Browse entries in the PDBbind-CN Database
HEADER 3JZO_COMPLEX COMPND 3JZO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 GLN ILE ASN GLN VAL ARG PRO LYS LEU PRO LEU LEU LYS SEQRES 2 A 87 ILE LEU HIS ALA ALA GLY ALA GLN GLY GLU MET PHE THR SEQRES 3 A 87 VAL LYS GLU VAL MET HIS TYR LEU GLY GLN TYR ILE MET SEQRES 4 A 87 VAL LYS GLN LEU TYR ASP GLN GLN GLU GLN HIS MET VAL SEQRES 5 A 87 TYR CYS GLY GLY ASP LEU LEU GLY GLU LEU LEU GLY ARG SEQRES 6 A 87 GLN SER PHE SER VAL LYS ASP PRO SER PRO LEU TYR ASP SEQRES 7 A 87 MET LEU ARG LYS ASN LEU VAL THR LEU HET K A 1 1 HET LEU A 205 204 ATOM 1 N GLN A 23 -10.718 0.104 3.147 1.00 18.68 N ATOM 2 CA GLN A 23 -10.154 0.883 1.992 1.00 13.63 C ATOM 3 C GLN A 23 -8.868 0.188 1.530 1.00 13.66 C ATOM 4 O GLN A 23 -8.030 -0.203 2.349 1.00 13.89 O ATOM 5 CB GLN A 23 -9.938 2.348 2.411 1.00 16.85 C ATOM 6 CG GLN A 23 -11.292 3.027 2.729 1.00 20.06 C ATOM 7 CD GLN A 23 -11.202 4.479 3.193 1.00 24.64 C ATOM 8 OE1 GLN A 23 -10.587 4.784 4.219 1.00 26.34 O ATOM 9 NE2 GLN A 23 -11.837 5.383 2.446 1.00 26.48 N ATOM 10 HA GLN A 23 -10.843 0.906 1.148 1.00 0.00 H ATOM 11 HB2 GLN A 23 -9.305 2.378 3.298 1.00 0.00 H ATOM 12 HB3 GLN A 23 -9.449 2.885 1.598 1.00 0.00 H ATOM 13 HG2 GLN A 23 -11.903 2.999 1.827 1.00 0.00 H ATOM 14 HG3 GLN A 23 -11.781 2.452 3.515 1.00 0.00 H ATOM 15 HE22 GLN A 23 -12.344 5.085 1.588 1.00 0.00 H ATOM 16 HE21 GLN A 23 -11.825 6.386 2.721 1.00 0.00 H ATOM 17 HN3 GLN A 23 -10.024 0.083 3.921 1.00 0.00 H ATOM 18 HN2 GLN A 23 -10.926 -0.868 2.840 1.00 0.00 H ATOM 19 HN1 GLN A 23 -11.593 0.560 3.477 1.00 0.00 H ATOM 20 N ILE A 24 -8.729 0.021 0.216 1.00 10.47 N ATOM 21 CA ILE A 24 -7.601 -0.728 -0.366 1.00 13.43 C ATOM 22 C ILE A 24 -6.184 -0.227 -0.060 1.00 12.32 C ATOM 23 O ILE A 24 -5.228 -1.015 -0.073 1.00 12.97 O ATOM 24 CB ILE A 24 -7.809 -0.879 -1.916 1.00 13.15 C ATOM 25 CG1 ILE A 24 -6.870 -1.945 -2.491 1.00 13.96 C ATOM 26 CG2 ILE A 24 -7.633 0.471 -2.618 1.00 13.52 C ATOM 27 CD1 ILE A 24 -7.157 -3.345 -1.952 1.00 16.95 C ATOM 28 HA ILE A 24 -7.635 -1.690 0.145 1.00 0.00 H ATOM 29 HB ILE A 24 -8.830 -1.214 -2.098 1.00 0.00 H ATOM 30 HG12 ILE A 24 -6.983 -1.960 -3.575 1.00 0.00 H ATOM 31 HG13 ILE A 24 -5.844 -1.678 -2.237 1.00 0.00 H ATOM 32 HD11 ILE A 24 -7.038 -3.347 -0.869 1.00 0.00 H ATOM 33 HD12 ILE A 24 -8.178 -3.629 -2.207 1.00 0.00 H ATOM 34 HD13 ILE A 24 -6.459 -4.054 -2.397 1.00 0.00 H ATOM 35 HG21 ILE A 24 -8.366 1.179 -2.230 1.00 0.00 H ATOM 36 HG22 ILE A 24 -6.627 0.848 -2.431 1.00 0.00 H ATOM 37 HG23 ILE A 24 -7.781 0.344 -3.690 1.00 0.00 H ATOM 38 H ILE A 24 -9.440 0.433 -0.421 1.00 0.00 H ATOM 39 N ASN A 25 -6.043 1.058 0.246 1.00 10.28 N ATOM 40 CA ASN A 25 -4.715 1.617 0.535 1.00 11.12 C ATOM 41 C ASN A 25 -4.356 1.589 2.031 1.00 11.43 C ATOM 42 O ASN A 25 -3.334 2.152 2.442 1.00 14.35 O ATOM 43 CB ASN A 25 -4.625 3.062 0.017 1.00 11.16 C ATOM 44 CG ASN A 25 -5.522 3.999 0.778 1.00 10.89 C ATOM 45 OD1 ASN A 25 -6.706 3.721 0.948 1.00 13.21 O ATOM 46 ND2 ASN A 25 -4.975 5.121 1.233 1.00 14.84 N ATOM 47 HA ASN A 25 -3.996 0.981 0.019 1.00 0.00 H ATOM 48 HB2 ASN A 25 -3.595 3.406 0.114 1.00 0.00 H ATOM 49 HB3 ASN A 25 -4.914 3.076 -1.034 1.00 0.00 H ATOM 50 HD22 ASN A 25 -3.967 5.314 1.065 1.00 0.00 H ATOM 51 HD21 ASN A 25 -5.555 5.807 1.758 1.00 0.00 H ATOM 52 H ASN A 25 -6.880 1.674 0.281 1.00 0.00 H ATOM 53 N GLN A 26 -5.193 0.938 2.833 1.00 11.42 N ATOM 54 CA GLN A 26 -4.938 0.825 4.264 1.00 10.74 C ATOM 55 C GLN A 26 -4.610 -0.606 4.685 1.00 12.57 C ATOM 56 O GLN A 26 -4.861 -1.569 3.956 1.00 12.82 O ATOM 57 CB GLN A 26 -6.143 1.329 5.041 1.00 13.52 C ATOM 58 CG GLN A 26 -6.490 2.780 4.717 1.00 21.58 C ATOM 59 CD GLN A 26 -6.322 3.691 5.909 1.00 24.69 C ATOM 60 OE1 GLN A 26 -6.919 3.467 6.962 1.00 27.68 O ATOM 61 NE2 GLN A 26 -5.513 4.731 5.750 1.00 28.72 N ATOM 62 HA GLN A 26 -4.065 1.437 4.490 1.00 0.00 H ATOM 63 HB2 GLN A 26 -7.001 0.703 4.798 1.00 0.00 H ATOM 64 HB3 GLN A 26 -5.928 1.251 6.107 1.00 0.00 H ATOM 65 HG2 GLN A 26 -5.836 3.126 3.916 1.00 0.00 H ATOM 66 HG3 GLN A 26 -7.527 2.826 4.384 1.00 0.00 H ATOM 67 HE22 GLN A 26 -5.030 4.880 4.841 1.00 0.00 H ATOM 68 HE21 GLN A 26 -5.362 5.397 6.534 1.00 0.00 H ATOM 69 H GLN A 26 -6.047 0.501 2.431 1.00 0.00 H ATOM 70 N VAL A 27 -4.032 -0.737 5.870 1.00 10.47 N ATOM 71 CA VAL A 27 -3.674 -2.038 6.412 1.00 7.07 C ATOM 72 C VAL A 27 -3.994 -1.995 7.895 1.00 9.47 C ATOM 73 O VAL A 27 -4.140 -0.907 8.489 1.00 8.94 O ATOM 74 CB VAL A 27 -2.159 -2.326 6.234 1.00 8.56 C ATOM 75 CG1 VAL A 27 -1.779 -2.212 4.732 1.00 10.87 C ATOM 76 CG2 VAL A 27 -1.327 -1.341 7.053 1.00 9.23 C ATOM 77 HA VAL A 27 -4.225 -2.821 5.892 1.00 0.00 H ATOM 78 HB VAL A 27 -1.950 -3.336 6.587 1.00 0.00 H ATOM 79 HG11 VAL A 27 -2.356 -2.936 4.157 1.00 0.00 H ATOM 80 HG12 VAL A 27 -2.001 -1.205 4.378 1.00 0.00 H ATOM 81 HG13 VAL A 27 -0.715 -2.415 4.611 1.00 0.00 H ATOM 82 HG21 VAL A 27 -1.536 -0.325 6.719 1.00 0.00 H ATOM 83 HG22 VAL A 27 -1.585 -1.438 8.108 1.00 0.00 H ATOM 84 HG23 VAL A 27 -0.268 -1.559 6.915 1.00 0.00 H ATOM 85 H VAL A 27 -3.828 0.116 6.429 1.00 0.00 H ATOM 86 N ARG A 28 -4.101 -3.169 8.504 1.00 9.01 N ATOM 87 CA ARG A 28 -4.388 -3.220 9.932 1.00 9.13 C ATOM 88 C ARG A 28 -3.238 -3.965 10.609 1.00 10.74 C ATOM 89 O ARG A 28 -3.126 -5.195 10.488 1.00 11.16 O ATOM 90 CB ARG A 28 -5.719 -3.950 10.180 1.00 13.14 C ATOM 91 CG ARG A 28 -6.026 -4.169 11.653 1.00 12.26 C ATOM 92 CD ARG A 28 -7.293 -5.033 11.876 1.00 10.87 C ATOM 93 NE ARG A 28 -8.521 -4.344 11.506 1.00 12.01 N ATOM 94 CZ ARG A 28 -9.124 -3.432 12.272 1.00 15.79 C ATOM 95 NH1 ARG A 28 -8.615 -3.113 13.455 1.00 13.79 N ATOM 96 NH2 ARG A 28 -10.229 -2.825 11.846 1.00 16.96 N ATOM 97 HA ARG A 28 -4.479 -2.213 10.340 1.00 0.00 H ATOM 98 HB2 ARG A 28 -6.524 -3.358 9.744 1.00 0.00 H ATOM 99 HB3 ARG A 28 -5.677 -4.922 9.688 1.00 0.00 H ATOM 100 HG2 ARG A 28 -5.176 -4.670 12.116 1.00 0.00 H ATOM 101 HG3 ARG A 28 -6.177 -3.199 12.126 1.00 0.00 H ATOM 102 HD2 ARG A 28 -7.349 -5.303 12.931 1.00 0.00 H ATOM 103 HD3 ARG A 28 -7.207 -5.938 11.275 1.00 0.00 H ATOM 104 HE ARG A 28 -8.955 -4.576 10.590 1.00 0.00 H ATOM 105 HH12 ARG A 28 -9.087 -2.402 14.050 1.00 0.00 H ATOM 106 HH11 ARG A 28 -7.744 -3.574 13.788 1.00 0.00 H ATOM 107 HH22 ARG A 28 -10.696 -2.115 12.445 1.00 0.00 H ATOM 108 HH21 ARG A 28 -10.625 -3.061 10.914 1.00 0.00 H ATOM 109 H ARG A 28 -3.980 -4.050 7.964 1.00 0.00 H ATOM 110 N PRO A 29 -2.340 -3.222 11.290 1.00 10.78 N ATOM 111 CA PRO A 29 -1.198 -3.827 11.981 1.00 8.77 C ATOM 112 C PRO A 29 -1.663 -4.780 13.067 1.00 11.25 C ATOM 113 O PRO A 29 -2.596 -4.479 13.818 1.00 10.82 O ATOM 114 CB PRO A 29 -0.482 -2.636 12.608 1.00 8.25 C ATOM 115 CG PRO A 29 -0.818 -1.486 11.674 1.00 11.69 C ATOM 116 CD PRO A 29 -2.282 -1.749 11.353 1.00 10.66 C ATOM 117 HA PRO A 29 -0.566 -4.408 11.309 1.00 0.00 H ATOM 118 HD3 PRO A 29 -2.932 -1.363 12.138 1.00 0.00 H ATOM 119 HD2 PRO A 29 -2.562 -1.303 10.399 1.00 0.00 H ATOM 120 HG3 PRO A 29 -0.204 -1.516 10.774 1.00 0.00 H ATOM 121 HG2 PRO A 29 -0.688 -0.524 12.169 1.00 0.00 H ATOM 122 HB2 PRO A 29 -0.855 -2.443 13.614 1.00 0.00 H ATOM 123 HB3 PRO A 29 0.594 -2.805 12.647 1.00 0.00 H ATOM 124 N LYS A 30 -0.998 -5.919 13.154 1.00 10.82 N ATOM 125 CA LYS A 30 -1.295 -6.862 14.208 1.00 10.29 C ATOM 126 C LYS A 30 -0.919 -6.218 15.546 1.00 11.93 C ATOM 127 O LYS A 30 -0.043 -5.348 15.630 1.00 10.91 O ATOM 128 CB LYS A 30 -0.509 -8.145 13.994 1.00 12.40 C ATOM 129 CG LYS A 30 -1.038 -8.941 12.851 1.00 11.28 C ATOM 130 CD LYS A 30 -0.523 -10.364 12.898 1.00 16.59 C ATOM 131 CE LYS A 30 -1.071 -11.169 11.716 1.00 20.66 C ATOM 132 NZ LYS A 30 -0.318 -12.449 11.553 1.00 21.24 N ATOM 133 HA LYS A 30 -2.356 -7.113 14.204 1.00 0.00 H ATOM 134 HB2 LYS A 30 0.532 -7.891 13.794 1.00 0.00 H ATOM 135 HB3 LYS A 30 -0.567 -8.748 14.900 1.00 0.00 H ATOM 136 HG2 LYS A 30 -2.127 -8.954 12.898 1.00 0.00 H ATOM 137 HG3 LYS A 30 -0.722 -8.478 11.917 1.00 0.00 H ATOM 138 HD2 LYS A 30 0.566 -10.354 12.852 1.00 0.00 H ATOM 139 HD3 LYS A 30 -0.842 -10.831 13.830 1.00 0.00 H ATOM 140 HE2 LYS A 30 -0.974 -10.578 10.805 1.00 0.00 H ATOM 141 HE3 LYS A 30 -2.123 -11.393 11.892 1.00 0.00 H ATOM 142 HZ1 LYS A 30 0.686 -12.240 11.381 1.00 0.00 H ATOM 143 HZ2 LYS A 30 -0.411 -13.017 12.419 1.00 0.00 H ATOM 144 HZ3 LYS A 30 -0.706 -12.978 10.746 1.00 0.00 H ATOM 145 H LYS A 30 -0.256 -6.138 12.459 1.00 0.00 H ATOM 146 N LEU A 31 -1.585 -6.667 16.607 1.00 13.63 N ATOM 147 CA LEU A 31 -1.389 -6.086 17.917 1.00 15.16 C ATOM 148 C LEU A 31 0.012 -5.666 18.383 1.00 11.07 C ATOM 149 O LEU A 31 0.184 -4.521 18.812 1.00 13.14 O ATOM 150 CB LEU A 31 -2.068 -6.980 18.974 1.00 16.80 C ATOM 151 CG LEU A 31 -3.587 -7.079 18.738 1.00 20.22 C ATOM 152 CD1 LEU A 31 -4.169 -8.152 19.652 1.00 17.60 C ATOM 153 CD2 LEU A 31 -4.262 -5.719 18.983 1.00 17.20 C ATOM 154 HA LEU A 31 -1.855 -5.107 17.802 1.00 0.00 H ATOM 155 HB2 LEU A 31 -1.636 -7.979 18.924 1.00 0.00 H ATOM 156 HB3 LEU A 31 -1.890 -6.558 19.963 1.00 0.00 H ATOM 157 HG LEU A 31 -3.775 -7.358 17.701 1.00 0.00 H ATOM 158 HD21 LEU A 31 -4.083 -5.406 20.012 1.00 0.00 H ATOM 159 HD22 LEU A 31 -3.845 -4.979 18.299 1.00 0.00 H ATOM 160 HD23 LEU A 31 -5.334 -5.811 18.811 1.00 0.00 H ATOM 161 HD11 LEU A 31 -3.701 -9.111 19.429 1.00 0.00 H ATOM 162 HD12 LEU A 31 -3.977 -7.886 20.691 1.00 0.00 H ATOM 163 HD13 LEU A 31 -5.244 -8.224 19.487 1.00 0.00 H ATOM 164 H LEU A 31 -2.259 -7.450 16.492 1.00 0.00 H ATOM 165 N PRO A 32 1.011 -6.561 18.340 1.00 11.59 N ATOM 166 CA PRO A 32 2.320 -6.093 18.810 1.00 10.55 C ATOM 167 C PRO A 32 2.890 -4.981 17.957 1.00 11.26 C ATOM 168 O PRO A 32 3.554 -4.089 18.482 1.00 10.45 O ATOM 169 CB PRO A 32 3.189 -7.355 18.791 1.00 8.16 C ATOM 170 CG PRO A 32 2.517 -8.216 17.746 1.00 12.87 C ATOM 171 CD PRO A 32 1.054 -7.989 17.984 1.00 10.20 C ATOM 172 HA PRO A 32 2.263 -5.643 19.801 1.00 0.00 H ATOM 173 HD3 PRO A 32 0.472 -8.190 17.085 1.00 0.00 H ATOM 174 HD2 PRO A 32 0.685 -8.611 18.800 1.00 0.00 H ATOM 175 HG3 PRO A 32 2.775 -9.266 17.883 1.00 0.00 H ATOM 176 HG2 PRO A 32 2.801 -7.901 16.742 1.00 0.00 H ATOM 177 HB2 PRO A 32 4.214 -7.121 18.505 1.00 0.00 H ATOM 178 HB3 PRO A 32 3.188 -7.847 19.764 1.00 0.00 H ATOM 179 N LEU A 33 2.655 -5.031 16.642 1.00 11.06 N ATOM 180 CA LEU A 33 3.163 -3.944 15.793 1.00 9.08 C ATOM 181 C LEU A 33 2.385 -2.665 16.071 1.00 9.75 C ATOM 182 O LEU A 33 2.944 -1.574 16.038 1.00 9.00 O ATOM 183 CB LEU A 33 3.087 -4.306 14.306 1.00 11.27 C ATOM 184 CG LEU A 33 3.596 -3.209 13.331 1.00 8.39 C ATOM 185 CD1 LEU A 33 5.061 -2.836 13.642 1.00 9.88 C ATOM 186 CD2 LEU A 33 3.514 -3.743 11.899 1.00 8.58 C ATOM 187 HA LEU A 33 4.214 -3.787 16.037 1.00 0.00 H ATOM 188 HB2 LEU A 33 3.685 -5.203 14.146 1.00 0.00 H ATOM 189 HB3 LEU A 33 2.046 -4.517 14.063 1.00 0.00 H ATOM 190 HG LEU A 33 2.976 -2.320 13.447 1.00 0.00 H ATOM 191 HD21 LEU A 33 4.135 -4.634 11.809 1.00 0.00 H ATOM 192 HD22 LEU A 33 2.479 -3.994 11.665 1.00 0.00 H ATOM 193 HD23 LEU A 33 3.869 -2.980 11.207 1.00 0.00 H ATOM 194 HD11 LEU A 33 5.130 -2.459 14.663 1.00 0.00 H ATOM 195 HD12 LEU A 33 5.690 -3.720 13.536 1.00 0.00 H ATOM 196 HD13 LEU A 33 5.394 -2.066 12.946 1.00 0.00 H ATOM 197 H LEU A 33 2.123 -5.823 16.228 1.00 0.00 H ATOM 198 N LEU A 34 1.090 -2.786 16.358 1.00 9.95 N ATOM 199 CA LEU A 34 0.288 -1.607 16.650 1.00 9.88 C ATOM 200 C LEU A 34 0.805 -0.952 17.921 1.00 9.64 C ATOM 201 O LEU A 34 0.864 0.270 18.013 1.00 13.98 O ATOM 202 CB LEU A 34 -1.189 -1.988 16.821 1.00 10.95 C ATOM 203 CG LEU A 34 -2.160 -0.826 17.015 1.00 12.05 C ATOM 204 CD1 LEU A 34 -2.289 -0.031 15.726 1.00 12.42 C ATOM 205 CD2 LEU A 34 -3.516 -1.387 17.429 1.00 9.94 C ATOM 206 HA LEU A 34 0.367 -0.908 15.818 1.00 0.00 H ATOM 207 HB2 LEU A 34 -1.498 -2.536 15.931 1.00 0.00 H ATOM 208 HB3 LEU A 34 -1.268 -2.638 17.692 1.00 0.00 H ATOM 209 HG LEU A 34 -1.787 -0.158 17.791 1.00 0.00 H ATOM 210 HD21 LEU A 34 -3.886 -2.053 16.649 1.00 0.00 H ATOM 211 HD22 LEU A 34 -3.409 -1.941 18.362 1.00 0.00 H ATOM 212 HD23 LEU A 34 -4.219 -0.566 17.571 1.00 0.00 H ATOM 213 HD11 LEU A 34 -1.312 0.362 15.444 1.00 0.00 H ATOM 214 HD12 LEU A 34 -2.663 -0.682 14.935 1.00 0.00 H ATOM 215 HD13 LEU A 34 -2.984 0.795 15.878 1.00 0.00 H ATOM 216 H LEU A 34 0.650 -3.728 16.374 1.00 0.00 H ATOM 217 N LYS A 35 1.188 -1.765 18.900 1.00 11.63 N ATOM 218 CA LYS A 35 1.711 -1.241 20.163 1.00 13.32 C ATOM 219 C LYS A 35 2.911 -0.327 19.860 1.00 12.06 C ATOM 220 O LYS A 35 3.038 0.767 20.402 1.00 12.70 O ATOM 221 CB LYS A 35 2.141 -2.410 21.057 1.00 14.01 C ATOM 222 CG LYS A 35 2.760 -2.020 22.380 1.00 21.74 C ATOM 223 CD LYS A 35 1.716 -1.530 23.384 1.00 27.51 C ATOM 224 CE LYS A 35 2.395 -1.115 24.680 1.00 29.68 C ATOM 225 NZ LYS A 35 1.440 -0.713 25.731 1.00 