0.39 O HETATM 1219 N THR A 30 5.780 9.628 -6.339 1.00 -0.27 N HETATM 1220 CA THR A 30 4.582 10.108 -7.041 1.00 0.12 C HETATM 1221 C THR A 30 4.866 11.339 -7.900 1.00 0.06 C HETATM 1222 O THR A 30 4.303 11.475 -8.986 1.00 -0.57 O HETATM 1223 OXT THR A 30 5.658 12.195 -7.506 1.00 -0.57 O HETATM 1224 CB THR A 30 3.462 10.399 -6.044 1.00 0.08 C HETATM 1225 OG THR A 30 3.944 10.969 -4.836 1.00 -0.39 O HETATM 1226 H58 THR A 30 3.214 11.131 -4.250 1.00 0.21 H HETATM 1227 H56 THR A 30 2.946 9.457 -5.808 1.00 0.06 H HETATM 1228 H57 THR A 30 2.752 11.100 -6.506 1.00 0.06 H HETATM 1229 H55 THR A 30 4.242 9.304 -7.711 1.00 0.07 H HETATM 1230 H54 THR A 30 5.972 10.031 -5.444 1.00 0.19 H HETATM 1231 CB THR A 30 9.131 8.973 -6.277 1.00 -0.01 C HETATM 1232 CG THR A 30 9.857 7.875 -6.988 1.00 -0.03 C HETATM 1233 CD THR A 30 9.485 6.619 -6.278 1.00 0.04 C HETATM 1234 H52 THR A 30 9.489 5.762 -6.967 1.00 0.05 H HETATM 1235 H53 THR A 30 10.172 6.421 -5.442 1.00 0.05 H HETATM 1236 H50 THR A 30 10.944 8.037 -6.936 1.00 0.03 H HETATM 1237 H51 THR A 30 9.543 7.827 -8.041 1.00 0.03 H HETATM 1238 H48 THR A 30 9.707 9.317 -5.405 1.00 0.03 H HETATM 1239 H49 THR A 30 8.950 9.820 -6.955 1.00 0.03 H HETATM 1240 H47 THR A 30 7.538 8.702 -4.830 1.00 0.08 H HETATM 1241 CB THR A 30 7.154 3.896 -6.660 1.00 -0.01 C HETATM 1242 CG THR A 30 6.633 2.576 -6.326 1.00 -0.03 C HETATM 1243 CD THR A 30 5.939 2.709 -5.023 1.00 0.04 C HETATM 1244 H45 THR A 30 4.891 3.012 -5.162 1.00 0.05 H HETATM 1245 H46 THR A 30 5.976 1.767 -4.457 1.00 0.05 H HETATM 1246 H43 THR A 30 7.458 1.853 -6.244 1.00 0.03 H HETATM 1247 H44 THR A 30 5.926 2.241 -7.099 1.00 0.03 H HETATM 1248 H41 THR A 30 8.044 3.809 -7.300 1.00 0.03 H HETATM 1249 H42 THR A 30 6.388 4.494 -7.176 1.00 0.03 H HETATM 1250 H40 THR A 30 8.589 4.413 -5.106 1.00 0.08 H HETATM 1251 CB THR A 30 4.608 3.972 -1.690 1.00 0.04 C HETATM 1252 CG THR A 30 3.665 3.153 -0.832 1.00 0.04 C HETATM 1253 OD1 THR A 30 3.152 2.121 -1.327 1.00 -0.57 O HETATM 1254 OD2 THR A 30 3.457 3.528 0.342 1.00 -0.57 O HETATM 1255 H38 THR A 30 4.087 4.240 -2.621 1.00 0.05 H HETATM 1256 H39 THR A 30 4.872 4.888 -1.141 1.00 0.05 H HETATM 1257 H37 THR A 30 5.636 2.292 -2.558 1.00 0.08 H HETATM 1258 H36 THR A 30 6.666 3.576 -0.111 1.00 0.19 H HETATM 1259 H33 THR A 30 9.006 1.028 0.580 1.00 0.08 H HETATM 1260 H32 THR A 30 7.840 3.258 1.980 1.00 0.19 H HETATM 1261 CB THR A 30 8.546 6.242 0.664 1.00 -0.01 C HETATM 1262 CG THR A 30 9.582 7.045 -0.056 1.00 -0.03 C HETATM 1263 CD THR A 30 10.713 7.123 0.932 1.00 0.04 C HETATM 1264 H30 THR A 30 11.673 7.295 0.423 1.00 0.05 H HETATM 1265 H31 THR A 30 10.541 7.921 1.669 1.00 0.05 H HETATM 1266 H28 THR A 30 9.203 8.048 -0.300 1.00 0.03 H HETATM 1267 H29 THR A 30 9.900 6.539 -0.979 1.00 0.03 H HETATM 1268 H26 THR A 30 7.976 6.876 1.359 1.00 0.03 H HETATM 1269 H27 THR A 30 7.856 5.769 -0.050 1.00 0.03 H HETATM 1270 H25 THR A 30 8.912 5.040 2.430 1.00 0.08 H HETATM 1271 CB THR A 30 13.993 5.603 1.326 1.00 -0.01 C HETATM 1272 CG THR A 30 14.008 4.302 0.528 1.00 -0.04 C HETATM 1273 CD1 THR A 30 14.545 4.536 -0.848 1.00 -0.06 C HETATM 1274 H19 THR A 30 14.548 3.588 -1.407 1.00 0.02 H HETATM 1275 H20 THR A 30 15.572 4.924 -0.780 1.00 0.02 H HETATM 1276 H21 THR A 30 13.910 5.267 -1.370 1.00 0.02 H HETATM 1277 CD2 THR A 30 14.868 3.260 1.184 1.00 -0.06 C HETATM 1278 H22 THR A 30 14.497 3.066 2.201 1.00 0.02 H HETATM 1279 H23 THR A 30 15.906 3.620 1.235 1.00 0.02 H HETATM 1280 H24 THR A 30 14.831 2.331 0.596 1.00 0.02 H HETATM 1281 H18 THR A 30 12.977 3.924 0.456 1.00 0.03 H HETATM 1282 H16 THR A 30 15.013 5.747 1.712 1.00 0.03 H HETATM 1283 H17 THR A 30 13.754 6.406 0.614 1.00 0.03 H HETATM 1284 H15 THR A 30 12.911 6.855 2.717 1.00 0.08 H HETATM 1285 H14 THR A 30 14.114 4.309 3.583 1.00 0.19 H HETATM 1286 CB THR A 30 13.657 4.937 7.507 1.00 0.04 C HETATM 1287 CG THR A 30 14.167 3.917 8.519 1.00 0.04 C HETATM 1288 OD1 THR A 30 13.775 2.730 8.421 1.00 -0.57 O HETATM 1289 OD2 THR A 30 14.989 4.295 9.380 1.00 -0.57 O HETATM 1290 H12 THR A 30 12.561 4.990 7.583 1.00 0.05 H HETATM 1291 H13 THR A 30 14.090 5.919 7.749 1.00 0.05 H HETATM 1292 H11 THR A 30 13.569 3.598 5.856 1.00 0.08 H HETATM 1293 H10 THR A 30 16.078 5.185 5.978 1.00 0.19 H HETATM 1294 CB THR A 30 18.405 2.540 6.609 1.00 0.11 C HETATM 1295 OG1 THR A 30 19.787 2.929 6.578 1.00 -0.38 O HETATM 1296 H6 THR A 30 20.242 2.535 7.313 1.00 0.21 H HETATM 1297 CG2 THR A 30 18.311 1.008 6.663 1.00 -0.03 C HETATM 1298 H7 THR A 30 18.895 0.635 7.518 1.00 0.03 H HETATM 1299 H8 THR A 30 18.712 0.583 5.731 1.00 0.03 H HETATM 1300 H9 THR A 30 17.259 0.709 6.779 1.00 0.03 H HETATM 1301 H5 THR A 30 17.965 2.933 7.537 1.00 0.07 H HETATM 1302 H4 THR A 30 17.793 2.522 4.541 1.00 0.11 H HETATM 1303 H1 THR A 30 17.519 4.869 4.295 1.00 0.20 H HETATM 1304 H2 THR A 30 19.035 4.470 4.795 1.00 0.20 H HETATM 1305 H3 THR A 30 17.961 5.119 5.860 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 