31.27 N ATOM 226 HA LYS A 35 0.944 -0.667 20.683 1.00 0.00 H ATOM 227 HB2 LYS A 35 1.260 -3.018 21.264 1.00 0.00 H ATOM 228 HB3 LYS A 35 2.870 -3.005 20.506 1.00 0.00 H ATOM 229 HG2 LYS A 35 3.270 -2.888 22.799 1.00 0.00 H ATOM 230 HG3 LYS A 35 3.483 -1.223 22.208 1.00 0.00 H ATOM 231 HD2 LYS A 35 1.185 -0.675 22.965 1.00 0.00 H ATOM 232 HD3 LYS A 35 1.007 -2.332 23.588 1.00 0.00 H ATOM 233 HE2 LYS A 35 3.056 -0.274 24.472 1.00 0.00 H ATOM 234 HE3 LYS A 35 2.983 -1.955 25.048 1.00 0.00 H ATOM 235 HZ1 LYS A 35 0.878 0.095 25.396 1.00 0.00 H ATOM 236 HZ2 LYS A 35 0.808 -1.510 25.947 1.00 0.00 H ATOM 237 HZ3 LYS A 35 1.963 -0.442 26.588 1.00 0.00 H ATOM 238 H LYS A 35 1.115 -2.794 18.766 1.00 0.00 H ATOM 239 N ILE A 36 3.790 -0.793 18.979 1.00 9.55 N ATOM 240 CA ILE A 36 4.967 -0.030 18.590 1.00 9.42 C ATOM 241 C ILE A 36 4.596 1.291 17.923 1.00 9.52 C ATOM 242 O ILE A 36 5.160 2.340 18.242 1.00 10.12 O ATOM 243 CB ILE A 36 5.838 -0.891 17.653 1.00 11.82 C ATOM 244 CG1 ILE A 36 6.482 -1.986 18.496 1.00 11.82 C ATOM 245 CG2 ILE A 36 6.919 -0.047 16.929 1.00 7.48 C ATOM 246 CD1 ILE A 36 7.378 -2.900 17.738 1.00 17.23 C ATOM 247 HA ILE A 36 5.530 0.221 19.489 1.00 0.00 H ATOM 248 HB ILE A 36 5.213 -1.324 16.872 1.00 0.00 H ATOM 249 HG12 ILE A 36 7.067 -1.511 19.283 1.00 0.00 H ATOM 250 HG13 ILE A 36 5.688 -2.582 18.945 1.00 0.00 H ATOM 251 HD11 ILE A 36 6.808 -3.397 16.953 1.00 0.00 H ATOM 252 HD12 ILE A 36 8.189 -2.324 17.291 1.00 0.00 H ATOM 253 HD13 ILE A 36 7.792 -3.646 18.416 1.00 0.00 H ATOM 254 HG21 ILE A 36 6.435 0.726 16.331 1.00 0.00 H ATOM 255 HG22 ILE A 36 7.570 0.419 17.669 1.00 0.00 H ATOM 256 HG23 ILE A 36 7.509 -0.694 16.280 1.00 0.00 H ATOM 257 H ILE A 36 3.632 -1.730 18.555 1.00 0.00 H ATOM 258 N LEU A 37 3.630 1.243 17.011 1.00 9.59 N ATOM 259 CA LEU A 37 3.205 2.445 16.311 1.00 9.67 C ATOM 260 C LEU A 37 2.597 3.429 17.313 1.00 11.49 C ATOM 261 O LEU A 37 2.898 4.635 17.300 1.00 12.89 O ATOM 262 CB LEU A 37 2.205 2.077 15.198 1.00 9.11 C ATOM 263 CG LEU A 37 2.675 0.988 14.225 1.00 9.83 C ATOM 264 CD1 LEU A 37 1.658 0.800 13.096 1.00 9.51 C ATOM 265 CD2 LEU A 37 4.028 1.385 13.634 1.00 10.52 C ATOM 266 HA LEU A 37 4.063 2.925 15.840 1.00 0.00 H ATOM 267 HB2 LEU A 37 1.286 1.731 15.672 1.00 0.00 H ATOM 268 HB3 LEU A 37 1.998 2.978 14.620 1.00 0.00 H ATOM 269 HG LEU A 37 2.770 0.048 14.769 1.00 0.00 H ATOM 270 HD21 LEU A 37 3.927 2.331 13.102 1.00 0.00 H ATOM 271 HD22 LEU A 37 4.756 1.495 14.438 1.00 0.00 H ATOM 272 HD23 LEU A 37 4.362 0.611 12.943 1.00 0.00 H ATOM 273 HD11 LEU A 37 0.697 0.506 13.519 1.00 0.00 H ATOM 274 HD12 LEU A 37 1.545 1.737 12.551 1.00 0.00 H ATOM 275 HD13 LEU A 37 2.010 0.023 12.417 1.00 0.00 H ATOM 276 H LEU A 37 3.172 0.334 16.795 1.00 0.00 H ATOM 277 N HIS A 38 1.737 2.929 18.191 1.00 9.75 N ATOM 278 CA HIS A 38 1.138 3.801 19.207 1.00 11.96 C ATOM 279 C HIS A 38 2.231 4.433 20.106 1.00 9.40 C ATOM 280 O HIS A 38 2.145 5.617 20.444 1.00 12.87 O ATOM 281 CB HIS A 38 0.139 3.000 20.064 1.00 10.93 C ATOM 282 CG HIS A 38 -1.173 2.743 19.377 1.00 10.05 C ATOM 283 ND1 HIS A 38 -2.086 1.817 19.837 1.00 15.45 N ATOM 284 CD2 HIS A 38 -1.722 3.291 18.268 1.00 13.25 C ATOM 285 CE1 HIS A 38 -3.141 1.804 19.041 1.00 12.55 C ATOM 286 NE2 HIS A 38 -2.946 2.691 18.081 1.00 13.94 N ATOM 287 HA HIS A 38 0.607 4.607 18.701 1.00 0.00 H ATOM 288 HB2 HIS A 38 0.591 2.040 20.314 1.00 0.00 H ATOM 289 HB3 HIS A 38 -0.055 3.558 20.980 1.00 0.00 H ATOM 290 HD2 HIS A 38 -1.278 4.063 17.640 1.00 0.00 H ATOM 291 HE1 HIS A 38 -4.021 1.171 19.156 1.00 0.00 H ATOM 292 H HIS A 38 1.488 1.920 18.159 1.00 0.00 H ATOM 293 N ALA A 39 3.247 3.656 20.469 1.00 10.35 N ATOM 294 CA ALA A 39 4.344 4.153 21.297 1.00 11.41 C ATOM 295 C ALA A 39 5.018 5.358 20.651 1.00 12.95 C ATOM 296 O ALA A 39 5.539 6.230 21.348 1.00 12.81 O ATOM 297 CB ALA A 39 5.391 3.046 21.532 1.00 12.05 C ATOM 298 HA ALA A 39 3.921 4.459 22.254 1.00 0.00 H ATOM 299 HB1 ALA A 39 4.920 2.203 22.038 1.00 0.00 H ATOM 300 HB2 ALA A 39 5.792 2.718 20.573 1.00 0.00 H ATOM 301 HB3 ALA A 39 6.199 3.437 22.151 1.00 0.00 H ATOM 302 H ALA A 39 3.262 2.665 20.154 1.00 0.00 H ATOM 303 N ALA A 40 5.022 5.389 19.320 1.00 12.12 N ATOM 304 CA ALA A 40 5.641 6.478 18.579 1.00 11.62 C ATOM 305 C ALA A 40 4.677 7.604 18.254 1.00 12.74 C ATOM 306 O ALA A 40 5.011 8.519 17.482 1.00 14.17 O ATOM 307 CB ALA A 40 6.310 5.939 17.274 1.00 13.32 C ATOM 308 HA ALA A 40 6.404 6.902 19.231 1.00 0.00 H ATOM 309 HB1 ALA A 40 7.074 5.207 17.535 1.00 0.00 H ATOM 310 HB2 ALA A 40 5.553 5.468 16.647 1.00 0.00 H ATOM 311 HB3 ALA A 40 6.768 6.767 16.733 1.00 0.00 H ATOM 312 H ALA A 40 4.570 4.613 18.795 1.00 0.00 H ATOM 313 N GLY A 41 3.471 7.521 18.815 1.00 12.07 N ATOM 314 CA GLY A 41 2.489 8.573 18.627 1.00 14.52 C ATOM 315 C GLY A 41 1.333 8.313 17.688 1.00 14.95 C ATOM 316 O GLY A 41 0.499 9.188 17.508 1.00 16.50 O ATOM 317 HA3 GLY A 41 3.020 9.448 18.251 1.00 0.00 H ATOM 318 HA2 GLY A 41 2.066 8.799 19.606 1.00 0.00 H ATOM 319 H GLY A 41 3.230 6.692 19.395 1.00 0.00 H ATOM 320 N ALA A 42 1.261 7.136 17.079 1.00 11.54 N ATOM 321 CA ALA A 42 0.164 6.865 16.156 1.00 11.95 C ATOM 322 C ALA A 42 -1.169 6.715 16.909 1.00 14.50 C ATOM 323 O ALA A 42 -1.182 6.404 18.099 1.00 13.46 O ATOM 324 CB ALA A 42 0.441 5.584 15.354 1.00 14.42 C ATOM 325 HA ALA A 42 0.089 7.712 15.474 1.00 0.00 H ATOM 326 HB1 ALA A 42 1.362 5.706 14.785 1.00 0.00 H ATOM 327 HB2 ALA A 42 0.544 4.743 16.040 1.00 0.00 H ATOM 328 HB3 ALA A 42 -0.388 5.398 14.671 1.00 0.00 H ATOM 329 H ALA A 42 1.983 6.410 17.259 1.00 0.00 H ATOM 330 N GLN A 43 -2.268 6.956 16.193 1.00 13.04 N ATOM 331 CA GLN A 43 -3.618 6.819 16.733 1.00 15.72 C ATOM 332 C GLN A 43 -4.460 5.972 15.814 1.00 15.43 C ATOM 333 O GLN A 43 -4.363 6.091 14.592 1.00 15.59 O ATOM 334 CB GLN A 43 -4.302 8.180 16.855 1.00 15.18 C ATOM 335 CG GLN A 43 -3.805 8.968 18.030 1.00 23.41 C ATOM 336 CD GLN A 43 -4.433 10.333 18.111 1.00 24.49 C ATOM 337 OE1 GLN A 43 -4.559 10.899 19.202 1.00 19.40 O ATOM 338 NE2 GLN A 43 -4.815 10.891 16.950 1.00 25.09 N ATOM 339 HA GLN A 43 -3.528 6.357 17.716 1.00 0.00 H ATOM 340 HB2 GLN A 43 -4.112 8.750 15.946 1.00 0.00 H ATOM 341 HB3 GLN A 43 -5.375 8.024 16.967 1.00 0.00 H ATOM 342 HG2 GLN A 43 -4.038 8.420 18.943 1.00 0.00 H ATOM 343 HG3 GLN A 43 -2.725 9.084 17.943 1.00 0.00 H ATOM 344 HE22 GLN A 43 -4.687 10.373 16.057 1.00 0.00 H ATOM 345 HE21 GLN A 43 -5.238 11.841 16.944 1.00 0.00 H ATOM 346 H GLN A 43 -2.158 7.256 15.203 1.00 0.00 H ATOM 347 N GLY A 44 -5.306 5.137 16.399 1.00 13.66 N ATOM 348 CA GLY A 44 -6.180 4.310 15.578 1.00 14.99 C ATOM 349 C GLY A 44 -5.713 2.891 15.356 1.00 14.79 C ATOM 350 O GLY A 44 -4.755 2.447 15.989 1.00 15.29 O ATOM 351 HA3 GLY A 44 -6.277 4.788 14.603 1.00 0.00 H ATOM 352 HA2 GLY A 44 -7.156 4.271 16.061 1.00 0.00 H ATOM 353 H GLY A 44 -5.346 5.072 17.436 1.00 0.00 H ATOM 354 N GLU A 45 -6.393 2.196 14.437 1.00 12.82 N ATOM 355 CA GLU A 45 -6.111 0.795 14.133 1.00 10.80 C ATOM 356 C GLU A 45 -5.737 0.537 12.688 1.00 10.15 C ATOM 357 O GLU A 45 -5.146 -0.512 12.380 1.00 10.94 O ATOM 358 CB GLU A 45 -7.337 -0.066 14.449 1.00 13.62 C ATOM 359 CG GLU A 45 -7.830 0.073 15.875 1.00 15.30 C ATOM 360 CD GLU A 45 -9.095 -0.739 16.160 1.00 18.36 C ATOM 361 OE1 GLU A 45 -9.694 -1.289 15.211 1.00 16.98 O ATOM 362 OE2 GLU A 45 -9.492 -0.805 17.348 1.00 20.12 O ATOM 363 HA GLU A 45 -5.253 0.535 14.753 1.00 0.00 H ATOM 364 HB2 GLU A 45 -8.144 0.224 13.776 1.00 0.00 H ATOM 365 HB3 GLU A 45 -7.078 -1.110 14.275 1.00 0.00 H ATOM 366 HG2 GLU A 45 -7.042 -0.265 16.548 1.00 0.00 H ATOM 367 HG3 GLU A 45 -8.043 1.125 16.067 1.00 0.00 H ATOM 368 H GLU A 45 -7.156 2.674 13.916 1.00 0.00 H ATOM 369 N MET A 46 -6.113 1.452 11.798 1.00 11.13 N ATOM 370 CA MET A 46 -5.812 1.279 10.372 1.00 10.96 C ATOM 371 C MET A 46 -4.944 2.415 9.855 1.00 11.97 C ATOM 372 O MET A 46 -5.115 3.595 10.219 1.00 12.33 O ATOM 373 CB MET A 46 -7.115 1.156 9.573 1.00 12.22 C ATOM 374 CG MET A 46 -7.870 -0.124 9.871 1.00 13.84 C ATOM 375 SD MET A 46 -9.450 -0.307 8.976 1.00 18.54 S ATOM 376 CE MET A 46 -10.521 0.677 10.063 1.00 17.29 C ATOM 377 HA MET A 46 -5.244 0.358 10.242 1.00 0.00 H ATOM 378 HB2 MET A 46 -7.755 2.003 9.818 1.00 0.00 H ATOM 379 HB3 MET A 46 -6.875 1.179 8.510 1.00 0.00 H ATOM 380 HG2 MET A 46 -8.080 -0.153 10.940 1.00 0.00 H ATOM 381 HG3 MET A 46 -7.230 -0.965 9.605 1.00 0.00 H ATOM 382 HE1 MET A 46 -10.519 0.243 11.063 1.00 0.00 H ATOM 383 HE2 MET A 46 -10.148 1.700 10.109 1.00 0.00 H ATOM 384 HE3 MET A 46 -11.537 0.677 9.667 1.00 0.00 H ATOM 385 H MET A 46 -6.626 2.299 12.116 1.00 0.00 H ATOM 386 N PHE A 47 -4.006 2.057 8.992 1.00 9.33 N ATOM 387 CA PHE A 47 -3.047 3.028 8.499 1.00 9.80 C ATOM 388 C PHE A 47 -2.649 2.765 7.078 1.00 9.47 C ATOM 389 O PHE A 47 -2.846 1.672 6.557 1.00 10.08 O ATOM 390 CB PHE A 47 -1.765 2.950 9.333 1.00 9.27 C ATOM 391 CG PHE A 47 -1.977 3.174 10.805 1.00 8.93 C ATOM 392 CD1 PHE A 47 -1.886 4.455 11.341 1.00 11.42 C ATOM 393 CD2 PHE A 47 -2.289 2.114 11.645 1.00 12.44 C ATOM 394 CE1 PHE A 47 -2.103 4.675 12.707 1.00 12.32 C ATOM 395 CE2 PHE A 47 -2.511 2.311 13.008 1.00 12.73 C ATOM 396 CZ PHE A 47 -2.415 3.601 13.544 1.00 12.60 C ATOM 397 HA PHE A 47 -3.528 4.004 8.568 1.00 0.00 H ATOM 398 HB2 PHE A 47 -1.327 1.961 9.196 1.00 0.00 H ATOM 399 HB3 PHE A 47 -1.072 3.707 8.967 1.00 0.00 H ATOM 400 HD2 PHE A 47 -2.362 1.108 11.232 1.00 0.00 H ATOM 401 HE2 PHE A 47 -2.758 1.466 13.651 1.00 0.00 H ATOM 402 HZ PHE A 47 -2.583 3.766 14.608 1.00 0.00 H ATOM 403 HE1 PHE A 47 -2.029 5.682 13.116 1.00 0.00 H ATOM 404 HD1 PHE A 47 -1.643 5.296 10.691 1.00 0.00 H ATOM 405 H PHE A 47 -3.956 1.071 8.665 1.00 0.00 H ATOM 406 N THR A 48 -2.077 3.787 6.448 1.00 8.96 N ATOM 407 CA THR A 48 -1.548 3.594 5.109 1.00 9.71 C ATOM 408 C THR A 48 -0.148 3.034 5.348 1.00 10.86 C ATOM 409 O THR A 48 0.366 3.109 6.469 1.00 8.75 O ATOM 410 CB THR A 48 -1.399 4.932 4.340 1.00 10.95 C ATOM 411 OG1 THR A 48 -0.467 5.791 5.014 1.00 11.02 O ATOM 412 CG2 THR A 48 -2.732 5.619 4.227 1.00 13.36 C ATOM 413 HA THR A 48 -2.206 2.956 4.519 1.00 0.00 H ATOM 414 HB THR A 48 -1.024 4.716 3.339 1.00 0.00 H ATOM 415 HG1 THR A 48 -0.381 6.641 4.513 1.00 0.00 H ATOM 416 HG23 THR A 48 -3.435 4.963 3.715 1.00 0.00 H ATOM 417 HG21 THR A 48 -3.107 5.848 5.225 1.00 0.00 H ATOM 418 HG22 THR A 48 -2.616 6.543 3.660 1.00 0.00 H ATOM 419 H THR A 48 -2.009 4.716 6.910 1.00 0.00 H ATOM 420 N VAL A 49 0.475 2.478 4.313 1.00 8.31 N ATOM 421 CA VAL A 49 1.809 1.928 4.485 1.00 10.87 C ATOM 422 C VAL A 49 2.791 3.057 4.816 1.00 10.54 C ATOM 423 O VAL A 49 3.637 2.908 5.700 1.00 9.13 O ATOM 424 CB VAL A 49 2.266 1.122 3.235 1.00 8.10 C ATOM 425 CG1 VAL A 49 3.769 0.757 3.375 1.00 8.29 C ATOM 426 CG2 VAL A 49 1.460 -0.165 3.139 1.00 10.56 C ATOM 427 HA VAL A 49 1.790 1.224 5.317 1.00 0.00 H ATOM 428 HB VAL A 49 2.111 1.727 2.342 1.00 0.00 H ATOM 429 HG11 VAL A 49 4.358 1.671 3.454 1.00 0.00 H ATOM 430 HG12 VAL A 49 3.913 0.152 4.270 1.00 0.00 H ATOM 431 HG13 VAL A 49 4.088 0.192 2.499 1.00 0.00 H ATOM 432 HG21 VAL A 49 1.623 -0.762 4.036 1.00 0.00 H ATOM 433 HG22 VAL A 49 0.401 0.077 3.049 1.00 0.00 H ATOM 434 HG23 VAL A 49 1.781 -0.729 2.263 1.00 0.00 H ATOM 435 H VAL A 49 0.009 2.437 3.384 1.00 0.00 H ATOM 436 N LYS A 50 2.644 4.204 4.158 1.00 9.99 N ATOM 437 CA LYS A 50 3.513 5.325 4.470 1.00 10.32 C ATOM 438 C LYS A 50 3.352 5.710 5.950 1.00 9.66 C ATOM 439 O LYS A 50 4.333 6.047 6.600 1.00 11.25 O ATOM 440 CB LYS A 50 3.194 6.536 3.601 1.00 11.91 C ATOM 441 CG LYS A 50 3.896 6.524 2.246 1.00 18.44 C ATOM 442 CD LYS A 50 3.718 7.903 1.604 1.00 22.02 C ATOM 443 CE LYS A 50 4.423 8.020 0.269 1.00 27.44 C ATOM 444 NZ LYS A 50 4.233 9.408 -0.258 1.00 31.93 N ATOM 445 HA LYS A 50 4.540 5.018 4.270 1.00 0.00 H ATOM 446 HB2 LYS A 50 2.118 6.563 3.431 1.00 0.00 H ATOM 447 HB3 LYS A 50 3.498 7.434 4.138 1.00 0.00 H ATOM 448 HG2 LYS A 50 4.957 6.314 2.381 1.00 0.00 H ATOM 449 HG3 LYS A 50 3.454 5.759 1.607 1.00 0.00 H ATOM 450 HD2 LYS A 50 2.654 8.084 1.454 1.00 0.00 H ATOM 451 HD3 LYS A 50 4.122 8.657 2.279 1.00 0.00 H ATOM 452 HE2 LYS A 50 4.001 7.301 -0.433 1.00 0.00 H ATOM 453 HE3 LYS A 50 5.487 7.819 0.397 1.00 0.00 H ATOM 454 HZ1 LYS A 50 3.217 9.596 -0.378 1.00 0.00 H ATOM 455 HZ2 LYS A 50 4.636 10.091 0.415 1.00 0.00 H ATOM 456 HZ3 LYS A 50 4.714 9.498 -1.176 1.00 0.00 H ATOM 457 H LYS A 50 1.912 4.297 3.425 1.00 0.00 H ATOM 458 N GLU A 51 2.130 5.697 6.486 1.00 8.34 N ATOM 459 CA GLU A 51 2.000 6.018 7.914 1.00 8.53 C ATOM 460 C GLU A 51 2.704 4.973 8.771 1.00 7.01 C ATOM 461 O GLU A 51 3.410 5.322 9.709 1.00 10.53 O ATOM 462 CB GLU A 51 0.544 6.118 8.359 1.00 8.59 C ATOM 463 CG GLU A 51 -0.184 7.284 7.742 1.00 13.59 C ATOM 464 CD GLU A 51 -1.653 7.303 8.126 1.00 16.84 C ATOM 465 OE1 GLU A 51 -2.328 6.270 7.963 1.00 8.75 O ATOM 466 OE2 GLU A 51 -2.128 8.360 8.599 1.00 20.21 O ATOM 467 HA GLU A 51 2.469 6.992 8.051 1.00 0.00 H ATOM 468 HB2 GLU A 51 0.031 5.199 8.076 1.00 0.00 H ATOM 469 HB3 GLU A 51 0.519 6.228 9.443 1.00 0.00 H ATOM 470 HG2 GLU A 51 0.281 8.210 8.081 1.00 0.00 H ATOM 471 HG3 GLU A 51 -0.104 7.215 6.657 1.00 0.00 H ATOM 472 H GLU A 51 1.295 5.467 5.910 1.00 0.00 H ATOM 473 N VAL A 52 2.499 3.690 8.486 1.00 6.67 N ATOM 474 CA VAL A 52 3.186 2.653 9.250 1.00 7.38 C ATOM 475 C VAL A 52 4.700 2.912 9.253 1.00 8.77 C ATOM 476 O VAL A 52 5.337 2.900 10.302 1.00 7.99 O ATOM 477 CB VAL A 52 2.937 1.218 8.667 1.00 5.14 C ATOM 478 CG1 VAL A 52 3.795 0.196 9.403 1.00 8.23 C ATOM 479 CG2 VAL A 52 1.452 0.828 8.827 1.00 8.72 C ATOM 480 HA VAL A 52 2.782 2.693 10.262 1.00 0.00 H ATOM 481 HB VAL A 52 3.202 1.227 7.610 1.00 0.00 H ATOM 482 HG11 VAL A 52 4.847 0.453 9.283 1.00 0.00 H ATOM 483 HG12 VAL A 52 3.537 0.202 10.462 1.00 0.00 H ATOM 484 HG13 VAL A 52 3.613 -0.795 8.989 1.00 0.00 H ATOM 485 HG21 VAL A 52 1.188 0.835 9.884 1.00 0.00 H ATOM 486 HG22 VAL A 52 0.830 1.545 8.291 1.00 0.00 H ATOM 487 HG23 VAL A 52 1.294 -0.170 8.418 1.00 0.00 H ATOM 488 H VAL A 52 1.849 3.426 7.718 1.00 0.00 H ATOM 489 N MET A 53 5.275 3.150 8.079 1.00 9.87 N ATOM 490 CA MET A 53 6.714 3.398 7.980 1.00 8.85 C ATOM 491 C MET A 53 7.162 4.641 8.779 1.00 9.27 C ATOM 492 O MET A 53 8.220 4.651 9.426 1.00 9.84 O ATOM 493 CB MET A 53 7.113 3.518 6.508 1.00 8.68 C ATOM 494 CG MET A 53 6.948 2.179 5.735 1.00 7.47 C ATOM 495 SD MET A 53 7.943 0.817 6.461 1.00 12.83 S ATOM 496 CE MET A 53 9.507 1.301 5.878 1.00 12.28 C ATOM 497 HA MET A 53 7.228 2.548 8.429 1.00 0.00 H ATOM 498 HB2 MET A 53 6.486 4.274 6.036 1.00 0.00 H ATOM 499 HB3 MET A 53 8.157 3.828 6.453 1.00 0.00 H ATOM 500 HG2 MET A 53 7.264 2.330 4.703 1.00 0.00 H ATOM 501 HG3 MET A 53 5.897 1.892 5.754 1.00 0.00 H ATOM 502 HE1 MET A 53 9.496 1.325 4.788 1.00 0.00 H ATOM 503 HE2 MET A 53 9.746 2.293 6.262 1.00 0.00 H ATOM 504 HE3 MET A 53 10.257 0.588 6.219 1.00 0.00 H ATOM 505 H MET A 53 4.693 3.160 7.217 1.00 0.00 H ATOM 506 N HIS A 54 6.345 5.682 8.743 1.00 8.02 N ATOM 507 CA HIS A 54 6.656 6.898 9.468 1.00 8.94 C ATOM 508 C HIS A 54 6.721 6.612 10.981 1.00 9.66 C ATOM 509 O HIS A 54 7.688 6.969 11.653 1.00 9.99 O ATOM 510 CB HIS A 54 5.574 7.952 9.207 1.00 8.08 C ATOM 511 CG HIS A 54 5.599 9.091 10.180 1.00 12.02 C ATOM 512 ND1 HIS A 54 6.582 10.060 10.168 1.00 15.05 N ATOM 513 CD2 HIS A 54 4.797 9.377 11.235 1.00 12.55 C ATOM 514 CE1 HIS A 54 6.385 10.892 11.178 1.00 16.31 C ATOM 515 NE2 HIS A 54 5.310 10.500 11.838 1.00 16.45 N ATOM 516 HA HIS A 54 7.622 7.269 9.126 1.00 0.00 H ATOM 517 HB2 HIS A 54 5.718 8.352 8.203 1.00 0.00 H ATOM 518 HB3 HIS A 54 4.599 7.468 9.268 1.00 0.00 H ATOM 519 HD2 HIS A 54 3.912 8.821 11.546 1.00 0.00 H ATOM 520 HE1 HIS A 54 7.005 11.754 11.424 1.00 0.00 H ATOM 521 H HIS A 54 5.468 5.627 8.187 1.00 0.00 H ATOM 522 N TYR A 55 5.696 5.972 11.519 1.00 8.61 N ATOM 523 CA TYR A 55 5.713 5.732 12.959 1.00 8.16 C ATOM 524 C TYR A 55 6.760 4.695 13.385 1.00 7.82 C ATOM 525 O TYR A 55 7.332 4.815 14.458 1.00 10.43 O ATOM 526 CB TYR A 55 4.307 5.363 13.440 1.00 9.22 C ATOM 527 CG TYR A 55 3.347 6.530 13.383 1.00 10.44 C ATOM 528 CD1 TYR A 55 3.526 7.644 14.205 1.00 12.06 C ATOM 529 CD2 TYR A 55 2.266 6.524 12.499 1.00 13.36 C ATOM 530 CE1 TYR A 55 2.636 8.732 14.147 1.00 13.22 C ATOM 531 CE2 TYR A 55 1.387 7.586 12.429 1.00 15.77 C ATOM 532 CZ TYR A 55 1.570 8.683 13.251 1.00 18.07 C ATOM 533 OH TYR A 55 0.681 9.726 13.164 1.00 18.85 O ATOM 534 HA TYR A 55 6.018 6.659 13.445 1.00 0.00 H ATOM 535 HB3 TYR A 55 4.371 5.013 14.470 1.00 0.00 H ATOM 536 HB2 TYR A 55 3.921 4.562 12.809 1.00 0.00 H ATOM 537 HD2 TYR A 55 2.113 5.662 11.850 1.00 0.00 H ATOM 538 HE2 TYR A 55 0.552 7.560 11.729 1.00 0.00 H ATOM 539 HE1 TYR A 55 2.778 9.599 14.792 1.00 0.00 H ATOM 540 HD1 TYR A 55 4.365 7.671 14.900 1.00 0.00 H ATOM 541 HH TYR A 55 -0.230 9.401 13.377 1.00 0.00 H ATOM 542 H TYR A 55 4.900 5.649 10.933 1.00 0.00 H ATOM 543 N LEU A 56 7.052 3.712 12.537 1.00 9.27 N ATOM 544 CA LEU A 56 8.051 2.701 12.888 1.00 7.74 C ATOM 545 C LEU A 56 9.425 3.361 12.854 1.00 8.11 C ATOM 546 O LEU A 56 10.289 3.061 13.675 1.00 8.26 O ATOM 547 CB LEU A 56 7.986 1.529 11.911 1.00 7.73 C ATOM 548 CG LEU A 56 9.006 0.405 12.052 1.00 12.77 C ATOM 549 CD1 LEU A 56 9.014 -0.132 13.482 1.00 13.16 C ATOM 550 CD2 LEU A 56 8.641 -0.713 11.072 1.00 14.65 C ATOM 551 HA LEU A 56 7.856 2.307 13.885 1.00 0.00 H ATOM 552 HB2 LEU A 56 6.997 1.081 12.011 1.00 0.00 H ATOM 553 HB3 LEU A 56 8.097 1.940 10.908 1.00 0.00 H ATOM 554 HG LEU A 56 10.002 0.785 11.827 1.00 0.00 H ATOM 555 HD21 LEU A 56 7.643 -1.086 11.303 1.00 0.00 H ATOM 556 HD22 LEU A 56 8.657 -0.322 10.055 1.00 0.00 H ATOM 557 HD23 LEU A 56 9.363 -1.524 11.163 1.00 0.00 H ATOM 558 HD11 LEU A 56 9.275 0.673 14.169 1.00 0.00 H ATOM 559 HD12 LEU A 56 8.025 -0.517 13.730 1.00 0.00 H ATOM 560 HD13 LEU A 56 9.748 -0.934 13.564 1.00 0.00 H ATOM 561 H LEU A 56 6.567 3.662 11.618 1.00 0.00 H ATOM 562 N GLY A 57 9.610 4.292 11.921 1.00 7.16 N ATOM 563 CA GLY A 57 10.889 5.002 11.841 1.00 9.12 C ATOM 564 C GLY A 57 11.034 5.913 13.060 1.00 8.92 C ATOM 565 O GLY A 57 12.112 6.045 13.650 1.00 7.89 O ATOM 566 HA3 GLY A 57 10.917 5.602 10.931 1.00 0.00 H ATOM 567 HA2 GLY A 57 11.706 4.281 11.825 1.00 0.00 H ATOM 568 H GLY A 57 8.848 4.515 11.250 1.00 0.00 H ATOM 569 N GLN A 58 9.937 6.548 13.451 1.00 9.98 N ATOM 570 CA GLN A 58 9.973 7.435 14.623 1.00 11.50 C ATOM 571 C GLN A 58 10.298 6.623 15.881 1.00 9.82 C ATOM 572 O GLN A 58 11.016 7.084 16.773 1.00 11.83 O ATOM 573 CB GLN A 58 8.620 8.170 14.799 1.00 12.06 C ATOM 574 CG GLN A 58 8.431 9.339 13.848 1.00 17.30 C ATOM 575 CD GLN A 58 9.531 10.384 14.003 1.00 21.40 C ATOM 576 OE1 GLN A 58 9.800 10.842 15.107 1.00 21.17 O ATOM 577 NE2 GLN A 58 10.168 10.762 12.890 1.00 22.62 N ATOM 578 HA GLN A 58 10.751 8.183 14.467 1.00 0.00 H ATOM 579 HB2 GLN A 58 7.815 7.455 14.630 1.00 0.00 H ATOM 580 HB3 GLN A 58 8.562 8.545 15.821 1.00 0.00 H ATOM 581 HG2 GLN A 58 8.442 8.966 12.824 1.00 0.00 H ATOM 582 HG3 GLN A 58 7.468 9.808 14.053 1.00 0.00 H ATOM 583 HE22 GLN A 58 9.906 10.346 11.974 1.00 0.00 H ATOM 584 HE21 GLN A 58 10.926 11.472 12.940 1.00 0.00 H ATOM 585 H GLN A 58 9.048 6.418 12.927 1.00 0.00 H ATOM 586 N TYR A 59 9.761 5.410 15.946 1.00 7.72 N ATOM 587 CA TYR A 59 10.002 4.540 17.078 1.00 8.99 C ATOM 588 C TYR A 59 11.515 4.251 17.184 1.00 9.87 C ATOM 589 O TYR A 59 12.136 4.378 18.240 1.00 6.75 O ATOM 590 CB TYR A 59 9.242 3.229 16.871 1.00 8.71 C ATOM 591 CG TYR A 59 9.420 2.197 17.954 1.00 8.23 C ATOM 592 CD1 TYR A 59 8.651 2.237 19.125 1.00 11.45 C ATOM 593 CD2 TYR A 59 10.290 1.130 17.776 1.00 12.26 C ATOM 594 CE1 TYR A 59 8.750 1.228 20.076 1.00 12.37 C ATOM 595 CE2 TYR A 59 10.389 0.117 18.713 1.00 10.59 C ATOM 596 CZ TYR A 59 9.621 0.167 19.854 1.00 15.59 C ATOM 597 OH TYR A 59 9.722 -0.864 20.757 1.00 16.03 O ATOM 598 HA TYR A 59 9.660 5.019 17.995 1.00 0.00 H ATOM 599 HB3 TYR A 59 9.578 2.791 15.931 1.00 0.00 H ATOM 600 HB2 TYR A 59 8.180 3.464 16.802 1.00 0.00 H ATOM 601 HD2 TYR A 59 10.908 1.089 16.879 1.00 0.00 H ATOM 602 HE2 TYR A 59 11.072 -0.717 18.548 1.00 0.00 H ATOM 603 HE1 TYR A 59 8.151 1.268 20.986 1.00 0.00 H ATOM 604 HD1 TYR A 59 7.967 3.069 19.292 1.00 0.00 H ATOM 605 HH TYR A 59 10.655 -0.927 21.082 1.00 0.00 H ATOM 606 H TYR A 59 9.155 5.078 15.168 1.00 0.00 H ATOM 607 N ILE A 60 12.103 3.847 16.070 1.00 8.11 N ATOM 608 CA ILE A 60 13.521 3.554 16.047 1.00 8.14 C ATOM 609 C ILE A 60 14.367 4.778 16.391 1.00 11.16 C ATOM 610 O ILE A 60 15.364 4.662 17.116 1.00 11.22 O ATOM 611 CB ILE A 60 13.920 2.994 14.654 1.00 7.29 C ATOM 612 CG1 ILE A 60 13.296 1.598 14.497 1.00 7.84 C ATOM 613 CG2 ILE A 60 15.447 2.955 14.498 1.00 8.14 C ATOM 614 CD1 ILE A 60 13.306 1.096 13.073 1.00 6.25 C ATOM 615 HA ILE A 60 13.718 2.803 16.812 1.00 0.00 H ATOM 616 HB ILE A 60 13.543 3.646 13.866 1.00 0.00 H ATOM 617 HG12 ILE A 60 13.856 0.897 15.115 1.00 0.00 H ATOM 618 HG13 ILE A 60 12.263 1.640 14.842 1.00 0.00 H ATOM 619 HD11 ILE A 60 12.740 1.782 12.443 1.00 0.00 H ATOM 620 HD12 ILE A 60 14.334 1.039 12.717 1.00 0.00 H ATOM 621 HD13 ILE A 60 12.851 0.106 13.035 1.00 0.00 H ATOM 622 HG21 ILE A 60 15.847 3.964 14.599 1.00 0.00 H ATOM 623 HG22 ILE A 60 15.874 2.314 15.270 1.00 0.00 H ATOM 624 HG23 ILE A 60 15.700 2.559 13.515 1.00 0.00 H ATOM 625 H ILE A 60 11.541 3.739 15.202 1.00 0.00 H ATOM 626 N MET A 61 13.962 5.945 15.894 1.00 9.17 N ATOM 627 CA MET A 61 14.697 7.182 16.145 1.00 13.12 C ATOM 628 C MET A 61 14.645 7.637 17.596 1.00 13.00 C ATOM 629 O MET A 61 15.680 7.815 18.232 1.00 14.56 O ATOM 630 CB MET A 61 14.168 8.330 15.275 1.00 15.75 C ATOM 631 CG MET A 61 14.450 8.168 13.808 1.00 21.88 C ATOM 632 SD MET A 61 13.991 9.642 12.836 1.00 36.60 S ATOM 633 CE MET A 61 12.783 8.938 11.663 1.00 32.45 C ATOM 634 HA MET A 61 15.731 6.947 15.893 1.00 0.00 H ATOM 635 HB2 MET A 61 13.088 8.394 15.411 1.00 0.00 H ATOM 636 HB3 MET A 61 14.631 9.257 15.613 1.00 0.00 H ATOM 637 HG2 MET A 61 13.884 7.314 13.436 1.00 0.00 H ATOM 638 HG3 MET A 61 15.516 7.981 13.676 1.00 0.00 H ATOM 639 HE1 MET A 61 13.265 8.161 11.069 1.00 0.00 H ATOM 640 HE2 MET A 61 11.948 8.508 12.217 1.00 0.00 H ATOM 641 HE3 MET A 61 12.416 9.725 11.005 1.00 0.00 H ATOM 642 H MET A 61 13.100 5.977 15.312 1.00 0.00 H ATOM 643 N VAL A 62 13.441 7.807 18.128 1.00 12.75 N ATOM 644 CA VAL A 62 13.343 8.300 19.497 1.00 14.04 C ATOM 645 C VAL A 62 13.871 7.306 20.532 1.00 16.53 C ATOM 646 O VAL A 62 14.398 7.714 21.562 1.00 18.85 O ATOM 647 CB VAL A 62 11.895 8.751 19.862 1.00 13.59 C ATOM 648 CG1 VAL A 62 11.287 9.519 18.673 1.00 14.70 C ATOM 649 CG2 VAL A 62 11.034 7.566 20.283 1.00 18.93 C ATOM 650 HA VAL A 62 13.990 9.177 19.532 1.00 0.00 H ATOM 651 HB VAL A 62 11.932 9.420 20.722 1.00 0.00 H ATOM 652 HG11 VAL A 62 11.899 10.394 18.456 1.00 0.00 H ATOM 653 HG12 VAL A 62 11.258 8.869 17.799 1.00 0.00 H ATOM 654 HG13 VAL A 62 10.275 9.835 18.926 1.00 0.00 H ATOM 655 HG21 VAL A 62 10.978 6.850 19.463 1.00 0.00 H ATOM 656 HG22 VAL A 62 11.479 7.087 21.156 1.00 0.00 H ATOM 657 HG23 VAL A 62 10.032 7.916 20.530 1.00 0.00 H ATOM 658 H VAL A 62 12.584 7.593 17.579 1.00 0.00 H ATOM 659 N LYS A 63 13.752 6.009 20.265 1.00 12.83 N ATOM 660 CA LYS A 63 14.279 5.030 21.234 1.00 13.75 C ATOM 661 C LYS A 63 15.780 4.913 20.977 1.00 13.42 C ATOM 662 O LYS A 63 16.492 4.240 21.705 1.00 11.89 O ATOM 663 CB LYS A 63 13.627 3.648 21.068 1.00 14.41 C ATOM 664 CG LYS A 63 12.123 3.635 21.314 1.00 22.73 C ATOM 665 CD LYS A 63 11.680 2.715 22.454 1.00 25.88 C ATOM 666 CE LYS A 63 11.994 1.257 22.208 1.00 27.85 C ATOM 667 NZ LYS A 63 11.235 0.376 23.178 1.00 28.74 N ATOM 668 HA LYS A 63 14.061 5.368 22.247 1.00 0.00 H ATOM 669 HB2 LYS A 63 13.811 3.303 20.051 1.00 0.00 H ATOM 670 HB3 LYS A 63 14.095 2.961 21.773 1.00 0.00 H ATOM 671 HG2 LYS A 63 11.807 4.651 21.552 1.00 0.00 H ATOM 672 HG3 LYS A 63 11.630 3.307 20.399 1.00 0.00 H ATOM 673 HD2 LYS A 63 12.186 3.028 23.367 1.00 0.00 H ATOM 674 HD3 LYS A 63 10.603 2.819 22.583 1.00 0.00 H ATOM 675 HE2 LYS A 63 13.064 1.094 22.338 1.00 0.00 H ATOM 676 HE3 LYS A 63 11.709 0.996 21.189 1.00 0.00 H ATOM 677 HZ1 LYS A 63 11.507 0.620 24.152 1.00 0.00 H ATOM 678 HZ2 LYS A 63 10.213 0.526 23.054 1.00 0.00 H ATOM 679 HZ3 LYS A 63 11.465 -0.621 22.992 1.00 0.00 H ATOM 680 H LYS A 63 13.295 5.690 19.387 1.00 0.00 H ATOM 681 N GLN A 64 16.250 5.584 19.938 1.00 12.86 N ATOM 682 CA GLN A 64 17.655 5.550 19.549 1.00 14.52 C ATOM 683 C GLN A 64 18.203 4.127 19.456 1.00 12.20 C ATOM 684 O GLN A 64 19.230 3.814 20.033 1.00 10.65 O ATOM 685 CB GLN A 64 18.516 6.407 20.495 1.00 17.61 C ATOM 686 CG GLN A 64 18.382 7.915 20.173 1.00 22.07 C ATOM 687 CD GLN A 64 18.757 8.829 21.332 1.00 29.17 C ATOM 688 OE1 GLN A 64 18.653 10.052 21.219 1.00 31.91 O ATOM 689 NE2 GLN A 64 19.195 8.247 22.446 1.00 32.06 N ATOM 690 HA GLN A 64 17.711 5.979 18.548 1.00 0.00 H ATOM 691 HB2 GLN A 64 18.194 6.234 21.522 1.00 0.00 H ATOM 692 HB3 GLN A 64 19.560 6.113 20.388 1.00 0.00 H ATOM 693 HG2 GLN A 64 19.033 8.145 19.329 1.00 0.00 H ATOM 694 HG3 GLN A 64 17.347 8.117 19.897 1.00 0.00 H ATOM 695 HE22 GLN A 64 19.267 7.211 22.498 1.00 0.00 H ATOM 696 HE21 GLN A 64 19.465 8.828 23.265 1.00 0.00 H ATOM 697 H GLN A 64 15.591 6.159 19.376 1.00 0.00 H ATOM 698 N LEU A 65 17.512 3.275 18.703 1.00 10.07 N ATOM 699 CA LEU A 65 17.948 1.897 18.509 1.00 10.63 C ATOM 700 C LEU A 65 18.987 1.780 17.384 1.00 9.71 C ATOM 701 O LEU A 65 19.688 0.775 17.275 1.00 10.38 O ATOM 702 CB LEU A 65 16.756 0.999 18.158 1.00 11.19 C ATOM 703 CG