398 387 399 406 CONECT 399 398 400 402 CONECT 400 399 401 407 CONECT 401 400 CONECT 402 399 403 CONECT 403 402 404 CONECT 404 403 405 CONECT 405 404 CONECT 406 398 CONECT 752 747 753 760 CONECT 753 752 754 756 CONECT 754 753 755 761 CONECT 755 754 CONECT 756 753 757 CONECT 757 756 758 CONECT 758 757 759 CONECT 759 758 CONECT 760 752 CONECT 920 921 932 933 934 CONECT 932 920 CONECT 933 920 CONECT 934 920 CONECT 1006 996 1007 1014 CONECT 1007 1006 1008 1010 CONECT 1008 1007 1009 1015 CONECT 1009 1008 CONECT 1010 1007 1011 CONECT 1011 1010 1012 CONECT 1012 1011 1013 CONECT 1013 1012 CONECT 1014 1006 CONECT 1105 1096 1106 1113 CONECT 1106 1105 1107 1109 CONECT 1107 1106 1108 1114 CONECT 1108 1107 CONECT 1109 1106 1110 CONECT 1110 1109 1111 CONECT 1111 1110 1112 CONECT 1112 1111 CONECT 1113 1105 CONECT 1179 1180 1303 1304 1305 CONECT 1180 1179 1181 1294 1302 CONECT 1181 1180 1182 1183 CONECT 1182 1181 CONECT 1183 1181 1184 1293 CONECT 1184 1183 1185 1286 1292 CONECT 1185 1184 1186 1187 CONECT 1186 1185 CONECT 1187 1185 1188 1285 CONECT 1188 1187 1189 1271 1284 CONECT 1189 1188 1190 1191 CONECT 1190 1189 CONECT 1191 1189 1192 1263 CONECT 1192 1191 1193 1261 1270 CONECT 1193 1192 1194 1195 CONECT 1194 1193 CONECT 1195 1193 1196 1260 CONECT 1196 1195 1197 1205 1259 CONECT 1197 1196 1198 1203 1204 CONECT 1198 1197 1199 CONECT 1199 1198 1200 1201 1202 CONECT 1200 1199 CONECT 1201 1199 CONECT 1202 1199 CONECT 1203 1197 CONECT 1204 1197 CONECT 1205 1196 1206 1207 CONECT 1206 1205 CONECT 1207 1205 1208 1258 CONECT 1208 1207 1209 1251 1257 CONECT 1209 1208 1210 1211 CONECT 1210 1209 CONECT 1211 1209 1212 1243 CONECT 1212 1211 1213 1241 1250 CONECT 1213 1212 1214 1215 CONECT 1214 1213 CONECT 1215 1213 1216 1233 CONECT 1216 1215 1217 1231 1240 CONECT 1217 1216 1218 1219 CONECT 1218 1217 CONECT 1219 1217 1220 1230 CONECT 1220 1219 1221 1224 1229 CONECT 1221 1220 1222 1223 CONECT 1222 1221 CONECT 1223 1221 CONECT 1224 1220 1225 1227 1228 CONECT 1225 1224 1226 CONECT 1226 1225 CONECT 1227 1224 CONECT 1228 1224 CONECT 1229 1220 CONECT 1230 1219 CONECT 1231 1216 1232 1238 1239 CONECT 1232 1231 1233 1236 1237 CONECT 1233 1215 1232 1234 1235 CONECT 1234 1233 CONECT 1235 1233 CONECT 1236 1232 CONECT 1237 1232 CONECT 1238 1231 CONECT 1239 1231 CONECT 1240 1216 CONECT 1241 1212 1242 1248 1249 CONECT 1242 1241 1243 1246 1247 CONECT 1243 1211 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 CONECT 1246 1242 CONECT 