LEU A 65 15.594 0.990 19.163 1.00 11.07 C ATOM 704 CD1 LEU A 65 14.462 0.122 18.639 1.00 12.26 C ATOM 705 CD2 LEU A 65 16.093 0.446 20.512 1.00 14.05 C ATOM 706 HA LEU A 65 18.401 1.576 19.447 1.00 0.00 H ATOM 707 HB2 LEU A 65 16.362 1.329 17.197 1.00 0.00 H ATOM 708 HB3 LEU A 65 17.125 -0.023 18.066 1.00 0.00 H ATOM 709 HG LEU A 65 15.223 2.006 19.298 1.00 0.00 H ATOM 710 HD21 LEU A 65 16.467 -0.569 20.377 1.00 0.00 H ATOM 711 HD22 LEU A 65 16.894 1.084 20.885 1.00 0.00 H ATOM 712 HD23 LEU A 65 15.270 0.439 21.226 1.00 0.00 H ATOM 713 HD11 LEU A 65 14.111 0.520 17.687 1.00 0.00 H ATOM 714 HD12 LEU A 65 14.823 -0.897 18.497 1.00 0.00 H ATOM 715 HD13 LEU A 65 13.643 0.122 19.358 1.00 0.00 H ATOM 716 H LEU A 65 16.639 3.600 18.241 1.00 0.00 H ATOM 717 N TYR A 66 19.089 2.795 16.542 1.00 9.03 N ATOM 718 CA TYR A 66 20.057 2.721 15.450 1.00 11.59 C ATOM 719 C TYR A 66 21.493 2.869 15.961 1.00 13.50 C ATOM 720 O TYR A 66 21.723 3.449 17.022 1.00 12.49 O ATOM 721 CB TYR A 66 19.753 3.794 14.396 1.00 11.42 C ATOM 722 CG TYR A 66 19.783 5.200 14.926 1.00 13.20 C ATOM 723 CD1 TYR A 66 20.975 5.923 14.969 1.00 12.24 C ATOM 724 CD2 TYR A 66 18.621 5.799 15.430 1.00 12.03 C ATOM 725 CE1 TYR A 66 21.017 7.212 15.502 1.00 12.84 C ATOM 726 CE2 TYR A 66 18.653 7.078 15.966 1.00 13.30 C ATOM 727 CZ TYR A 66 19.854 7.781 16.000 1.00 14.46 C ATOM 728 OH TYR A 66 19.905 9.044 16.551 1.00 14.90 O ATOM 729 HA TYR A 66 19.967 1.736 14.991 1.00 0.00 H ATOM 730 HB3 TYR A 66 18.760 3.603 13.988 1.00 0.00 H ATOM 731 HB2 TYR A 66 20.493 3.712 13.600 1.00 0.00 H ATOM 732 HD2 TYR A 66 17.679 5.252 15.400 1.00 0.00 H ATOM 733 HE2 TYR A 66 17.742 7.530 16.359 1.00 0.00 H ATOM 734 HE1 TYR A 66 21.955 7.767 15.527 1.00 0.00 H ATOM 735 HD1 TYR A 66 21.889 5.474 14.580 1.00 0.00 H ATOM 736 HH TYR A 66 20.830 9.392 16.491 1.00 0.00 H ATOM 737 H TYR A 66 18.487 3.636 16.656 1.00 0.00 H ATOM 738 N ASP A 67 22.444 2.320 15.211 1.00 10.81 N ATOM 739 CA ASP A 67 23.877 2.381 15.524 1.00 11.36 C ATOM 740 C ASP A 67 24.343 3.839 15.315 1.00 13.09 C ATOM 741 O ASP A 67 24.150 4.421 14.253 1.00 11.71 O ATOM 742 CB ASP A 67 24.605 1.401 14.585 1.00 14.02 C ATOM 743 CG ASP A 67 26.122 1.398 14.777 1.00 17.43 C ATOM 744 OD1 ASP A 67 26.734 0.333 14.562 1.00 19.96 O ATOM 745 OD2 ASP A 67 26.695 2.449 15.106 1.00 16.58 O ATOM 746 HA ASP A 67 24.094 2.095 16.553 1.00 0.00 H ATOM 747 HB2 ASP A 67 24.229 0.395 14.774 1.00 0.00 H ATOM 748 HB3 ASP A 67 24.386 1.681 13.554 1.00 0.00 H ATOM 749 H ASP A 67 22.154 1.816 14.349 1.00 0.00 H ATOM 750 N GLN A 68 24.924 4.441 16.347 1.00 11.51 N ATOM 751 CA GLN A 68 25.355 5.832 16.272 1.00 11.63 C ATOM 752 C GLN A 68 26.383 6.106 15.179 1.00 11.37 C ATOM 753 O GLN A 68 26.351 7.162 14.552 1.00 10.66 O ATOM 754 CB GLN A 68 25.929 6.269 17.628 1.00 11.34 C ATOM 755 CG GLN A 68 26.488 7.675 17.666 1.00 15.98 C ATOM 756 CD GLN A 68 25.432 8.747 17.409 1.00 18.96 C ATOM 757 OE1 GLN A 68 24.266 8.580 17.762 1.00 17.35 O ATOM 758 NE2 GLN A 68 25.849 9.861 16.804 1.00 19.95 N ATOM 759 HA GLN A 68 24.467 6.410 16.015 1.00 0.00 H ATOM 760 HB2 GLN A 68 25.133 6.202 18.369 1.00 0.00 H ATOM 761 HB3 GLN A 68 26.730 5.580 17.894 1.00 0.00 H ATOM 762 HG2 GLN A 68 26.926 7.848 18.649 1.00 0.00 H ATOM 763 HG3 GLN A 68 27.263 7.761 16.904 1.00 0.00 H ATOM 764 HE22 GLN A 68 26.846 9.958 16.523 1.00 0.00 H ATOM 765 HE21 GLN A 68 25.177 10.632 16.614 1.00 0.00 H ATOM 766 H GLN A 68 25.075 3.909 17.228 1.00 0.00 H ATOM 767 N GLN A 69 27.286 5.157 14.937 1.00 12.11 N ATOM 768 CA GLN A 69 28.340 5.354 13.919 1.00 11.27 C ATOM 769 C GLN A 69 27.967 4.940 12.501 1.00 13.75 C ATOM 770 O GLN A 69 28.500 5.485 11.541 1.00 12.68 O ATOM 771 CB GLN A 69 29.616 4.585 14.294 1.00 13.30 C ATOM 772 CG GLN A 69 30.204 4.906 15.653 1.00 15.42 C ATOM 773 CD GLN A 69 31.455 4.090 15.970 1.00 13.85 C ATOM 774 OE1 GLN A 69 32.439 4.627 16.462 1.00 16.13 O ATOM 775 NE2 GLN A 69 31.413 2.785 15.703 1.00 18.91 N ATOM 776 HA GLN A 69 28.492 6.433 13.917 1.00 0.00 H ATOM 777 HB2 GLN A 69 29.384 3.520 14.273 1.00 0.00 H ATOM 778 HB3 GLN A 69 30.373 4.805 13.541 1.00 0.00 H ATOM 779 HG2 GLN A 69 30.464 5.964 15.678 1.00 0.00 H ATOM 780 HG3 GLN A 69 29.452 4.699 16.415 1.00 0.00 H ATOM 781 HE22 GLN A 69 30.557 2.367 15.285 1.00 0.00 H ATOM 782 HE21 GLN A 69 32.236 2.185 15.913 1.00 0.00 H ATOM 783 H GLN A 69 27.249 4.266 15.471 1.00 0.00 H ATOM 784 N GLU A 70 27.106 3.935 12.372 1.00 12.29 N ATOM 785 CA GLU A 70 26.669 3.462 11.063 1.00 11.83 C ATOM 786 C GLU A 70 25.157 3.452 11.215 1.00 12.18 C ATOM 787 O GLU A 70 24.571 2.435 11.562 1.00 12.68 O ATOM 788 CB GLU A 70 27.217 2.061 10.808 1.00 15.03 C ATOM 789 CG GLU A 70 28.750 2.051 10.778 1.00 22.10 C ATOM 790 CD GLU A 70 29.332 0.772 10.215 1.00 30.10 C ATOM 791 OE1 GLU A 70 29.235 0.557 8.991 1.00 34.98 O ATOM 792 OE2 GLU A 70 29.877 -0.024 11.001 1.00 31.10 O ATOM 793 HA GLU A 70 27.009 4.069 10.224 1.00 0.00 H ATOM 794 HB2 GLU A 70 26.874 1.397 11.601 1.00 0.00 H ATOM 795 HB3 GLU A 70 26.842 1.703 9.849 1.00 0.00 H ATOM 796 HG2 GLU A 70 29.089 2.885 10.164 1.00 0.00 H ATOM 797 HG3 GLU A 70 29.117 2.179 11.797 1.00 0.00 H ATOM 798 H GLU A 70 26.734 3.474 13.227 1.00 0.00 H ATOM 799 N GLN A 71 24.544 4.596 10.940 1.00 12.69 N ATOM 800 CA GLN A 71 23.123 4.757 11.182 1.00 12.66 C ATOM 801 C GLN A 71 22.135 3.969 10.354 1.00 13.96 C ATOM 802 O GLN A 71 20.929 4.038 10.620 1.00 12.14 O ATOM 803 CB GLN A 71 22.785 6.253 11.226 1.00 11.56 C ATOM 804 CG GLN A 71 23.735 6.992 12.213 1.00 13.13 C ATOM 805 CD GLN A 71 23.128 8.247 12.815 1.00 10.27 C ATOM 806 OE1 GLN A 71 22.021 8.653 12.446 1.00 13.35 O ATOM 807 NE2 GLN A 71 23.856 8.880 13.751 1.00 11.65 N ATOM 808 HA GLN A 71 22.974 4.275 12.148 1.00 0.00 H ATOM 809 HB2 GLN A 71 22.901 6.678 10.229 1.00 0.00 H ATOM 810 HB3 GLN A 71 21.754 6.380 11.556 1.00 0.00 H ATOM 811 HG2 GLN A 71 23.990 6.309 13.023 1.00 0.00 H ATOM 812 HG3 GLN A 71 24.642 7.271 11.676 1.00 0.00 H ATOM 813 HE22 GLN A 71 24.784 8.503 14.032 1.00 0.00 H ATOM 814 HE21 GLN A 71 23.492 9.747 14.195 1.00 0.00 H ATOM 815 H GLN A 71 25.090 5.388 10.545 1.00 0.00 H ATOM 816 N HIS A 72 22.621 3.197 9.384 1.00 10.40 N ATOM 817 CA HIS A 72 21.717 2.355 8.614 1.00 14.03 C ATOM 818 C HIS A 72 21.453 1.073 9.412 1.00 13.91 C ATOM 819 O HIS A 72 20.561 0.307 9.065 1.00 11.76 O ATOM 820 CB HIS A 72 22.307 1.958 7.255 1.00 12.37 C ATOM 821 CG HIS A 72 23.613 1.237 7.346 1.00 14.51 C ATOM 822 ND1 HIS A 72 24.802 1.885 7.595 1.00 17.42 N ATOM 823 CD2 HIS A 72 23.920 -0.076 7.213 1.00 16.57 C ATOM 824 CE1 HIS A 72 25.788 1.003 7.609 1.00 13.96 C ATOM 825 NE2 HIS A 72 25.281 -0.192 7.379 1.00 18.18 N ATOM 826 HA HIS A 72 20.803 2.922 8.435 1.00 0.00 H ATOM 827 HB2 HIS A 72 21.592 1.310 6.747 1.00 0.00 H ATOM 828 HB3 HIS A 72 22.456 2.864 6.668 1.00 0.00 H ATOM 829 HD2 HIS A 72 23.221 -0.888 7.012 1.00 0.00 H ATOM 830 HE1 HIS A 72 26.841 1.226 7.781 1.00 0.00 H ATOM 831 H HIS A 72 23.640 3.196 9.178 1.00 0.00 H ATOM 832 N MET A 73 22.253 0.837 10.455 1.00 11.13 N ATOM 833 CA MET A 73 22.105 -0.357 11.274 1.00 11.60 C ATOM 834 C MET A 73 21.210 -0.089 12.478 1.00 11.27 C ATOM 835 O MET A 73 21.323 0.944 13.145 1.00 12.13 O ATOM 836 CB MET A 73 23.463 -0.866 11.782 1.00 13.36 C ATOM 837 CG MET A 73 24.443 -1.289 10.702 1.00 15.50 C ATOM 838 SD MET A 73 23.861 -2.727 9.804 1.00 20.31 S ATOM 839 CE MET A 73 23.571 -3.824 11.063 1.00 19.74 C ATOM 840 HA MET A 73 21.651 -1.116 10.637 1.00 0.00 H ATOM 841 HB2 MET A 73 23.926 -0.069 12.363 1.00 0.00 H ATOM 842 HB3 MET A 73 23.281 -1.725 12.427 1.00 0.00 H ATOM 843 HG2 MET A 73 25.400 -1.526 11.166 1.00 0.00 H ATOM 844 HG3 MET A 73 24.575 -0.464 10.002 1.00 0.00 H ATOM 845 HE1 MET A 73 24.498 -4.003 11.608 1.00 0.00 H ATOM 846 HE2 MET A 73 22.825 -3.409 11.740 1.00 0.00 H ATOM 847 HE3 MET A 73 23.205 -4.763 10.648 1.00 0.00 H ATOM 848 H MET A 73 23.000 1.523 10.688 1.00 0.00 H ATOM 849 N VAL A 74 20.320 -1.039 12.733 1.00 10.89 N ATOM 850 CA VAL A 74 19.398 -0.955 13.857 1.00 11.56 C ATOM 851 C VAL A 74 19.615 -2.168 14.774 1.00 10.26 C ATOM 852 O VAL A 74 19.597 -3.331 14.321 1.00 11.38 O ATOM 853 CB VAL A 74 17.902 -0.925 13.372 1.00 9.67 C ATOM 854 CG1 VAL A 74 16.965 -0.927 14.589 1.00 8.22 C ATOM 855 CG2 VAL A 74 17.629 0.355 12.549 1.00 13.46 C ATOM 856 HA VAL A 74 19.595 -0.029 14.397 1.00 0.00 H ATOM 857 HB VAL A 74 17.723 -1.804 12.753 1.00 0.00 H ATOM 858 HG11 VAL A 74 17.137 -1.828 15.177 1.00 0.00 H ATOM 859 HG12 VAL A 74 17.165 -0.048 15.202 1.00 0.00 H ATOM 860 HG13 VAL A 74 15.930 -0.906 14.249 1.00 0.00 H ATOM 861 HG21 VAL A 74 17.820 1.231 13.168 1.00 0.00 H ATOM 862 HG22 VAL A 74 18.286 0.373 11.679 1.00 0.00 H ATOM 863 HG23 VAL A 74 16.589 0.360 12.221 1.00 0.00 H ATOM 864 H VAL A 74 20.279 -1.871 12.110 1.00 0.00 H ATOM 865 N TYR A 75 19.853 -1.907 16.056 1.00 11.40 N ATOM 866 CA TYR A 75 20.039 -2.987 17.033 1.00 12.00 C ATOM 867 C TYR A 75 18.806 -3.014 17.911 1.00 13.03 C ATOM 868 O TYR A 75 18.471 -2.025 18.564 1.00 12.28 O ATOM 869 CB TYR A 75 21.307 -2.778 17.873 1.00 14.66 C ATOM 870 CG TYR A 75 22.551 -3.061 17.065 1.00 13.71 C ATOM 871 CD1 TYR A 75 23.139 -2.068 16.273 1.00 14.90 C ATOM 872 CD2 TYR A 75 23.070 -4.352 16.997 1.00 15.40 C ATOM 873 CE1 TYR A 75 24.215 -2.357 15.422 1.00 13.29 C ATOM 874 CE2 TYR A 75 24.136 -4.654 16.154 1.00 14.86 C ATOM 875 CZ TYR A 75 24.704 -3.659 15.366 1.00 16.82 C ATOM 876 OH TYR A 75 25.747 -4.003 14.520 1.00 15.02 O ATOM 877 HA TYR A 75 20.167 -3.939 16.518 1.00 0.00 H ATOM 878 HB3 TYR A 75 21.280 -3.449 18.731 1.00 0.00 H ATOM 879 HB2 TYR A 75 21.337 -1.746 18.222 1.00 0.00 H ATOM 880 HD2 TYR A 75 22.635 -5.138 17.614 1.00 0.00 H ATOM 881 HE2 TYR A 75 24.526 -5.671 16.112 1.00 0.00 H ATOM 882 HE1 TYR A 75 24.663 -1.572 14.812 1.00 0.00 H ATOM 883 HD1 TYR A 75 22.753 -1.050 16.319 1.00 0.00 H ATOM 884 HH TYR A 75 26.048 -3.200 14.026 1.00 0.00 H ATOM 885 H TYR A 75 19.908 -0.918 16.373 1.00 0.00 H ATOM 886 N CYS A 76 18.135 -4.159 17.921 1.00 12.80 N ATOM 887 CA CYS A 76 16.895 -4.299 18.661 1.00 13.01 C ATOM 888 C CYS A 76 16.767 -5.548 19.527 1.00 11.81 C ATOM 889 O CYS A 76 15.649 -6.025 19.757 1.00 13.27 O ATOM 890 CB CYS A 76 15.739 -4.261 17.668 1.00 14.30 C ATOM 891 SG CYS A 76 16.010 -5.327 16.209 1.00 17.87 S ATOM 892 HA CYS A 76 16.880 -3.469 19.367 1.00 0.00 H ATOM 893 HB2 CYS A 76 15.608 -3.234 17.328 1.00 0.00 H ATOM 894 HB3 CYS A 76 14.834 -4.593 18.177 1.00 0.00 H ATOM 895 HG CYS A 76 16.166 -6.635 16.620 1.00 0.00 H ATOM 896 H CYS A 76 18.505 -4.972 17.388 1.00 0.00 H ATOM 897 N GLY A 77 17.887 -6.070 20.001 1.00 11.51 N ATOM 898 CA GLY A 77 17.824 -7.262 20.837 1.00 12.07 C ATOM 899 C GLY A 77 17.116 -6.901 22.128 1.00 11.94 C ATOM 900 O GLY A 77 17.459 -5.892 22.743 1.00 13.83 O ATOM 901 HA3 GLY A 77 18.833 -7.613 21.055 1.00 0.00 H ATOM 902 HA2 GLY A 77 17.271 -8.046 20.320 1.00 0.00 H ATOM 903 H GLY A 77 18.804 -5.633 19.779 1.00 0.00 H ATOM 904 N GLY A 78 16.124 -7.704 22.527 1.00 10.80 N ATOM 905 CA GLY A 78 15.387 -7.432 23.750 1.00 13.15 C ATOM 906 C GLY A 78 14.278 -6.409 23.592 1.00 11.64 C ATOM 907 O GLY A 78 13.567 -6.101 24.552 1.00 11.88 O ATOM 908 HA3 GLY A 78 16.089 -7.063 24.498 1.00 0.00 H ATOM 909 HA2 GLY A 78 14.945 -8.365 24.098 1.00 0.00 H ATOM 910 H GLY A 78 15.876 -8.536 21.954 1.00 0.00 H ATOM 911 N ASP A 79 14.141 -5.854 22.388 1.00 12.45 N ATOM 912 CA ASP A 79 13.077 -4.874 22.135 1.00 14.16 C ATOM 913 C ASP A 79 11.934 -5.632 21.460 1.00 12.20 C ATOM 914 O ASP A 79 12.178 -6.622 20.770 1.00 12.63 O ATOM 915 CB ASP A 79 13.587 -3.754 21.199 1.00 13.93 C ATOM 916 CG ASP A 79 12.605 -2.599 21.085 1.00 16.03 C ATOM 917 OD1 ASP A 79 12.796 -1.598 21.810 1.00 15.04 O ATOM 918 OD2 ASP A 79 11.633 -2.704 20.291 1.00 14.82 O ATOM 919 HA ASP A 79 12.751 -4.408 23.065 1.00 0.00 H ATOM 920 HB2 ASP A 79 14.531 -3.374 21.590 1.00 0.00 H ATOM 921 HB3 ASP A 79 13.750 -4.174 20.207 1.00 0.00 H ATOM 922 H ASP A 79 14.793 -6.117 21.622 1.00 0.00 H ATOM 923 N LEU A 80 10.691 -5.186 21.645 1.00 12.67 N ATOM 924 CA LEU A 80 9.563 -5.855 20.988 1.00 13.20 C ATOM 925 C LEU A 80 9.782 -5.877 19.472 1.00 12.98 C ATOM 926 O LEU A 80 9.373 -6.812 18.782 1.00 13.67 O ATOM 927 CB LEU A 80 8.251 -5.139 21.318 1.00 15.58 C ATOM 928 CG LEU A 80 6.952 -5.678 20.681 1.00 17.91 C ATOM 929 CD1 LEU A 80 6.736 -7.147 21.055 1.00 18.96 C ATOM 930 CD2 LEU A 80 5.776 -4.833 21.169 1.00 20.18 C ATOM 931 HA LEU A 80 9.501 -6.879 21.355 1.00 0.00 H ATOM 932 HB2 LEU A 80 8.123 -5.179 22.400 1.00 0.00 H ATOM 933 HB3 LEU A 80 8.360 -4.101 21.004 1.00 0.00 H ATOM 934 HG LEU A 80 7.029 -5.614 19.596 1.00 0.00 H ATOM 935 HD21 LEU A 80 5.710 -4.898 22.255 1.00 0.00 H ATOM 936 HD22 LEU A 80 5.929 -3.795 20.874 1.00 0.00 H ATOM 937 HD23 LEU A 80 4.853 -5.206 20.725 1.00 0.00 H ATOM 938 HD11 LEU A 80 7.578 -7.739 20.696 1.00 0.00 H ATOM 939 HD12 LEU A 80 6.662 -7.238 22.139 1.00 0.00 H ATOM 940 HD13 LEU A 80 5.815 -7.506 20.595 1.00 0.00 H ATOM 941 H LEU A 80 10.521 -4.362 22.256 1.00 0.00 H ATOM 942 N LEU A 81 10.460 -4.862 18.948 1.00 11.67 N ATOM 943 CA LEU A 81 10.727 -4.823 17.518 1.00 10.69 C ATOM 944 C LEU A 81 11.579 -6.030 17.121 1.00 10.87 C ATOM 945 O LEU A 81 11.403 -6.588 16.041 1.00 13.50 O ATOM 946 CB LEU A 81 11.447 -3.516 17.145 1.00 10.91 C ATOM 947 CG LEU A 81 11.822 -3.394 15.656 1.00 10.77 C ATOM 948 CD1 LEU A 81 10.539 -3.507 14.835 1.00 12.56 C ATOM 949 CD2 LEU A 81 12.538 -2.060 15.379 1.00 11.81 C ATOM 950 HA LEU A 81 9.781 -4.861 16.978 1.00 0.00 H ATOM 951 HB2 LEU A 81 10.793 -2.682 17.401 1.00 0.00 H ATOM 952 HB3 LEU A 81 12.363 -3.452 17.733 1.00 0.00 H ATOM 953 HG LEU A 81 12.512 -4.191 15.378 1.00 0.00 H ATOM 954 HD21 LEU A 81 11.879 -1.233 15.644 1.00 0.00 H ATOM 955 HD22 LEU A 81 13.448 -2.007 15.976 1.00 0.00 H ATOM 956 HD23 LEU A 81 12.792 -1.998 14.321 1.00 0.00 H ATOM 957 HD11 LEU A 81 10.070 -4.472 15.028 1.00 0.00 H ATOM 958 HD12 LEU A 81 9.856 -2.706 15.118 1.00 0.00 H ATOM 959 HD13 LEU A 81 10.779 -3.423 13.775 1.00 0.00 H ATOM 960 H LEU A 81 10.801 -4.094 19.561 1.00 0.00 H ATOM 961 N GLY A 82 12.530 -6.404 17.985 1.00 12.50 N ATOM 962 CA GLY A 82 13.381 -7.556 17.726 1.00 13.98 C ATOM 963 C GLY A 82 12.586 -8.848 17.772 1.00 14.66 C ATOM 964 O GLY A 82 12.861 -9.770 17.001 1.00 15.95 O ATOM 965 HA3 GLY A 82 14.167 -7.595 18.481 1.00 0.00 H ATOM 966 HA2 GLY A 82 13.832 -7.451 16.739 1.00 0.00 H ATOM 967 H GLY A 82 12.664 -5.859 18.861 1.00 0.00 H ATOM 968 N GLU A 83 11.602 -8.932 18.666 1.00 15.29 N ATOM 969 CA GLU A 83 10.790 -10.142 18.717 1.00 19.06 C ATOM 970 C GLU A 83 10.013 -10.252 17.405 1.00 19.50 C ATOM 971 O GLU A 83 9.893 -11.335 16.834 1.00 20.36 O ATOM 972 CB GLU A 83 9.810 -10.115 19.893 1.00 21.43 C ATOM 973 CG GLU A 83 10.449 -10.052 21.257 1.00 24.74 C ATOM 974 CD GLU A 83 11.487 -11.140 21.480 1.00 26.95 C ATOM 975 OE1 GLU A 83 11.362 -12.239 20.888 1.00 28.21 O ATOM 976 OE2 GLU A 83 12.424 -10.894 22.261 1.00 28.77 O ATOM 977 HA GLU A 83 11.446 -11.002 18.856 1.00 0.00 H ATOM 978 HB2 GLU A 83 9.170 -9.240 19.779 1.00 0.00 H ATOM 979 HB3 GLU A 83 9.201 -11.018 19.846 1.00 0.00 H ATOM 980 HG2 GLU A 83 10.933 -9.082 21.369 1.00 0.00 H ATOM 981 HG3 GLU A 83 9.669 -10.157 22.011 1.00 0.00 H ATOM 982 H GLU A 83 11.415 -8.145 19.319 1.00 0.00 H ATOM 983 N LEU A 84 9.492 -9.135 16.911 1.00 16.47 N ATOM 984 CA LEU A 84 8.750 -9.177 15.650 1.00 15.32 C ATOM 985 C LEU A 84 9.646 -9.566 14.485 1.00 16.56 C ATOM 986 O LEU A 84 9.241 -10.325 13.594 1.00 15.92 O ATOM 987 CB LEU A 84 8.102 -7.821 15.357 1.00 14.82 C ATOM 988 CG LEU A 84 6.889 -7.509 16.230 1.00 16.03 C ATOM 989 CD1 LEU A 84 6.325 -6.134 15.874 1.00 16.93 C ATOM 990 CD2 LEU A 84 5.829 -8.574 16.019 1.00 17.81 C ATOM 991 HA LEU A 84 7.975 -9.935 15.761 1.00 0.00 H ATOM 992 HB2 LEU A 84 8.848 -7.043 15.517 1.00 0.00 H ATOM 993 HB3 LEU A 84 7.785 -7.811 14.314 1.00 0.00 H ATOM 994 HG LEU A 84 7.192 -7.502 17.277 1.00 0.00 H ATOM 995 HD21 LEU A 84 5.531 -8.585 14.971 1.00 0.00 H ATOM 996 HD22 LEU A 84 6.235 -9.548 16.293 1.00 0.00 H ATOM 997 HD23 LEU A 84 4.963 -8.351 16.642 1.00 0.00 H ATOM 998 HD11 LEU A 84 7.090 -5.375 16.039 1.00 0.00 H ATOM 999 HD12 LEU A 84 6.024 -6.126 14.826 1.00 0.00 H ATOM 1000 HD13 LEU A 84 5.460 -5.923 16.503 1.00 0.00 H ATOM 1001 H LEU A 84 9.611 -8.235 17.418 1.00 0.00 H ATOM 1002 N LEU A 85 10.872 -9.057 14.499 1.00 16.56 N ATOM 1003 CA LEU A 85 11.817 -9.354 13.432 1.00 19.12 C ATOM 1004 C LEU A 85 12.455 -10.734 13.548 1.00 21.11 C ATOM 1005 O LEU A 85 12.904 -11.292 12.551 1.00 23.20 O ATOM 1006 CB LEU A 85 12.933 -8.299 13.410 1.00 17.78 C ATOM 1007 CG LEU A 85 12.567 -6.908 12.887 1.00 16.73 C ATOM 1008 CD1 LEU A 85 13.651 -5.923 13.259 1.00 17.97 C ATOM 1009 CD2 LEU A 85 12.368 -6.968 11.361 1.00 18.92 C ATOM 1010 HA LEU A 85 11.240 -9.338 12.507 1.00 0.00 H ATOM 1011 HB2 LEU A 85 13.294 -8.181 14.432 1.00 0.00 H ATOM 1012 HB3 LEU A 85 13.737 -8.684 12.784 1.00 0.00 H ATOM 1013 HG LEU A 85 11.634 -6.574 13.341 1.00 0.00 H ATOM 1014 HD21 LEU A 85 13.291 -7.303 10.888 1.00 0.00 H ATOM 1015 HD22 LEU A 85 11.565 -7.667 11.128 1.00 0.00 H ATOM 1016 HD23 LEU A 85 12.107 -5.977 10.991 1.00 0.00 H ATOM 1017 HD11 LEU A 85 13.751 -5.887 14.344 1.00 0.00 H ATOM 1018 HD12 LEU A 85 14.595 -6.239 12.816 1.00 0.00 H ATOM 1019 HD13 LEU A 85 13.386 -4.934 12.884 1.00 0.00 H ATOM 1020 H LEU A 85 11.161 -8.438 15.283 1.00 0.00 H ATOM 1021 N GLY A 86 12.494 -11.275 14.764 1.00 21.67 N ATOM 1022 CA GLY A 86 13.135 -12.559 14.983 1.00 21.83 C ATOM 1023 C GLY A 86 14.632 -12.362 14.809 1.00 23.36 C ATOM 1024 O GLY A 86 15.361 -13.301 14.481 1.00 23.61 O ATOM 1025 HA3 GLY A 86 12.769 -13.286 14.258 1.00 0.00 H ATOM 1026 HA2 GLY A 86 12.921 -12.914 15.991 1.00 0.00 H ATOM 1027 H GLY A 86 12.061 -10.773 15.565 1.00 0.00 H ATOM 1028 N ARG A 87 15.090 -11.132 15.034 1.00 22.29 N ATOM 1029 CA ARG A 87 16.500 -10.787 14.860 1.00 22.23 C ATOM 1030 C ARG A 87 16.989 -9.805 15.899 1.00 18.49 C ATOM 1031 O ARG A 87 16.211 -9.049 16.458 1.00 16.27 O ATOM 1032 CB ARG A 87 16.728 -10.156 13.485 1.00 24.24 C ATOM 1033 CG ARG A 87 16.520 -11.080 12.332 1.00 30.12 C ATOM 1034 CD ARG A 87 17.061 -10.491 11.051 1.00 30.27 C ATOM 1035 NE ARG A 87 16.815 -11.414 9.949 1.00 35.48 N ATOM 1036 CZ ARG A 87 17.516 -11.457 8.823 1.00 35.01 C ATOM 1037 NH1 ARG A 87 18.524 -10.629 8.629 1.00 34.81 N ATOM 1038 NH2 ARG A 87 17.204 -12.344 7.889 1.00 42.40 N ATOM 1039 HA ARG A 87 17.055 -11.719 14.964 1.00 0.00 H ATOM 1040 HB2 ARG A 87 16.039 -9.318 13.377 1.00 0.00 H ATOM 1041 HB3 ARG A 87 17.754 -9.789 13.445 1.00 0.00 H ATOM 1042 HG2 ARG A 87 17.032 -12.021 12.534 1.00 0.00 H ATOM 1043 HG3 ARG A 87 15.453 -11.266 12.214 1.00 0.00 H ATOM 1044 HD2 ARG A 87 18.133 -10.323 11.152 1.00 0.00 H ATOM 1045 HD3 ARG A 87 16.564 -9.542 10.849 1.00 0.00 H ATOM 1046 HE ARG A 87 16.031 -12.089 10.053 1.00 0.00 H ATOM 1047 HH12 ARG A 87 19.068 -10.670 7.743 1.00 0.00 H ATOM 1048 HH11 ARG A 87 18.775 -9.935 9.362 1.00 0.00 H ATOM 1049 HH22 ARG A 87 17.750 -12.382 7.005 1.00 0.00 H ATOM 1050 HH21 ARG A 87 16.413 -13.002 8.040 1.00 0.00 H ATOM 1051 H ARG A 87 14.425 -10.395 15.343 1.00 0.00 H ATOM 1052 N GLN A 88 18.294 -9.814 16.131 1.00 17.23 N ATOM 1053 CA GLN A 88 18.925 -8.922 17.087 1.00 17.17 C ATOM 1054 C GLN A 88 19.240 -7.559 16.418 1.00 16.85 C ATOM 1055 O GLN A 88 19.368 -6.553 17.093 1.00 16.76 O ATOM 1056 CB GLN A 88 20.211 -9.581 17.576 1.00 21.67 C ATOM 1057 CG GLN A 88 21.044 -8.787 18.545 1.00 25.51 C ATOM 1058 CD GLN A 88 22.325 -9.527 18.887 1.00 26.84 C ATOM 1059 OE1 GLN A 88 23.281 -9.529 18.113 1.00 29.60 O ATOM 1060 NE2 GLN A 88 22.338 -10.182 20.030 1.00 23.81 N ATOM 1061 HA GLN A 88 18.256 -8.739 17.928 1.00 0.00 H ATOM 1062 HB2 GLN A 88 19.939 -10.518 18.062 1.00 0.00 H ATOM 1063 HB3 GLN A 88 20.829 -9.792 16.703 1.00 0.00 H ATOM 1064 HG2 GLN A 88 21.295 -7.826 18.097 1.00 0.00 H ATOM 1065 HG3 GLN A 88 20.471 -8.622 19.458 1.00 0.00 H ATOM 1066 HE22 GLN A 88 21.507 -10.153 20.655 1.00 0.00 H ATOM 1067 HE21 GLN A 88 23.179 -10.728 20.307 1.00 0.00 H ATOM 1068 H GLN A 88 18.890 -10.487 15.607 1.00 0.00 H ATOM 1069 N SER A 89 19.355 -7.549 15.092 1.00 14.80 N ATOM 1070 CA SER A 89 19.655 -6.326 14.350 1.00 13.58 C ATOM 1071 C SER A 89 19.285 -6.491 12.888 1.00 14.49 C ATOM 1072 O SER A 89 19.077 -7.608 12.410 1.00 15.71 O ATOM 1073 CB SER A 89 21.154 -6.015 14.423 1.00 16.55 C ATOM 1074 OG SER A 89 21.920 -7.072 13.845 1.00 17.64 O ATOM 1075 HA SER A 89 19.078 -5.516 14.796 1.00 0.00 H ATOM 1076 HB2 SER A 89 21.444 -5.893 15.467 1.00 0.00 H ATOM 1077 HB3 SER A 89 21.354 -5.091 13.881 1.00 0.00 H ATOM 1078 HG SER A 89 22.883 -6.850 13.903 1.00 0.00 H ATOM 1079 H SER A 89 19.228 -8.438 14.568 1.00 0.00 H ATOM 1080 N PHE A 90 19.229 -5.375 12.169 1.00 11.02 N ATOM 1081 CA PHE A 90 18.952 -5.420 10.753 1.00 10.95 C ATOM 1082 C PHE A 90 19.544 -4.167 10.132 1.00 12.42 C ATOM 1083 O PHE A 90 19.922 -3.230 10.839 1.00 13.29 O ATOM 1084 CB PHE A 90 17.449 -5.571 10.472 1.00 13.60 C ATOM 1085 CG PHE A 90 16.634 -4.314 10.680 1.00 11.31 C ATOM 1086 CD1 PHE A 90 16.438 -3.418 9.628 1.00 13.94 C ATOM 1087 CD2 PHE A 90 16.039 -4.048 11.899 1.00 13.44 C ATOM 1088 CE1 PHE A 90 15.648 -2.274 9.800 1.00 14.40 C ATOM 1089 CE2 PHE A 90 15.251 -2.907 12.081 1.00 14.14 C ATOM 1090 CZ PHE A 90 15.061 -2.028 11.025 1.00 12.74 C ATOM 1091 HA PHE A 90 19.412 -6.299 10.302 1.00 0.00 H ATOM 1092 HB2 PHE A 90 17.328 -5.886 9.436 1.00 0.00 H ATOM 1093 HB3 PHE A 90 17.056 -6.343 11.134 1.00 0.00 H ATOM 1094 HD2 PHE A 90 16.186 -4.737 12.730 1.00 0.00 H ATOM 1095 HE2 PHE A 90 14.788 -2.709 13.048 1.00 0.00 H ATOM 1096 HZ PHE A 90 14.445 -1.139 11.163 1.00 0.00 H ATOM 1097 HE1 PHE A 90 15.498 -1.582 8.971 1.00 0.00 H ATOM 1098 HD1 PHE A 90 16.905 -3.610 8.662 1.00 0.00 H ATOM 1099 H PHE A 90 19.387 -4.457 12.632 1.00 0.00 H ATOM 1100 N SER A 91 19.668 -4.172 8.816 1.00 11.84 N ATOM 1101 CA SER A 91 20.237 -3.033 8.107 1.00 11.51 C ATOM 1102 C SER A 91 19.177 -2.414 7.197 1.00 12.14 C ATOM 1103 O SER A 91 18.532 -3.127 6.420 1.00 11.21 O ATOM 1104 CB SER A 91 21.414 -3.503 7.255 1.00 13.69 C ATOM 1105 OG SER A 91 21.768 -2.527 6.297 1.00 12.46 O ATOM 1106 HA SER A 91 20.577 -2.291 8.830 1.00 0.00 H ATOM 1107 HB2 SER A 91 21.137 -4.423 6.741 1.00 0.00 H ATOM 1108 HB3 SER A 91 22.270 -3.694 7.903 1.00 0.00 H ATOM 1109 HG SER A 91 22.531 -2.856 5.759 1.00 0.00 H ATOM 1110 H SER A 91 19.354 -5.004 8.277 1.00 0.00 H ATOM 1111 N VAL A 92 18.992 -1.097 7.296 1.00 11.06 N ATOM 1112 CA VAL A 92 18.022 -0.411 6.449 1.00 12.28 C ATOM 1113 C VAL A 92 18.445 -0.529 4.972 1.00 14.41 C ATOM 1114 O VAL A 92 17.622 -0.363 4.079 1.00 13.65 O ATOM 1115 CB VAL A 92 17.877 1.060 6.873 1.00 11.23 C ATOM 1116 CG1 VAL A 92 16.955 1.827 5.925 1.00 13.56 C ATOM 1117 CG2 VAL A 92 17.319 1.103 8.288 1.00 10.04 C ATOM 1118 HA VAL A 92 17.047 -0.884 6.567 1.00 0.00 H ATOM 1119 HB VAL A 92 18.856 1.537 6.835 1.00 0.00 H ATOM 1120 HG11 VAL A 92 17.367 1.797 4.916 1.00 0.00 H ATOM 1121 HG12 VAL A 92 15.967 1.367 5.930 1.00 0.00 H ATOM 1122 HG13 VAL A 92 16.876 2.863 6.256 1.00 0.00 H ATOM 1123 HG21 VAL A 92 16.346 0.612 8.309 1.00 0.00 H ATOM 1124 HG22 VAL A 92 18.002 0.587 8.962 1.00 0.00 H ATOM 1125 HG23 VAL A 92 17.210 2.141 8.603 1.00 0.00 H ATOM 1126 H VAL A 92 19.547 -0.552 7.986 1.00 0.00 H ATOM 1127 N LYS A 93 19.731 -0.807 4.727 1.00 14.54 N ATOM 1128 CA LYS A 93 20.235 -0.995 3.366 1.00 15.51 C ATOM 1129 C LYS A 93 19.789 -2.345 2.750 1.00 16.25 C ATOM 1130 O LYS A 93 19.792 -2.501 1.516 1.00 15.95 O ATOM 1131 CB LYS A 93 21.771 -0.887 3.336 1.00 18.11 C ATOM 1132 CG LYS A 93 22.262 0.533 3.487 1.00 18.48 C ATOM 1133 CD LYS A 93 23.790 0.647 3.390 1.00 26.34 C ATOM 1134 CE LYS A 93 24.238 2.096 3.591 1.00 30.07 C ATOM 1135 NZ LYS A 93 25.723 2.286 3.469 1.00 32.75 N ATOM 1136 HA LYS A 93 19.803 -0.199 2.759 1.00 0.00 H ATOM 1137 HB2 LYS A 93 22.178 -1.485 4.151 1.00 0.00 H ATOM 1138 HB3 LYS A 93 22.129 -1.280 2.385 1.00 0.00 H ATOM 1139 HG2 LYS A 93 21.816 1.142 2.700 1.00 0.00 H ATOM 1140 HG3 LYS A 93 21.945 0.910 4.459 1.00 0.00 H ATOM 1141 HD2 LYS A 93 24.245 0.022 4.158 1.00 0.00 H ATOM 1142 HD3 LYS A 93 24.113 0.305 2.407 1.00 0.00 H ATOM 1143 HE2 LYS A 93 23.929 2.418 4.585 1.00 0.00 H ATOM 1144 HE3 LYS A 93 23.748 2.716 2.841 1.00 0.00 H ATOM 1145 HZ1 LYS A 93 26.205 1.708 4.186 1.00 0.00 H ATOM 1146 HZ2 LYS A 93 26.032 1.992 2.520 1.00 0.00 H ATOM 1147 HZ3 LYS A 93 25.956 3.289 3.616 1.00 0.00 H ATOM 1148 H LYS A 93 20.391 -0.892 5.526 1.00 0.00 H ATOM 1149 N ASP A 94 19.457 -3.320 3.594 1.00 12.97 N ATOM 1150 CA ASP A 94 18.936 -4.622 3.121 1.00 18.08 C ATOM 1151 C ASP A 94 17.672 -4.810 3.926 1.00 16.66 C ATOM 1152 O ASP A 94 17.633 -5.585 4.882 1.00 17.05 O ATOM 1153 CB ASP A 94 19.846 -5.817 3.420 1.00 21.82 C ATOM 1154 CG ASP A 94 19.155 -7.166 3.096 1.00 27.62 C ATOM 1155 OD1 ASP A 94 18.059 -7.155 2.472 1.00 30.82 O ATOM 1156 OD2 ASP A 94 19.685 -8.237 3.455 1.00 28.75 O ATOM 1157 HA ASP A 94 18.823 -4.596 2.037 1.00 0.00 H ATOM 1158 HB2 ASP A 94 20.751 -5.731 2.818 1.00 0.00 H ATOM 1159 HB3 ASP A 94 20.112 -5.802 4.477 1.00 0.00 H ATOM 1160 H ASP A 94 19.567 -3.162 4.616 1.00 0.00 H ATOM 1161 N PRO A 95 16.611 -4.116 3.532 1.00 15.74 N ATOM 1162 CA PRO A 95 15.339 -4.203 4.248 1.00 15.87 C ATOM 1163 C PRO A 95 14.553 -5.509 4.141 1.00 14.57 C ATOM 1164 O PRO A 95 13.496 -5.611 4.729 1.00 13.02 O ATOM 1165 CB PRO A 95 14.555 -3.042 3.673 1.00 15.29 C ATOM 1166 CG PRO A 95 14.962 -3.112 