1247 1242 CONECT 1248 1241 CONECT 1249 1241 CONECT 1250 1212 CONECT 1251 1208 1252 1255 1256 CONECT 1252 1251 1253 1254 CONECT 1253 1252 CONECT 1254 1252 CONECT 1255 1251 CONECT 1256 1251 CONECT 1257 1208 CONECT 1258 1207 CONECT 1259 1196 CONECT 1260 1195 CONECT 1261 1192 1262 1268 1269 CONECT 1262 1261 1263 1266 1267 CONECT 1263 1191 1262 1264 1265 CONECT 1264 1263 CONECT 1265 1263 CONECT 1266 1262 CONECT 1267 1262 CONECT 1268 1261 CONECT 1269 1261 CONECT 1270 1192 CONECT 1271 1188 1272 1282 1283 CONECT 1272 1271 1273 1277 1281 CONECT 1273 1272 1274 1275 1276 CONECT 1274 1273 CONECT 1275 1273 CONECT 1276 1273 CONECT 1277 1272 1278 1279 1280 CONECT 1278 1277 CONECT 1279 1277 CONECT 1280 1277 CONECT 1281 1272 CONECT 1282 1271 CONECT 1283 1271 CONECT 1284 1188 CONECT 1285 1187 CONECT 1286 1184 1287 1290 1291 CONECT 1287 1286 1288 1289 CONECT 1288 1287 CONECT 1289 1287 CONECT 1290 1286 CONECT 1291 1286 CONECT 1292 1184 CONECT 1293 1183 CONECT 1294 1180 1295 1297 1301 CONECT 1295 1294 1296 CONECT 1296 1295 CONECT 1297 1294 1298 1299 1300 CONECT 1298 1297 CONECT 1299 1297 CONECT 1300 1297 CONECT 1301 1294 CONECT 1302 1180 CONECT 1303 1179 CONECT 1304 1179 CONECT 1305 1179 MASTER 0 0 0 0 0 0 0 0 1303 2 171 9 END
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Entry Information
PDB ID
6qsz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Sir4 H-BRCT domain
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=0.07uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Embo J. Vol. 38: pp. e101744-e101744
Ligand Properties
Formula
C
3
9
H
6
4
N
9
O
2
0
P
Molecular Weight
1009.950
Exact Mass
1009.400
No. of atoms
133
No. of bonds
135
Polar Surface Area
469.94
LOGP Value
-4.74 (
Computed with XLOGP3
)
-5.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])CC(=O)O)CC(C)C)COP(O)(O)O)CC(=O)O
InChI String
InChI=1S/C39H64N9O20P/c1-18(2)13-21(42-31(55)20(14-28(51)52)41-35(59)30(40)19(3)50)36(60)46-10-4-7-25(46)34(58)45-24(17-68-69(65,66)67)32(56)43-22(15-29(53)54)37(61)48-12-6-9-27(48)38(62)47-11-5-8-26(47)33(57)44-23(16-49)39(63)64/h18-27,30,49-50,65-67,69H,4-17,40H2,1-3H3,(H,41,59)(H,42,55)(H,43,56)(H,44,57)(H,45,58)(H,51,52)(H,53,54)(H,63,64)/p+1/t19-,20+,21+,22+,23+,24+,25+,26+,27+,30+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q03661
P11978
Entrez Gene ID
NCBI Entrez Gene ID:
855259
851813
ASD
Information of known allosteric effects of PDB entries
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