2.197 1.00 14.32 C ATOM 1167 CD PRO A 95 16.483 -3.306 2.307 1.00 15.44 C ATOM 1168 HA PRO A 95 15.524 -4.170 5.322 1.00 0.00 H ATOM 1169 HD3 PRO A 95 16.877 -3.836 1.440 1.00 0.00 H ATOM 1170 HD2 PRO A 95 16.996 -2.350 2.411 1.00 0.00 H ATOM 1171 HG3 PRO A 95 14.715 -2.190 1.671 1.00 0.00 H ATOM 1172 HG2 PRO A 95 14.488 -3.954 1.693 1.00 0.00 H ATOM 1173 HB2 PRO A 95 13.481 -3.183 3.799 1.00 0.00 H ATOM 1174 HB3 PRO A 95 14.852 -2.096 4.125 1.00 0.00 H ATOM 1175 N SER A 96 15.044 -6.511 3.416 1.00 15.26 N ATOM 1176 CA SER A 96 14.235 -7.728 3.294 1.00 15.56 C ATOM 1177 C SER A 96 13.654 -8.285 4.594 1.00 14.20 C ATOM 1178 O SER A 96 12.471 -8.622 4.647 1.00 13.79 O ATOM 1179 CB SER A 96 15.000 -8.838 2.553 1.00 19.61 C ATOM 1180 OG SER A 96 16.192 -9.182 3.217 1.00 25.20 O ATOM 1181 HA SER A 96 13.374 -7.399 2.713 1.00 0.00 H ATOM 1182 HB2 SER A 96 15.243 -8.490 1.549 1.00 0.00 H ATOM 1183 HB3 SER A 96 14.365 -9.721 2.487 1.00 0.00 H ATOM 1184 HG SER A 96 16.777 -8.386 3.276 1.00 0.00 H ATOM 1185 H SER A 96 15.971 -6.434 2.951 1.00 0.00 H ATOM 1186 N PRO A 97 14.465 -8.414 5.656 1.00 15.19 N ATOM 1187 CA PRO A 97 13.868 -8.951 6.882 1.00 14.47 C ATOM 1188 C PRO A 97 12.794 -8.031 7.445 1.00 14.34 C ATOM 1189 O PRO A 97 11.832 -8.496 8.042 1.00 13.49 O ATOM 1190 CB PRO A 97 15.067 -9.116 7.818 1.00 18.33 C ATOM 1191 CG PRO A 97 16.029 -8.093 7.334 1.00 20.42 C ATOM 1192 CD PRO A 97 15.904 -8.161 5.835 1.00 17.63 C ATOM 1193 HA PRO A 97 13.339 -9.891 6.724 1.00 0.00 H ATOM 1194 HD3 PRO A 97 16.202 -7.221 5.370 1.00 0.00 H ATOM 1195 HD2 PRO A 97 16.503 -8.974 5.424 1.00 0.00 H ATOM 1196 HG3 PRO A 97 17.044 -8.334 7.650 1.00 0.00 H ATOM 1197 HG2 PRO A 97 15.760 -7.103 7.702 1.00 0.00 H ATOM 1198 HB2 PRO A 97 14.783 -8.925 8.853 1.00 0.00 H ATOM 1199 HB3 PRO A 97 15.490 -10.118 7.737 1.00 0.00 H ATOM 1200 N LEU A 98 12.968 -6.723 7.265 1.00 12.29 N ATOM 1201 CA LEU A 98 11.975 -5.774 7.750 1.00 13.48 C ATOM 1202 C LEU A 98 10.691 -5.946 6.931 1.00 14.59 C ATOM 1203 O LEU A 98 9.586 -5.924 7.477 1.00 16.54 O ATOM 1204 CB LEU A 98 12.486 -4.328 7.603 1.00 12.09 C ATOM 1205 CG LEU A 98 11.513 -3.202 7.963 1.00 16.66 C ATOM 1206 CD1 LEU A 98 11.226 -3.177 9.472 1.00 17.15 C ATOM 1207 CD2 LEU A 98 12.136 -1.865 7.551 1.00 17.00 C ATOM 1208 HA LEU A 98 11.782 -5.966 8.806 1.00 0.00 H ATOM 1209 HB2 LEU A 98 13.361 -4.223 8.244 1.00 0.00 H ATOM 1210 HB3 LEU A 98 12.780 -4.188 6.563 1.00 0.00 H ATOM 1211 HG LEU A 98 10.573 -3.371 7.438 1.00 0.00 H ATOM 1212 HD21 LEU A 98 13.078 -1.725 8.082 1.00 0.00 H ATOM 1213 HD22 LEU A 98 12.320 -1.867 6.477 1.00 0.00 H ATOM 1214 HD23 LEU A 98 11.452 -1.054 7.802 1.00 0.00 H ATOM 1215 HD11 LEU A 98 10.785 -4.128 9.773 1.00 0.00 H ATOM 1216 HD12 LEU A 98 12.158 -3.019 10.015 1.00 0.00 H ATOM 1217 HD13 LEU A 98 10.532 -2.367 9.695 1.00 0.00 H ATOM 1218 H LEU A 98 13.818 -6.377 6.775 1.00 0.00 H ATOM 1219 N TYR A 99 10.830 -6.117 5.614 1.00 11.88 N ATOM 1220 CA TYR A 99 9.644 -6.263 4.780 1.00 12.57 C ATOM 1221 C TYR A 99 8.937 -7.590 5.074 1.00 13.31 C ATOM 1222 O TYR A 99 7.724 -7.660 5.007 1.00 13.34 O ATOM 1223 CB TYR A 99 10.017 -6.148 3.299 1.00 12.03 C ATOM 1224 CG TYR A 99 10.519 -4.767 2.898 1.00 12.36 C ATOM 1225 CD1 TYR A 99 11.139 -4.560 1.656 1.00 12.33 C ATOM 1226 CD2 TYR A 99 10.333 -3.658 3.728 1.00 12.56 C ATOM 1227 CE1 TYR A 99 11.542 -3.293 1.257 1.00 12.20 C ATOM 1228 CE2 TYR A 99 10.737 -2.378 3.333 1.00 12.38 C ATOM 1229 CZ TYR A 99 11.333 -2.206 2.089 1.00 12.05 C ATOM 1230 OH TYR A 99 11.661 -0.944 1.633 1.00 13.87 O ATOM 1231 HA TYR A 99 8.949 -5.457 5.016 1.00 0.00 H ATOM 1232 HB3 TYR A 99 9.134 -6.380 2.703 1.00 0.00 H ATOM 1233 HB2 TYR A 99 10.800 -6.875 3.084 1.00 0.00 H ATOM 1234 HD2 TYR A 99 9.864 -3.793 4.703 1.00 0.00 H ATOM 1235 HE2 TYR A 99 10.586 -1.524 3.994 1.00 0.00 H ATOM 1236 HE1 TYR A 99 12.023 -3.154 0.289 1.00 0.00 H ATOM 1237 HD1 TYR A 99 11.307 -5.409 0.993 1.00 0.00 H ATOM 1238 HH TYR A 99 12.073 -1.015 0.736 1.00 0.00 H ATOM 1239 H TYR A 99 11.778 -6.146 5.187 1.00 0.00 H ATOM 1240 N ASP A 100 9.704 -8.617 5.429 1.00 14.21 N ATOM 1241 CA ASP A 100 9.138 -9.927 5.774 1.00 16.19 C ATOM 1242 C ASP A 100 8.259 -9.770 7.030 1.00 14.89 C ATOM 1243 O ASP A 100 7.142 -10.320 7.114 1.00 14.43 O ATOM 1244 CB ASP A 100 10.271 -10.915 6.051 1.00 18.27 C ATOM 1245 CG ASP A 100 9.765 -12.303 6.428 1.00 27.23 C ATOM 1246 OD1 ASP A 100 9.129 -12.960 5.573 1.00 30.50 O ATOM 1247 OD2 ASP A 100 9.998 -12.738 7.583 1.00 28.95 O ATOM 1248 HA ASP A 100 8.535 -10.304 4.948 1.00 0.00 H ATOM 1249 HB2 ASP A 100 10.887 -11.000 5.155 1.00 0.00 H ATOM 1250 HB3 ASP A 100 10.877 -10.530 6.871 1.00 0.00 H ATOM 1251 H ASP A 100 10.735 -8.488 5.463 1.00 0.00 H ATOM 1252 N MET A 101 8.766 -9.009 7.993 1.00 13.58 N ATOM 1253 CA MET A 101 8.043 -8.764 9.233 1.00 13.35 C ATOM 1254 C MET A 101 6.752 -8.004 8.941 1.00 13.95 C ATOM 1255 O MET A 101 5.673 -8.343 9.476 1.00 13.26 O ATOM 1256 CB MET A 101 8.924 -7.980 10.222 1.00 13.71 C ATOM 1257 CG MET A 101 8.268 -7.762 11.601 1.00 12.24 C ATOM 1258 SD MET A 101 7.140 -6.337 11.558 1.00 15.32 S ATOM 1259 CE MET A 101 8.367 -5.016 11.551 1.00 15.52 C ATOM 1260 HA MET A 101 7.789 -9.721 9.689 1.00 0.00 H ATOM 1261 HB2 MET A 101 9.853 -8.531 10.366 1.00 0.00 H ATOM 1262 HB3 MET A 101 9.145 -7.005 9.788 1.00 0.00 H ATOM 1263 HG2 MET A 101 9.046 -7.581 12.343 1.00 0.00 H ATOM 1264 HG3 MET A 101 7.707 -8.655 11.876 1.00 0.00 H ATOM 1265 HE1 MET A 101 8.977 -5.084 12.452 1.00 0.00 H ATOM 1266 HE2 MET A 101 9.003 -5.117 10.671 1.00 0.00 H ATOM 1267 HE3 MET A 101 7.860 -4.051 11.526 1.00 0.00 H ATOM 1268 H MET A 101 9.703 -8.577 7.858 1.00 0.00 H ATOM 1269 N LEU A 102 6.837 -6.996 8.076 1.00 12.59 N ATOM 1270 CA LEU A 102 5.638 -6.238 7.737 1.00 9.98 C ATOM 1271 C LEU A 102 4.607 -7.100 7.005 1.00 11.42 C ATOM 1272 O LEU A 102 3.427 -6.971 7.254 1.00 13.44 O ATOM 1273 CB LEU A 102 5.995 -4.990 6.918 1.00 11.51 C ATOM 1274 CG LEU A 102 6.873 -3.998 7.684 1.00 12.46 C ATOM 1275 CD1 LEU A 102 7.244 -2.812 6.775 1.00 13.88 C ATOM 1276 CD2 LEU A 102 6.130 -3.499 8.923 1.00 11.62 C ATOM 1277 HA LEU A 102 5.181 -5.914 8.672 1.00 0.00 H ATOM 1278 HB2 LEU A 102 6.528 -5.305 6.021 1.00 0.00 H ATOM 1279 HB3 LEU A 102 5.071 -4.487 6.632 1.00 0.00 H ATOM 1280 HG LEU A 102 7.789 -4.499 7.997 1.00 0.00 H ATOM 1281 HD21 LEU A 102 5.208 -3.004 8.618 1.00 0.00 H ATOM 1282 HD22 LEU A 102 5.893 -4.345 9.568 1.00 0.00 H ATOM 1283 HD23 LEU A 102 6.761 -2.793 9.464 1.00 0.00 H ATOM 1284 HD11 LEU A 102 7.790 -3.179 5.906 1.00 0.00 H ATOM 1285 HD12 LEU A 102 6.334 -2.308 6.448 1.00 0.00 H ATOM 1286 HD13 LEU A 102 7.869 -2.112 7.330 1.00 0.00 H ATOM 1287 H LEU A 102 7.751 -6.751 7.645 1.00 0.00 H ATOM 1288 N ARG A 103 5.044 -8.000 6.121 1.00 14.92 N ATOM 1289 CA ARG A 103 4.091 -8.859 5.406 1.00 15.05 C ATOM 1290 C ARG A 103 3.333 -9.739 6.394 1.00 15.13 C ATOM 1291 O ARG A 103 2.156 -10.037 6.202 1.00 15.89 O ATOM 1292 CB ARG A 103 4.816 -9.770 4.413 1.00 20.13 C ATOM 1293 CG ARG A 103 3.884 -10.644 3.574 1.00 23.78 C ATOM 1294 CD ARG A 103 4.614 -11.873 3.057 1.00 32.59 C ATOM 1295 NE ARG A 103 5.043 -12.732 4.163 1.00 39.85 N ATOM 1296 CZ ARG A 103 6.300 -13.106 4.385 1.00 41.24 C ATOM 1297 NH1 ARG A 103 7.273 -12.701 3.573 1.00 42.91 N ATOM 1298 NH2 ARG A 103 6.587 -13.877 5.428 1.00 41.38 N ATOM 1299 HA ARG A 103 3.400 -8.210 4.869 1.00 0.00 H ATOM 1300 HB2 ARG A 103 5.400 -9.145 3.738 1.00 0.00 H ATOM 1301 HB3 ARG A 103 5.486 -10.422 4.973 1.00 0.00 H ATOM 1302 HG2 ARG A 103 3.042 -10.961 4.189 1.00 0.00 H ATOM 1303 HG3 ARG A 103 3.516 -10.064 2.727 1.00 0.00 H ATOM 1304 HD2 ARG A 103 5.490 -11.556 2.491 1.00 0.00 H ATOM 1305 HD3 ARG A 103 3.946 -12.437 2.405 1.00 0.00 H ATOM 1306 HE ARG A 103 4.314 -13.074 4.821 1.00 0.00 H ATOM 1307 HH12 ARG A 103 8.255 -12.996 3.750 1.00 0.00 H ATOM 1308 HH11 ARG A 103 7.052 -12.090 2.761 1.00 0.00 H ATOM 1309 HH22 ARG A 103 7.569 -14.170 5.603 1.00 0.00 H ATOM 1310 HH21 ARG A 103 5.829 -14.187 6.069 1.00 0.00 H ATOM 1311 H ARG A 103 6.063 -8.093 5.938 1.00 0.00 H ATOM 1312 N LYS A 104 4.017 -10.148 7.456 1.00 14.49 N ATOM 1313 CA LYS A 104 3.405 -11.011 8.458 1.00 17.35 C ATOM 1314 C LYS A 104 2.585 -10.238 9.466 1.00 18.05 C ATOM 1315 O LYS A 104 1.668 -10.781 10.078 1.00 19.30 O ATOM 1316 CB LYS A 104 4.485 -11.807 9.201 1.00 15.13 C ATOM 1317 CG LYS A 104 5.197 -12.848 8.341 1.00 19.62 C ATOM 1318 CD LYS A 104 6.161 -13.695 9.175 1.00 25.73 C ATOM 1319 CE LYS A 104 7.268 -12.855 9.798 1.00 28.24 C ATOM 1320 NZ LYS A 104 8.103 -13.671 10.737 1.00 32.36 N ATOM 1321 HA LYS A 104 2.735 -11.684 7.924 1.00 0.00 H ATOM 1322 HB2 LYS A 104 5.230 -11.105 9.576 1.00 0.00 H ATOM 1323 HB3 LYS A 104 4.016 -12.320 10.041 1.00 0.00 H ATOM 1324 HG2 LYS A 104 4.453 -13.502 7.886 1.00 0.00 H ATOM 1325 HG3 LYS A 104 5.758 -12.338 7.558 1.00 0.00 H ATOM 1326 HD2 LYS A 104 5.600 -14.185 9.971 1.00 0.00 H ATOM 1327 HD3 LYS A 104 6.612 -14.451 8.532 1.00 0.00 H ATOM 1328 HE2 LYS A 104 6.820 -12.027 10.348 1.00 0.00 H ATOM 1329 HE3 LYS A 104 7.905 -12.461 9.006 1.00 0.00 H ATOM 1330 HZ1 LYS A 104 7.501 -14.045 11.498 1.00 0.00 H ATOM 1331 HZ2 LYS A 104 8.537 -14.460 10.217 1.00 0.00 H ATOM 1332 HZ3 LYS A 104 8.848 -13.072 11.146 1.00 0.00 H ATOM 1333 H LYS A 104 5.006 -9.848 7.575 1.00 0.00 H ATOM 1334 N ASN A 105 2.908 -8.967 9.643 1.00 14.86 N ATOM 1335 CA ASN A 105 2.201 -8.167 10.636 1.00 14.81 C ATOM 1336 C ASN A 105 1.264 -7.083 10.104 1.00 15.10 C ATOM 1337 O ASN A 105 0.684 -6.316 10.873 1.00 16.05 O ATOM 1338 CB ASN A 105 3.222 -7.585 11.613 1.00 15.74 C ATOM 1339 CG ASN A 105 3.756 -8.639 12.577 1.00 20.88 C ATOM 1340 OD1 ASN A 105 3.109 -8.957 13.572 1.00 20.60 O ATOM 1341 ND2 ASN A 105 4.920 -9.207 12.272 1.00 16.72 N ATOM 1342 HA ASN A 105 1.515 -8.855 11.131 1.00 0.00 H ATOM 1343 HB2 ASN A 105 4.056 -7.172 11.046 1.00 0.00 H ATOM 1344 HB3 ASN A 105 2.746 -6.791 12.188 1.00 0.00 H ATOM 1345 HD22 ASN A 105 5.437 -8.909 11.420 1.00 0.00 H ATOM 1346 HD21 ASN A 105 5.313 -9.949 12.886 1.00 0.00 H ATOM 1347 H ASN A 105 3.666 -8.539 9.074 1.00 0.00 H ATOM 1348 N LEU A 106 1.123 -7.000 8.793 1.00 14.11 N ATOM 1349 CA LEU A 106 0.173 -6.040 8.254 1.00 13.33 C ATOM 1350 C LEU A 106 -0.951 -6.834 7.569 1.00 16.30 C ATOM 1351 O LEU A 106 -0.723 -7.506 6.567 1.00 17.36 O ATOM 1352 CB LEU A 106 0.846 -5.096 7.241 1.00 12.88 C ATOM 1353 CG LEU A 106 1.915 -4.129 7.764 1.00 10.06 C ATOM 1354 CD1 LEU A 106 2.414 -3.228 6.643 1.00 12.33 C ATOM 1355 CD2 LEU A 106 1.317 -3.295 8.882 1.00 8.49 C ATOM 1356 HA LEU A 106 -0.222 -5.421 9.059 1.00 0.00 H ATOM 1357 HB2 LEU A 106 1.315 -5.718 6.479 1.00 0.00 H ATOM 1358 HB3 LEU A 106 0.060 -4.495 6.784 1.00 0.00 H ATOM 1359 HG LEU A 106 2.764 -4.697 8.143 1.00 0.00 H ATOM 1360 HD21 LEU A 106 0.466 -2.732 8.499 1.00 0.00 H ATOM 1361 HD22 LEU A 106 0.987 -3.952 9.687 1.00 0.00 H ATOM 1362 HD23 LEU A 106 2.070 -2.604 9.261 1.00 0.00 H ATOM 1363 HD11 LEU A 106 2.847 -3.840 5.852 1.00 0.00 H ATOM 1364 HD12 LEU A 106 1.580 -2.652 6.243 1.00 0.00 H ATOM 1365 HD13 LEU A 106 3.172 -2.549 7.034 1.00 0.00 H ATOM 1366 H LEU A 106 1.680 -7.609 8.160 1.00 0.00 H ATOM 1367 N VAL A 107 -2.150 -6.790 8.128 1.00 14.10 N ATOM 1368 CA VAL A 107 -3.278 -7.472 7.517 1.00 13.14 C ATOM 1369 C VAL A 107 -3.820 -6.557 6.431 1.00 13.21 C ATOM 1370 O VAL A 107 -4.057 -5.381 6.661 1.00 12.65 O ATOM 1371 CB VAL A 107 -4.391 -7.783 8.542 1.00 12.30 C ATOM 1372 CG1 VAL A 107 -5.627 -8.311 7.816 1.00 12.37 C ATOM 1373 CG2 VAL A 107 -3.872 -8.816 9.564 1.00 12.32 C ATOM 1374 HA VAL A 107 -2.948 -8.428 7.111 1.00 0.00 H ATOM 1375 HB VAL A 107 -4.668 -6.873 9.075 1.00 0.00 H ATOM 1376 HG11 VAL A 107 -5.983 -7.558 7.113 1.00 0.00 H ATOM 1377 HG12 VAL A 107 -5.368 -9.221 7.276 1.00 0.00 H ATOM 1378 HG13 VAL A 107 -6.409 -8.529 8.544 1.00 0.00 H ATOM 1379 HG21 VAL A 107 -3.590 -9.731 9.043 1.00 0.00 H ATOM 1380 HG22 VAL A 107 -3.003 -8.409 10.081 1.00 0.00 H ATOM 1381 HG23 VAL A 107 -4.657 -9.036 10.287 1.00 0.00 H ATOM 1382 H VAL A 107 -2.286 -6.262 9.014 1.00 0.00 H ATOM 1383 N THR A 108 -4.016 -7.108 5.239 1.00 16.10 N ATOM 1384 CA THR A 108 -4.498 -6.317 4.112 1.00 21.18 C ATOM 1385 C THR A 108 -5.838 -6.827 3.612 1.00 24.62 C ATOM 1386 O THR A 108 -6.356 -7.817 4.127 1.00 26.63 O ATOM 1387 CB THR A 108 -3.502 -6.365 2.936 1.00 22.69 C ATOM 1388 OG1 THR A 108 -3.353 -7.723 2.486 1.00 24.92 O ATOM 1389 CG2 THR A 108 -2.152 -5.817 3.374 1.00 22.80 C ATOM 1390 HA THR A 108 -4.604 -5.293 4.472 1.00 0.00 H ATOM 1391 HB THR A 108 -3.884 -5.753 2.119 1.00 0.00 H ATOM 1392 HG1 THR A 108 -3.012 -8.280 3.230 1.00 0.00 H ATOM 1393 HG23 THR A 108 -2.272 -4.788 3.714 1.00 0.00 H ATOM 1394 HG21 THR A 108 -1.761 -6.427 4.188 1.00 0.00 H ATOM 1395 HG22 THR A 108 -1.460 -5.845 2.533 1.00 0.00 H ATOM 1396 H THR A 108 -3.823 -8.121 5.106 1.00 0.00 H ATOM 1397 N LEU A 109 -6.388 -6.146 2.610 1.00 27.29 N ATOM 1398 CA LEU A 109 -7.669 -6.544 2.038 1.00 30.89 C ATOM 1399 C LEU A 109 -7.473 -7.669 1.024 1.00 33.93 C ATOM 1400 O LEU A 109 -7.318 -8.825 1.485 1.00 33.66 O ATOM 1401 CB LEU A 109 -8.339 -5.339 1.376 1.00 27.34 C ATOM 1402 CG LEU A 109 -9.253 -4.561 2.319 1.00 28.08 C ATOM 1403 CD1 LEU A 109 -9.437 -3.129 1.855 1.00 28.50 C ATOM 1404 CD2 LEU A 109 -10.574 -5.273 2.407 1.00 27.63 C ATOM 1405 HA LEU A 109 -8.314 -6.911 2.837 1.00 0.00 H ATOM 1406 HB2 LEU A 109 -7.561 -4.666 1.014 1.00 0.00 H ATOM 1407 HB3 LEU A 109 -8.932 -5.693 0.533 1.00 0.00 H ATOM 1408 HG LEU A 109 -8.795 -4.516 3.307 1.00 0.00 H ATOM 1409 HD21 LEU A 109 -11.023 -5.326 1.415 1.00 0.00 H ATOM 1410 HD22 LEU A 109 -10.417 -6.281 2.791 1.00 0.00 H ATOM 1411 HD23 LEU A 109 -11.236 -4.726 3.078 1.00 0.00 H ATOM 1412 HD11 LEU A 109 -8.468 -2.631 1.823 1.00 0.00 H ATOM 1413 HD12 LEU A 109 -9.882 -3.125 0.860 1.00 0.00 H ATOM 1414 HD13 LEU A 109 -10.093 -2.605 2.550 1.00 0.00 H ATOM 1415 H LEU A 109 -5.895 -5.314 2.227 1.00 0.00 H TER 1416 LEU A 109 HETATM 1417 K K A 1 22.011 3.437 19.813 1.00 11.32 K HETATM 1418 O HOH 2 8.766 13.192 8.117 1.00 43.49 O HETATM 1419 O HOH 3 6.587 7.361 5.649 1.00 12.80 O HETATM 1420 O HOH 4 14.953 -1.778 23.318 1.00 15.72 O HETATM 1421 O HOH 5 26.966 -1.842 13.334 1.00 22.66 O HETATM 1422 O HOH 6 21.719 0.560 19.548 1.00 11.99 O HETATM 1423 O HOH 7 0.000 0.540 0.000 1.00 4.69 O HETATM 1424 O HOH 8 22.172 10.057 18.015 1.00 12.85 O HETATM 1425 O HOH 9 17.033 -3.223 22.075 1.00 11.92 O HETATM 1426 O HOH 10 26.187 6.544 9.587 1.00 14.10 O HETATM 1427 O HOH 11 -2.184 5.408 0.579 1.00 15.41 O HETATM 1428 O HOH 12 13.347 -0.995 25.413 1.00 21.99 O HETATM 1429 O HOH 13 15.452 3.057 23.931 1.00 11.24 O HETATM 1430 O HOH 14 -4.641 -2.470 14.194 1.00 19.61 O HETATM 1431 O HOH 15 -1.934 8.224 13.662 1.00 16.17 O HETATM 1432 O HOH 16 -0.407 7.544 1.760 1.00 16.49 O HETATM 1433 O HOH 17 -0.642 8.346 4.256 1.00 17.42 O HETATM 1434 O HOH 18 -1.384 -3.521 0.970 1.00 32.46 O HETATM 1435 O HOH 19 18.930 -6.350 7.177 1.00 18.06 O HETATM 1436 O HOH 20 -0.442 -10.615 7.448 1.00 33.38 O HETATM 1437 O HOH 21 5.894 -13.294 12.469 1.00 37.48 O HETATM 1438 O HOH 22 7.248 13.194 14.818 1.00 37.83 O HETATM 1439 O HOH 23 26.367 1.920 1.047 1.00 31.80 O HETATM 1440 O HOH 24 -10.914 2.814 13.334 1.00 37.51 O HETATM 1441 O HOH 25 0.905 4.694 1.765 1.00 9.11 O HETATM 1442 O HOH 26 30.859 6.890 12.403 1.00 17.22 O HETATM 1443 O HOH 27 -5.304 5.528 12.129 1.00 13.92 O HETATM 1444 O HOH 28 -0.803 2.432 1.749 1.00 18.34 O HETATM 1445 O HOH 29 19.275 -1.644 21.169 1.00 20.75 O HETATM 1446 O HOH 30 22.554 -7.188 5.451 1.00 35.88 O HETATM 1447 O HOH 31 24.046 -3.354 5.254 1.00 27.66 O HETATM 1448 O HOH 32 2.860 -11.100 15.411 1.00 26.47 O HETATM 1449 O HOH 33 11.707 -10.892 9.483 1.00 24.29 O HETATM 1450 O HOH 34 -2.273 -1.108 0.552 1.00 24.79 O HETATM 1451 O HOH 35 1.109 -11.642 17.332 1.00 28.36 O HETATM 1452 O HOH 36 -8.078 3.583 12.552 1.00 27.53 O HETATM 1453 O HOH 37 13.897 -6.829 27.107 1.00 28.27 O HETATM 1454 O HOH 38 17.677 0.731 1.564 1.00 19.03 O HETATM 1455 O HOH 39 28.065 3.341 5.766 1.00 27.61 O HETATM 1456 O HOH 40 26.206 4.463 7.529 1.00 19.18 O HETATM 1457 O HOH 41 20.666 -5.342 19.942 1.00 23.76 O HETATM 1458 O HOH 42 11.655 -9.074 23.694 1.00 23.80 O HETATM 1459 O HOH 43 -5.085 6.285 7.645 1.00 28.97 O HETATM 1460 O HOH 44 -8.811 1.868 5.804 1.00 35.61 O HETATM 1461 O HOH 45 6.662 -11.201 13.459 1.00 22.33 O HETATM 1462 O HOH 46 1.741 12.292 14.873 1.00 38.45 O HETATM 1463 O HOH 47 14.942 10.468 22.138 1.00 32.38 O HETATM 1464 O HOH 48 14.389 -9.256 21.053 1.00 23.92 O HETATM 1465 O HOH 49 29.622 0.787 14.792 1.00 26.33 O HETATM 1466 O HOH 50 -4.771 -5.873 14.870 1.00 19.76 O HETATM 1467 O HOH 51 33.995 3.153 18.049 1.00 23.45 O HETATM 1468 O HOH 52 6.122 8.843 21.110 1.00 30.15 O HETATM 1469 O HOH 53 8.219 10.649 8.034 1.00 23.96 O HETATM 1470 O HOH 54 12.547 11.762 23.609 1.00 36.16 O HETATM 1471 O HOH 55 -11.423 -0.749 12.893 1.00 33.57 O HETATM 1472 O HOH 56 17.037 10.586 18.020 1.00 37.78 O HETATM 1473 O HOH 57 21.626 6.181 18.543 1.00 24.90 O HETATM 1474 O HOH 58 0.454 -11.963 5.464 1.00 39.17 O HETATM 1475 O HOH 59 20.715 12.149 15.983 1.00 31.63 O HETATM 1476 O HOH 60 24.382 0.556 18.613 1.00 17.12 O HETATM 1477 O HOH 61 0.360 -8.762 4.442 1.00 25.82 O HETATM 1478 O HOH 62 -1.420 0.031 21.821 1.00 29.54 O HETATM 1479 O HOH 63 28.070 2.424 17.267 1.00 28.25 O HETATM 1480 O HOH 64 -1.730 10.794 15.386 1.00 41.74 O HETATM 1481 O HOH 65 -5.034 -3.516 2.068 1.00 33.77 O HETATM 1482 O HOH 66 -5.517 -10.584 3.103 1.00 33.57 O HETATM 1483 O HOH 67 12.712 -0.846 -0.710 1.00 22.66 O HETATM 1484 O HOH 68 7.393 -1.253 23.072 1.00 43.11 O HETATM 1485 O HOH 69 27.817 -2.848 10.869 1.00 43.99 O HETATM 1486 O HOH 70 9.464 -11.322 10.678 1.00 35.60 O HETATM 1487 O HOH 71 4.122 12.225 14.179 1.00 32.91 O HETATM 1488 O HOH 72 10.025 8.467 10.482 1.00 29.59 O HETATM 1489 O HOH 73 8.408 11.291 17.061 1.00 29.89 O HETATM 1490 O HOH 74 15.755 -0.059 -0.537 1.00 28.20 O HETATM 1491 O HOH 75 -3.482 -9.968 5.102 1.00 32.00 O HETATM 1492 O HOH 76 -1.244 -9.784 2.856 1.00 35.89 O HETATM 1493 O HOH 77 -5.984 8.596 12.675 1.00 39.45 O HETATM 1494 O HOH 78 -4.581 -10.291 0.427 1.00 40.33 O HETATM 1495 O HOH 79 -3.662 7.941 11.370 1.00 31.20 O HETATM 1496 O HOH 80 28.493 10.156 15.330 1.00 17.22 O HETATM 1497 O HOH 81 23.117 11.103 15.545 1.00 19.07 O HETATM 1498 O HOH 82 31.499 0.836 12.808 1.00 36.14 O HETATM 1499 O HOH 83 -11.987 -1.522 4.786 1.00 34.33 O HETATM 1500 O HOH 84 20.467 -9.985 21.370 1.00 28.53 O HETATM 1501 O HOH 85 -8.924 -9.217 3.209 1.00 26.32 O HETATM 1502 O HOH 86 19.723 -9.149 9.869 1.00 26.75 O HETATM 1503 O HOH 87 11.431 -9.767 2.345 1.00 26.03 O HETATM 1504 O HOH 88 2.780 9.419 6.932 1.00 30.82 O HETATM 1505 O HOH 89 -5.565 -5.965 -0.411 1.00 30.78 O HETATM 1506 O HOH 90 11.052 -13.829 17.690 1.00 35.00 O HETATM 1507 O HOH 91 14.302 11.782 20.043 1.00 33.64 O HETATM 1508 O HOH 92 -0.522 1.479 23.901 1.00 33.32 O HETATM 1509 O HOH 93 29.505 1.516 6.572 1.00 36.27 O HETATM 1510 O HOH 94 19.887 -8.509 5.729 1.00 30.20 O HETATM 1511 O HOH 95 20.436 10.684 13.419 1.00 16.62 O HETATM 1512 O HOH 96 12.596 -11.944 2.897 1.00 36.40 O HETATM 1513 O HOH 97 24.446 -12.126 20.989 1.00 28.47 O HETATM 1514 O HOH 98 -10.763 3.246 6.405 1.00 27.78 O HETATM 1515 O HOH 99 -4.447 8.980 8.974 1.00 30.49 O HETATM 1516 O HOH 100 15.175 -11.763 19.200 1.00 33.04 O HETATM 1517 O HOH 101 -3.637 -1.427 21.408 1.00 35.27 O HETATM 1518 O HOH 102 14.694 12.047 16.821 1.00 42.30 O HETATM 1519 O HOH 103 8.467 1.105 23.928 1.00 34.62 O HETATM 1520 O HOH 104 8.393 -13.667 16.386 1.00 33.84 O HETATM 1521 O HOH 105 10.339 5.334 4.747 1.00 13.07 O HETATM 1522 O HOH 106 10.427 8.636 1.586 1.00 14.57 O HETATM 1523 O HOH 107 8.984 6.742 6.823 1.00 12.72 O HETATM 1524 O HOH 108 10.684 8.933 6.612 1.00 25.76 O HETATM 1525 O HOH 109 22.037 6.992 0.145 1.00 24.34 O HETATM 1526 O HOH 110 18.351 3.296 2.706 1.00 25.92 O HETATM 1527 O HOH 111 19.087 13.398 8.116 1.00 24.81 O HETATM 1528 O HOH 112 13.077 9.362 7.551 1.00 26.31 O HETATM 1529 O HOH 113 17.072 9.384 1.758 1.00 27.80 O HETATM 1530 O HOH 114 11.573 9.098 0.147 1.00 19.25 O HETATM 1531 O HOH 115 9.899 9.571 4.032 1.00 36.18 O HETATM 1532 O HOH 116 24.124 5.807 -0.243 1.00 34.25 O HETATM 1533 O HOH 117 13.302 8.440 -1.386 1.00 32.58 O HETATM 1534 N LEU A 118 23.863 9.191 5.925 1.00 0.24 N HETATM 1535 CA LEU A 118 24.804 9.160 7.085 1.00 0.07 C HETATM 1536 C LEU A 118 23.990 9.229 8.364 1.00 0.23 C HETATM 1537 O LEU A 118 24.506 9.005 9.449 1.00 -0.39 O HETATM 1538 N LEU A 118 22.714 9.559 8.226 1.00 -0.26 N HETATM 1539 CA LEU A 118 21.812 9.634 9.375 1.00 0.16 C HETATM 1540 C LEU A 118 20.777 8.513 9.224 1.00 0.21 C HETATM 1541 O LEU A 118 20.509 8.057 8.114 1.00 -0.39 O HETATM 1542 N LEU A 118 20.213 8.056 10.337 1.00 -0.26 N HETATM 1543 CA LEU A 118 19.183 7.021 10.260 1.00 0.14 C HETATM 1544 C LEU A 118 18.038 7.541 9.382 1.00 0.21 C HETATM 1545 O LEU A 118 17.575 6.840 8.498 1.00 -0.39 O HETATM 1546 N LEU A 118 17.588 8.774 9.625 1.00 -0.26 N HETATM 1547 CA LEU A 118 16.474 9.347 8.852 1.00 0.13 C HETATM 1548 C LEU A 118 16.715 9.319 7.336 1.00 0.20 C HETATM 1549 O LEU A 118 15.798 9.031 6.561 1.00 -0.39 O HETATM 1550 N LEU A 118 17.938 9.641 6.923 1.00 -0.26 N HETATM 1551 CA LEU A 118 18.308 9.641 5.504 1.00 0.14 C HETATM 1552 C LEU A 118 18.091 8.259 4.884 1.00 0.21 C HETATM 1553 O LEU A 118 17.478 8.137 3.829 1.00 -0.39 O HETATM 1554 N LEU A 118 18.615 7.226 5.533 1.00 -0.26 N HETATM 1555 CA LEU A 118 18.460 5.843 5.057 1.00 0.14 C HETATM 1556 C LEU A 118 17.007 5.381 5.127 1.00 0.21 C HETATM 1557 O LEU A 118 16.491 4.795 4.174 1.00 -0.39 O HETATM 1558 N LEU A 118 16.342 5.674 6.248 1.00 -0.26 N HETATM 1559 CA LEU A 118 14.962 5.242 6.432 1.00 0.14 C HETATM 1560 C LEU A 118 13.994 5.816 5.390 1.00 0.21 C HETATM 1561 O LEU A 118 13.114 5.119 4.884 1.00 -0.39 O HETATM 1562 N LEU A 118 14.161 7.087 5.074 1.00 -0.26 N HETATM 1563 CA LEU A 118 13.299 7.752 4.114 1.00 0.13 C HETATM 1564 C LEU A 118 13.343 7.064 2.749 1.00 0.20 C HETATM 1565 O LEU A 118 12.373 7.133 1.992 1.00 -0.39 O HETATM 1566 N LEU A 118 14.454 6.401 2.450 1.00 -0.26 N HETATM 1567 CA LEU A 118 14.626 5.712 1.171 1.00 0.13 C HETATM 1568 C LEU A 118 13.685 4.542 0.984 1.00 0.20 C HETATM 1569 O LEU A 118 13.422 4.138 -0.148 1.00 -0.39 O HETATM 1570 N LEU A 118 13.171 3.993 2.081 1.00 -0.26 N HETATM 1571 CA LEU A 118 12.288 2.851 1.977 1.00 0.13 C HETATM 1572 C LEU A 118 10.911 3.143 1.386 1.00 0.20 C HETATM 1573 O LEU A 118 10.206 2.220 1.001 1.00 -0.39 O HETATM 1574 N LEU A 118 10.536 4.408 1.321 1.00 -0.26 N HETATM 1575 CA LEU A 118 9.245 4.778 0.739 1.00 0.16 C HETATM 1576 C LEU A 118 9.455 5.843 -0.324 1.00 0.21 C HETATM 1577 O LEU A 118 10.392 6.637 -0.238 1.00 -0.39 O HETATM 1578 N LEU A 118 8.581 5.846 -1.328 1.00 -0.27 N HETATM 1579 CA LEU A 118 8.653 6.821 -2.405 1.00 0.12 C HETATM 1580 C LEU A 118 8.024 8.129 -1.945 1.00 0.06 C HETATM 1581 O LEU A 118 7.255 8.107 -0.949 1.00 -0.57 O HETATM 1582 OXT LEU A 118 8.277 9.163 -2.604 1.00 -0.57 O HETATM 1583 CB LEU A 118 7.902 6.306 -3.632 1.00 0.08 C HETATM 1584 OG LEU A 118 6.510 6.258 -3.363 1.00 -0.39 O HETATM 1585 H97 LEU A 118 6.051 5.937 -4.130 1.00 0.21 H HETATM 1586 H95 LEU A 118 8.260 5.296 -3.881 1.00 0.06 H HETATM 1587 H96 LEU A 118 8.086 6.980 -4.481 1.00 0.06 H HETATM 1588 H94 LEU A 118 9.707 6.994 -2.669 1.00 0.07 H HETATM 1589 H93 LEU A 118 7.855 5.159 -1.342 1.00 0.19 H HETATM 1590 CB LEU A 118 8.288 5.340 1.799 1.00 0.09 C HETATM 1591 OG1 LEU A 118 8.947 6.394 2.519 1.00 -0.39 O HETATM 1592 H89 LEU A 118 9.194 7.083 1.914 1.00 0.21 H HETATM 1593 CG2 LEU A 118 7.880 4.243 2.766 1.00 -0.03 C HETATM 1594 H90 LEU A 118 7.195 4.656 3.521 1.00 0.03 H HETATM 1595 H91 LEU A 118 8.775 3.841 3.264 1.00 0.03 H HETATM 1596 H92 LEU A 118 7.375 3.437 2.214 1.00 0.03 H HETATM 1597 H88 LEU A 118 7.391 5.740 1.304 1.00 0.06 H HETATM 1598 H87 LEU A 118 8.792 3.886 0.282 1.00 0.08 H HETATM 1599 H86 LEU A 118 11.142 5.121 1.674 1.00 0.19 H HETATM 1600 CB LEU A 118 12.144 2.175 3.334 1.00 -0.01 C HETATM 1601 CG LEU A 118 13.478 1.735 3.961 1.00 -0.04 C HETATM 1602 CD1 LEU A 118 13.157 1.039 5.288 1.00 -0.06 C HETATM 1603 H80 LEU A 118 14.092 0.710 5.765 1.00 0.02 H HETATM 1604 H81 LEU A 118 12.515 0.166 5.098 1.00 0.02 H HETATM 1605 H82 LEU A 118 12.633 1.741 5.953 1.00 0.02 H HETATM 1606 CD2 LEU A 118 14.255 0.797 3.035 1.00 -0.06 C HETATM 1607 H83 LEU A 118 14.475 1.315 2.090 1.00 0.02 H HETATM 1608 H84 LEU A 118 13.651 -0.099 2.830 1.00 0.02 H HETATM 1609 H85 LEU A 118 15.197 0.501 3.519 1.00 0.02 H HETATM 1610 H79 LEU A 118 14.095 2.624 4.156 1.00 0.03 H HETATM 1611 H77 LEU A 118 11.510 1.285 3.211 1.00 0.03 H HETATM 1612 H78 LEU A 118 11.655 2.881 4.022 1.00 0.03 H HETATM 1613 H76 LEU A 118 12.777 2.136 1.298 1.00 0.08 H HETATM 1614 H75 LEU A 118 13.395 4.370 2.980 1.00 0.19 H HETATM 1615 CB LEU A 118 16.056 5.190 1.021 1.00 0.00 C HETATM 1616 CG LEU A 118 17.126 6.236 1.239 1.00 0.04 C HETATM 1617 CD LEU A 118 17.036 7.365 0.232 1.00 0.17 C HETATM 1618 OE1 LEU A 118 16.004 8.035 0.128 1.00 -0.40 O HETATM 1619 NE2 LEU A 118 18.120 7.585 -0.517 1.00 -0.30 N HETATM 1620 H73 LEU A 118 18.117 8.317 -1.198 1.00 0.18 H HETATM 1621 H74 LEU A 118 18.934 7.017 -0.397 1.00 0.18 H HETATM 1622 H71 LEU A 118 18.113 5.758 1.148 1.00 0.05 H HETATM 1623 H72 LEU A 118 17.013 6.654 2.250 1.00 0.05 H HETATM 1624 H69 LEU A 118 16.171 4.787 0.004 1.00 0.03 H HETATM 1625 H70 LEU A 118 16.207 4.384 1.754 1.00 0.03 H HETATM 1626 H68 LEU A 118 14.431 6.441 0.371 1.00 0.08 H HETATM 1627 H67 LEU A 118 15.196 6.372 3.120 1.00 0.19 H HETATM 1628 CB LEU A 118 13.722 9.221 3.983 1.00 -0.02 C HETATM 1629 H64 LEU A 118 13.070 9.727 3.256 1.00 0.03 H HETATM 1630 H65 LEU A 118 14.765 9.273 3.638 1.00 0.03 H HETATM 1631 H66 LEU A 118 13.634 9.716 4.961 1.00 0.03 H HETATM 1632 H63 LEU A 118 12.265 7.713 4.488 1.00 0.08 H HETATM 1633 H62 LEU A 118 14.899 7.604 5.507 1.00 0.19 H HETATM 1634 CB LEU A 118 14.489 5.569 7.853 1.00 0.00 C HETATM 1635 CG LEU A 118 13.130 4.983 8.177 1.00 -0.04 C HETATM 1636 CD1 LEU A 118 11.920 5.610 8.119 1.00 0.02 C HETATM 1637 NE1 LEU A 118 10.911 4.727 8.453 1.00 -0.29 N HETATM 1638 CE2 LEU A 118 11.462 3.502 8.730 1.00 0.06 C HETATM 1639 CD2 LEU A 118 12.864 3.627 8.565 1.00 -0.02 C HETATM 1640 CE3 LEU A 118 13.677 2.506 8.785 1.00 -0.07 C HETATM 1641 CZ3 LEU A 118 13.066 1.295 9.169 1.00 -0.08 C HETATM 1642 CH2 LEU A 118 11.666 1.206 9.327 1.00 -0.08 C HETATM 1643 CZ2 LEU A 118 10.850 2.297 9.112 1.00 -0.04 C HETATM 1644 H59 LEU A 118 9.775 2.227 9.233 1.00 0.05 H HETATM 1645 H61 LEU A 118 11.224 0.262 9.623 1.00 0.05 H HETATM 1646 H60 LEU A 118 13.680 0.419 9.345 1.00 0.05 H HETATM 1647 H58 LEU A 118 14.752 2.569 8.662 1.00 0.05 H HETATM 1648 H57 LEU A 118 9.907 4.952 8.488 1.00 0.22 H HETATM 1649 H56 LEU A 118 11.771 6.654 7.849 1.00 0.08 H HETATM 1650 H54 LEU A 118 14.433 6.662 7.960 1.00 0.04 H HETATM 1651 H55 LEU A 118 15.223 5.167 8.567 1.00 0.04 H HETATM 1652 H53 LEU A 118 14.947 4.148 6.318 1.00 0.08 H HETATM 1653 H52 LEU A 118 16.797 6.196 6.970 1.00 0.19 H HETATM 1654 CB LEU A 118 19.311 4.909 5.903 1.00 0.02 C HETATM 1655 CG LEU A 118 20.794 5.167 5.723 1.00 -0.05 C HETATM 1656 CD1 LEU A 118 21.596 5.536 6.796 1.00 -0.07 C HETATM 1657 CE1 LEU A 118 22.958 5.808 6.613 1.00 -0.04 C HETATM 1658 CZ LEU A 118 23.504 5.704 5.331 1.00 0.08 C HETATM 1659 CE2 LEU A 118 22.723 5.337 4.257 1.00 -0.04 C HETATM 1660 CD2 LEU A 118 21.375 5.069 4.457 1.00 -0.07 C HETATM 1661 H48 LEU A 118 20.761 4.778 3.612 1.00 0.05 H HETATM 1662 H50 LEU A 118 23.156 5.258 3.266 1.00 0.05 H HETATM 1663 OH LEU A 118 24.829 5.962 5.109 1.00 -0.34 O HETATM 1664 H51 LEU A 118 25.245 6.202 5.928 1.00 0.25 H HETATM 1665 H49 LEU A 118 23.579 6.095 7.454 1.00 0.05 H HETATM 1666 H47 LEU A 118 21.163 5.614 7.787 1.00 0.05 H HETATM 1667 H45 LEU A 118 19.094 3.871 5.612 1.00 0.05 H HETATM 1668 H46 LEU A 118 19.052 5.055 6.962 1.00 0.05 H HETATM 1669 H44 LEU A 118 18.798 5.792 4.011 1.00 0.08 H HETATM 1670 H43 LEU A 118 19.132 7.394 6.373 1.00 0.19 H HETATM 1671 CB LEU A 118 19.778 10.043 5.349 1.00 0.01 C HETATM 1672 CG LEU A 118 20.314 9.836 3.968 1.00 -0.00 C HETATM 1673 ND1 LEU A 118 20.015 10.678 2.919 1.00 -0.33 N HETATM 1674 CE1 LEU A 118 20.563 10.205 1.811 1.00 0.09 C HETATM 1675 NE2 LEU A 118 21.206 9.087 2.104 1.00 -0.28 N HETATM 1676 CD2 LEU A 118 21.070 8.836 3.448 1.00 0.03 C HETATM 1677 H40 LEU A 118 21.490 7.992 3.994 1.00 0.07 H HETATM 1678 H42 LEU A 118 21.724 8.500 1.434 1.00 0.24 H HETATM 1679 H41 LEU A 118 20.496 10.660 0.824 1.00 0.12 H HETATM 1680 H38 LEU A 118 20.378 9.443 6.048 1.00 0.04 H HETATM 1681 H39 LEU A 118 19.876 11.109 5.604 1.00 0.04 H HETATM 1682 H37 LEU A 118 17.678 10.371 4.974 1.00 0.08 H HETATM 1683 H36 LEU A 118 18.628 9.891 7.603 1.00 0.19 H HETATM 1684 CB LEU A 118 16.188 10.795 9.281 1.00 -0.00 C HETATM 1685 CG LEU A 118 16.147 11.009 10.785 1.00 0.00 C HETATM 1686 CD LEU A 118 17.516 11.386 11.364 1.00 0.04 C HETATM 1687 OE1 LEU A 118 17.857 12.595 11.334 1.00 -0.57 O HETATM 1688 OE2 LEU A 118 18.245 10.478 11.828 1.00 -0.57 O HETATM 1689 H34 LEU A 118 15.806 10.079 11.264 1.00 0.04 H HETATM 1690 H35 LEU A 118 15.436 11.818 11.007 1.00 0.04 H HETATM 1691 H32 LEU A 118 15.214 11.091 8.865 1.00 0.03 H HETATM 1692 H33 LEU A 118 16.976 11.439 8.864 1.00 0.03 H HETATM 1693 H31 LEU A 118 15.580 8.742 9.063 1.00 0.08 H HETATM 1694 H30 LEU A 118 18.016 9.319 10.346 1.00 0.19 H HETATM 1695 CB LEU A 118 18.658 6.681 11.657 1.00 0.02 C HETATM 1696 CG LEU A 118 17.430 5.806 11.640 1.00 -0.04 C HETATM 1697 CD1 LEU A 118 17.529 4.467 11.317 1.00 -0.06 C HETATM 1698 CE1 LEU A 118 16.386 3.674 11.186 1.00 -0.07 C HETATM 1699 CZ LEU A 118 15.133 4.228 11.385 1.00 -0.07 C HETATM 1700 CE2 LEU A 118 15.019 5.587 11.726 1.00 -0.07 C HETATM 1701 CD2 LEU A 118 16.167 6.361 11.850 1.00 -0.06 C HETATM 1702 H26 LEU A 118 16.080 7.409 12.113 1.00 0.06 H HETATM 1703 H28 LEU A 118 14.043 6.028 11.891 1.00 0.06 H HETATM 1704 H29 LEU A 118 14.244 3.617 11.278 1.00 0.06 H HETATM 1705 H27 LEU A 118 16.480 2.625 10.929 1.00 0.06 H HETATM 1706 H25 LEU A 118 18.507 4.025 11.163 1.00 0.06 H HETATM 1707 H23 LEU A 118 18.410 7.620 12.174 1.00 0.05 H HETATM 1708 H24 LEU A 118 19.452 6.157 12.210 1.00 0.05 H HETATM 1709 H22 LEU A 118 19.610 6.114 9.807 1.00 0.08 H HETATM 1710 H21 LEU A 118 20.492 8.419 11.226 1.00 0.19 H HETATM 1711 CB LEU A 118 21.063 11.004 9.432 1.00 0.09 C HETATM 1712 OG1 LEU A 118 20.186 11.137 8.302 1.00 -0.39 O HETATM 1713 H17 LEU A 118 19.737 11.973 8.348 1.00 0.21 H HETATM 1714 CG2 LEU A 118 22.072 12.175 9.410 1.00 -0.03 C HETATM 1715 H18 LEU A 118 21.527 13.130 9.451 1.00 0.03 H HETATM 1716 H19 LEU A 118 22.665 12.131 8.485 1.00 0.03 H HETATM 1717 H20 LEU A 118 22.742 12.098 10.279 1.00 0.03 H HETATM 1718 H16 LEU A 118 20.473 11.050 10.359 1.00 0.06 H HETATM 1719 H15 LEU A 118 22.387 9.496 10.303 1.00 0.08 H HETATM 1720 H14 LEU A 118 22.359 9.762 7.313 1.00 0.19 H HETATM 1721 CB LEU A 118 25.765 10.357 7.026 1.00 0.01 C HETATM 1722 CG LEU A 118 26.788 10.338 5.887 1.00 -0.04 C HETATM 1723 CD1 LEU A 118 27.584 11.646 5.853 1.00 -0.06 C HETATM 1724 H8 LEU A 118 28.312 11.611 5.029 1.00 0.02 H HETATM 1725 H9 LEU A 118 28.116 11.776 6.807 1.00 0.02 H HETATM 1726 H10 LEU A 118 26.896 12.490 5.699 1.00 0.02 H HETATM 1727 CD2 LEU A 118 27.716 9.153 6.086 1.00 -0.06 C HETATM 1728 H11 LEU A 118 27.126 8.225 6.108 1.00 0.02 H HETATM 1729 H12 LEU A 118 28.256 9.266 7.037 1.00 0.02 H HETATM 1730 H13 LEU A 118 28.438 9.109 5.257 1.00 0.02 H HETATM 1731 H7 LEU A 118 26.258 10.223 4.930 1.00 0.03 H HETATM 1732 H5 LEU A 118 26.319 10.392 7.976 1.00 0.03 H HETATM 1733 H6 LEU A 118 25.160 11.270 6.921 1.00 0.03 H HETATM 1734 H4 LEU A 118 25.384 8.226 7.064 1.00 0.11 H HETATM 1735 H1 LEU A 118 24.388 9.146 5.066 1.00 0.20 H HETATM 1736 H2 LEU A 118 23.329 10.046 5.948 1.00 0.20 H HETATM 1737 H3 LEU A 118 23.238 8.402 5.979 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1534 1535 1735 1736 1737 CONECT 1535 1534 1536 1721 1734 CONECT 1536 1535 1537 1538 CONECT 1537 1536 CONECT 1538 1536 1539 1720 CONECT 1539 1538 1540 1711 1719 CONECT 1540 1539 1541 1542 CONECT 1541 1540 CONECT 1542 1540 1543 1710 CONECT 1543 1542 1544 1695 1709 CONECT 1544 1543 1545 1546 CONECT 1545 1544 CONECT 1546 1544 1547 1694 CONECT 1547 1546 1548 1684 1693 CONECT 1548 1547 1549 1550 CONECT 1549 1548 CONECT 1550 1548 1551 1683 CONECT 1551 1550 1552 1671 1682 CONECT 1552 1551 1553 1554 CONECT 1553 1552 CONECT 1554 1552 1555 1670 CONECT 1555 1554 1556 1654 1669 CONECT 1556 1555 1557 1558 CONECT 1557 1556 CONECT 1558 1556 1559 1653 CONECT 1559 1558 1560 1634 1652 CONECT 1560 1559 1561 1562 CONECT 1561 1560 CONECT 1562 1560 1563 1633 CONECT 1563 1562 1564 1628 1632 CONECT 1564 1563 1565 1566 CONECT 1565 1564 CONECT 1566 1564 1567 1627 CONECT 1567 1566 1568 1615 1626 CONECT 1568 1567 1569 1570 CONECT 1569 1568 CONECT 1570 1568 1571 1614 CONECT 1571 1570 1572 1600 1613 CONECT 1572 1571 1573 1574 CONECT 1573 1572 CONECT 1574 1572 1575 1599 CONECT 1575 1574 1576 1590 1598 CONECT 1576 1575 1577 1578 CONECT 1577 1576 CONECT 1578 1576 1579 1589 CONECT 1579 1578 1580 1583 1588 CONECT 1580 1579 1581 1582 CONECT 1581 1580 CONECT 1582 1580 CONECT 1583 1579 1584 1586 1587 CONECT 1584 1583 1585 CONECT 1585 1584 CONECT 1586 1583 CONECT 1587 1583 CONECT 1588 1579 CONECT 1589 1578 CONECT 1590 1575 1591 1593 1597 CONECT 1591 1590 1592 CONECT 1592 1591 CONECT 1593 1590 1594 1595 1596 CONECT 1594 1593 CONECT 1595 1593 CONECT 1596 1593 CONECT 1597 1590 CONECT 1598 1575 CONECT 1599 1574 CONECT 1600 1571 1601 1611 1612 CONECT 1601 1600 1602 1606 1610 CONECT 1602 1601 1603 1604 1605 CONECT 1603 1602 CONECT 1604 1602 CONECT 1605 1602 CONECT 1606 1601 1607 1608 1609 CONECT 1607 1606 CONECT 1608 1606 CONECT 1609 1606 CONECT 1610 1601 CONECT 1611 1600 CONECT 1612 1600 CONECT 1613 1571 CONECT 1614 1570 CONECT 1615 1567 1616 1624 1625 CONECT 1616 1615 1617 1622 1623 CONECT 1617 1616 1618 1619 CONECT 1618 1617 CONECT 1619 1617 1620 1621 CONECT 1620 1619 CONECT 1621 1619 CONECT 1622 1616 CONECT 1623 1616 CONECT 1624 1615 CONECT 1625 1615 CONECT 1626 1567 CONECT 1627 1566 CONECT 1628 1563 1629 1630 1631 CONECT 1629 1628 CONECT 1630 1628 CONECT 1631 1628 CONECT 1632 1563 CONECT 1633 1562 CONECT 1634 1559 1635 1650 1651 CONECT 1635 1634 1636 1639 CONECT 1636 1635 1637 1649 CONECT 1637 1636 1638 1648 CONECT 1638 1637 1639 1643 CONECT 1639 1635 1638 1640 CONECT 1640 1639 1641 1647 CONECT 1641 1640 1642 1646 CONECT 1642 1641 1643 1645 CONECT 1643 1638 1642 1644 CONECT 1644 1643 CONECT 1645 1642 CONECT 1646 1641 CONECT 1647 1640 CONECT 1648 1637 CONECT 1649 1636 CONECT 1650 1634 CONECT 1651 1634 CONECT 1652 1559 CONECT 1653 1558 CONECT 1654 1555 1655 1667 1668 CONECT 1655 1654 1656 1660 CONECT 1656 1655 1657 1666 CONECT 1657 1656 1658 1665 CONECT 1658 1657 1659 1663 CONECT 1659 1658 1660 1662 CONECT 1660 1655 1659 1661 CONECT 1661 1660 CONECT 1662 1659 CONECT 1663 1658 1664 CONECT 1664 1663 CONECT 1665 1657 CONECT 1666 1656 CONECT 1667 1654 CONECT 1668 1654 CONECT 1669 1555 CONECT 1670 1554 CONECT 1671 1551 1672 1680 1681 CONECT 1672 1671 1673 1676 CONECT 1673 1672 1674 CONECT 1674 1673 1675 1679 CONECT 1675 1674 1676 1678 CONECT 1676 1672 1675 1677 CONECT 1677 1676 CONECT 1678 1675 CONECT 1679 1674 CONECT 1680 1671 CONECT 1681 1671 CONECT 1682 1551 CONECT 1683 1550 CONECT 1684 1547 1685 1691 1692 CONECT 1685 1684 1686 1689 1690 CONECT 1686 1685 1687 1688 CONECT 1687 1686 CONECT 1688 1686 CONECT 1689 1685 CONECT 1690 1685 CONECT 1691 1684 CONECT 1692 1684 CONECT 1693 1547 CONECT 1694 1546 CONECT 1695 1543 1696 1707 1708 CONECT 1696 1695 1697 1701 CONECT 1697 1696 1698 1706 CONECT 1698 1697 1699 1705 CONECT 1699 1698 1700 1704 CONECT 1700 1699 1701 1703 CONECT 1701 1696 1700 1702 CONECT 1702 1701 CONECT 1703 1700 CONECT 1704 1699 CONECT 1705 1698 CONECT 1706 1697 CONECT 1707 1695 CONECT 1708 1695 CONECT 1709 1543 CONECT 1710 1542 CONECT 1711 1539 1712 1714 1718 CONECT 1712 1711 1713 CONECT 1713 1712 CONECT 1714 1711 1715 1716 1717 CONECT 1715 1714 CONECT 1716 1714 CONECT 1717 1714 CONECT 1718 1711 CONECT 1719 1539 CONECT 1720 1538 CONECT 1721 1535 1722 1732 1733 CONECT 1722 1721 1723 1727 1731 CONECT 1723 1722 1724 1725 1726 CONECT 1724 1723 CONECT 1725 1723 CONECT 1726 1723 CONECT 1727 1722 1728 1729 1730 CONECT 1728 1727 CONECT 1729 1727 CONECT 1730 1727 CONECT 1731 1722 CONECT 1732 1721 CONECT 1733 1721 CONECT 1734 1535 CONECT 1735 1534 CONECT 1736 1534 CONECT 1737 1534 MASTER 0 0 0 0 0 0 0 0 1736 1 208 7 END
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PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3jzo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Protein Mdm4
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=3nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) J.Biol.Chem. Vol. 285: pp. 2174-2183
Ligand Properties
Formula
C
7
1
H
9
9
N
1
6
O
2
0
Molecular Weight
1496.640
Exact Mass
1495.720
No. of atoms
206
No. of bonds
210
Polar Surface Area
590.82
LOGP Value
-0.47 (
Computed with XLOGP3
)
0.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 57
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 5
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CC(C)C)[NH3+])Cc1ccccc1)CCC(=O)O)Cc1nc[nH]c1)Cc1ccc(cc1)O)C)CCC(=O)N)CC(C)C
InChI String
InChI=1S/C71H98N16O20/c1-35(2)25-46(72)61(96)86-58(38(6)89)69(104)84-52(27-40-13-9-8-10-14-40)65(100)79-49(22-24-57(93)94)63(98)83-54(30-43-32-74-34-76-43)67(102)81-51(28-41-17-19-44(91)20-18-41)66(101)82-53(29-42-31-75-47-16-12-11-15-45(42)47)64(99)77-37(5)60(95)78-48(21-23-56(73)92)62(97)80-50(26-36(3)4)68(103)87-59(39(7)90)70(105)85-55(33-88)71(106)107/h8-20,31-32,34-39,46,48-55,58-59,75,88-91H,21-30,33,72H2,1-7H3,(H2,73,92)(H,74,76)(H,77,99)(H,78,95)(H,79,100)(H,80,97)(H,81,102)(H,82,101)(H,83,98)(H,84,104)(H,85,105)(H,86,96)(H,87,103)(H,93,94)(H,106,107)/p+1/t37-,38+,39+,46-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O15151
Entrez Gene ID
NCBI Entrez Gene ID:
4194
ASD
Information of known allosteric effects of PDB entries
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