Browse entries in the PDBbind-CN Database
HEADER 3JZP_COMPLEX COMPND 3JZP_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 212 207 ATOM 1 N GLN A 23 10.398 1.485 -3.331 1.00 14.29 N ATOM 2 CA GLN A 23 10.044 2.155 -2.047 1.00 10.58 C ATOM 3 C GLN A 23 8.796 1.436 -1.533 1.00 14.23 C ATOM 4 O GLN A 23 7.974 0.961 -2.324 1.00 13.72 O ATOM 5 CB GLN A 23 9.862 3.662 -2.292 1.00 12.97 C ATOM 6 CG GLN A 23 11.243 4.316 -2.567 1.00 17.17 C ATOM 7 CD GLN A 23 11.209 5.752 -3.114 1.00 20.43 C ATOM 8 OE1 GLN A 23 10.654 6.011 -4.181 1.00 23.44 O ATOM 9 NE2 GLN A 23 11.842 6.684 -2.392 1.00 19.53 N ATOM 10 HA GLN A 23 10.820 2.088 -1.285 1.00 0.00 H ATOM 11 HB2 GLN A 23 9.211 3.814 -3.153 1.00 0.00 H ATOM 12 HB3 GLN A 23 9.412 4.121 -1.412 1.00 0.00 H ATOM 13 HG2 GLN A 23 11.799 4.328 -1.630 1.00 0.00 H ATOM 14 HG3 GLN A 23 11.769 3.695 -3.292 1.00 0.00 H ATOM 15 HE22 GLN A 23 12.299 6.425 -1.495 1.00 0.00 H ATOM 16 HE21 GLN A 23 11.877 7.668 -2.728 1.00 0.00 H ATOM 17 HN3 GLN A 23 9.606 1.578 -3.999 1.00 0.00 H ATOM 18 HN2 GLN A 23 10.588 0.478 -3.154 1.00 0.00 H ATOM 19 HN1 GLN A 23 11.246 1.934 -3.732 1.00 0.00 H ATOM 20 N ILE A 24 8.660 1.348 -0.218 1.00 11.30 N ATOM 21 CA ILE A 24 7.571 0.565 0.385 1.00 13.08 C ATOM 22 C ILE A 24 6.151 1.014 0.066 1.00 11.94 C ATOM 23 O ILE A 24 5.213 0.198 0.099 1.00 13.70 O ATOM 24 CB ILE A 24 7.794 0.436 1.942 1.00 12.78 C ATOM 25 CG1 ILE A 24 6.884 -0.639 2.523 1.00 12.53 C ATOM 26 CG2 ILE A 24 7.573 1.783 2.655 1.00 12.48 C ATOM 27 CD1 ILE A 24 7.185 -2.034 2.018 1.00 16.21 C ATOM 28 HA ILE A 24 7.637 -0.411 -0.096 1.00 0.00 H ATOM 29 HB ILE A 24 8.830 0.141 2.109 1.00 0.00 H ATOM 30 HG12 ILE A 24 6.995 -0.634 3.607 1.00 0.00 H ATOM 31 HG13 ILE A 24 5.854 -0.394 2.264 1.00 0.00 H ATOM 32 HD11 ILE A 24 7.067 -2.060 0.935 1.00 0.00 H ATOM 33 HD12 ILE A 24 8.209 -2.301 2.279 1.00 0.00 H ATOM 34 HD13 ILE A 24 6.495 -2.742 2.477 1.00 0.00 H ATOM 35 HG21 ILE A 24 8.276 2.519 2.264 1.00 0.00 H ATOM 36 HG22 ILE A 24 6.553 2.123 2.478 1.00 0.00 H ATOM 37 HG23 ILE A 24 7.735 1.657 3.725 1.00 0.00 H ATOM 38 H ILE A 24 9.336 1.842 0.399 1.00 0.00 H ATOM 39 N ASN A 25 5.983 2.295 -0.249 1.00 11.55 N ATOM 40 CA ASN A 25 4.654 2.811 -0.568 1.00 11.61 C ATOM 41 C ASN A 25 4.353 2.754 -2.069 1.00 12.70 C ATOM 42 O ASN A 25 3.349 3.320 -2.513 1.00 13.57 O ATOM 43 CB ASN A 25 4.509 4.264 -0.076 1.00 13.11 C ATOM 44 CG ASN A 25 5.446 5.211 -0.778 1.00 13.54 C ATOM 45 OD1 ASN A 25 6.624 4.925 -0.916 1.00 14.29 O ATOM 46 ND2 ASN A 25 4.929 6.366 -1.211 1.00 14.43 N ATOM 47 HA ASN A 25 3.936 2.170 -0.055 1.00 0.00 H ATOM 48 HB2 ASN A 25 3.485 4.592 -0.252 1.00 0.00 H ATOM 49 HB3 ASN A 25 4.719 4.293 0.993 1.00 0.00 H ATOM 50 HD22 ASN A 25 3.918 6.568 -1.072 1.00 0.00 H ATOM 51 HD21 ASN A 25 5.538 7.062 -1.687 1.00 0.00 H ATOM 52 H ASN A 25 6.803 2.934 -0.268 1.00 0.00 H ATOM 53 N GLN A 26 5.228 2.108 -2.842 1.00 10.54 N ATOM 54 CA GLN A 26 5.006 1.970 -4.275 1.00 10.56 C ATOM 55 C GLN A 26 4.676 0.537 -4.677 1.00 11.79 C ATOM 56 O GLN A 26 4.963 -0.415 -3.937 1.00 13.33 O ATOM 57 CB GLN A 26 6.232 2.441 -5.042 1.00 15.14 C ATOM 58 CG GLN A 26 6.600 3.885 -4.753 1.00 24.01 C ATOM 59 CD GLN A 26 6.535 4.763 -5.971 1.00 29.89 C ATOM 60 OE1 GLN A 26 7.200 4.504 -6.968 1.00 31.76 O ATOM 61 NE2 GLN A 26 5.736 5.826 -5.895 1.00 33.96 N ATOM 62 HA GLN A 26 4.146 2.591 -4.525 1.00 0.00 H ATOM 63 HB2 GLN A 26 7.076 1.807 -4.770 1.00 0.00 H ATOM 64 HB3 GLN A 26 6.033 2.341 -6.109 1.00 0.00 H ATOM 65 HG2 GLN A 26 5.910 4.276 -4.005 1.00 0.00 H ATOM 66 HG3 GLN A 26 7.616 3.913 -4.358 1.00 0.00 H ATOM 67 HE22 GLN A 26 5.190 6.006 -5.028 1.00 0.00 H ATOM 68 HE21 GLN A 26 5.658 6.476 -6.703 1.00 0.00 H ATOM 69 H GLN A 26 6.082 1.696 -2.415 1.00 0.00 H ATOM 70 N VAL A 27 4.043 0.402 -5.843 1.00 11.55 N ATOM 71 CA VAL A 27 3.671 -0.896 -6.402 1.00 9.67 C ATOM 72 C VAL A 27 4.001 -0.862 -7.888 1.00 10.95 C ATOM 73 O VAL A 27 4.103 0.213 -8.496 1.00 10.52 O ATOM 74 CB VAL A 27 2.140 -1.181 -6.232 1.00 11.58 C ATOM 75 CG1 VAL A 27 1.778 -1.149 -4.757 1.00 14.36 C ATOM 76 CG2 VAL A 27 1.307 -0.139 -6.985 1.00 12.56 C ATOM 77 HA VAL A 27 4.217 -1.682 -5.879 1.00 0.00 H ATOM 78 HB VAL A 27 1.922 -2.166 -6.646 1.00 0.00 H ATOM 79 HG11 VAL A 27 2.350 -1.910 -4.227 1.00 0.00 H ATOM 80 HG12 VAL A 27 2.012 -0.166 -4.348 1.00 0.00 H ATOM 81 HG13 VAL A 27 0.712 -1.348 -4.641 1.00 0.00 H ATOM 82 HG21 VAL A 27 1.527 0.853 -6.591 1.00 0.00 H ATOM 83 HG22 VAL A 27 1.556 -0.174 -8.046 1.00 0.00 H ATOM 84 HG23 VAL A 27 0.247 -0.358 -6.852 1.00 0.00 H ATOM 85 H VAL A 27 3.803 1.260 -6.379 1.00 0.00 H ATOM 86 N ARG A 28 4.168 -2.038 -8.480 1.00 8.83 N ATOM 87 CA ARG A 28 4.484 -2.111 -9.903 1.00 10.41 C ATOM 88 C ARG A 28 3.344 -2.850 -10.591 1.00 8.81 C ATOM 89 O ARG A 28 3.201 -4.082 -10.466 1.00 10.13 O ATOM 90 CB ARG A 28 5.821 -2.857 -10.133 1.00 11.13 C ATOM 91 CG ARG A 28 6.141 -3.084 -11.621 1.00 11.43 C ATOM 92 CD ARG A 28 7.410 -3.973 -11.859 1.00 12.52 C ATOM 93 NE ARG A 28 8.622 -3.234 -11.535 1.00 14.87 N ATOM 94 CZ ARG A 28 9.207 -2.345 -12.331 1.00 15.73 C ATOM 95 NH1 ARG A 28 8.720 -2.073 -13.539 1.00 15.29 N ATOM 96 NH2 ARG A 28 10.260 -1.678 -11.894 1.00 20.18 N ATOM 97 HA ARG A 28 4.595 -1.107 -10.313 1.00 0.00 H ATOM 98 HB2 ARG A 28 6.626 -2.270 -9.691 1.00 0.00 H ATOM 99 HB3 ARG A 28 5.766 -3.827 -9.638 1.00 0.00 H ATOM 100 HG2 ARG A 28 5.285 -3.572 -12.088 1.00 0.00 H ATOM 101 HG3 ARG A 28 6.306 -2.114 -12.091 1.00 0.00 H ATOM 102 HD2 ARG A 28 7.444 -4.276 -12.905 1.00 0.00 H ATOM 103 HD3 ARG A 28 7.351 -4.859 -11.227 1.00 0.00 H ATOM 104 HE ARG A 28 9.063 -3.416 -10.611 1.00 0.00 H ATOM 105 HH12 ARG A 28 9.194 -1.374 -14.145 1.00 0.00 H ATOM 106 HH11 ARG A 28 7.865 -2.560 -13.877 1.00 0.00 H ATOM 107 HH22 ARG A 28 10.725 -0.980 -12.509 1.00 0.00 H ATOM 108 HH21 ARG A 28 10.624 -1.851 -10.935 1.00 0.00 H ATOM 109 H ARG A 28 4.073 -2.913 -7.926 1.00 0.00 H ATOM 110 N PRO A 29 2.473 -2.107 -11.293 1.00 8.38 N ATOM 111 CA PRO A 29 1.346 -2.741 -11.991 1.00 8.23 C ATOM 112 C PRO A 29 1.799 -3.737 -13.071 1.00 10.14 C ATOM 113 O PRO A 29 2.738 -3.466 -13.817 1.00 11.62 O ATOM 114 CB PRO A 29 0.626 -1.551 -12.635 1.00 9.93 C ATOM 115 CG PRO A 29 0.920 -0.402 -11.698 1.00 9.10 C ATOM 116 CD PRO A 29 2.388 -0.635 -11.344 1.00 9.56 C ATOM 117 HA PRO A 29 0.726 -3.327 -11.313 1.00 0.00 H ATOM 118 HD3 PRO A 29 3.048 -0.228 -12.110 1.00 0.00 H ATOM 119 HD2 PRO A 29 2.636 -0.192 -10.380 1.00 0.00 H ATOM 120 HG3 PRO A 29 0.288 -0.445 -10.811 1.00 0.00 H ATOM 121 HG2 PRO A 29 0.781 0.558 -12.195 1.00 0.00 H ATOM 122 HB2 PRO A 29 1.020 -1.351 -13.631 1.00 0.00 H ATOM 123 HB3 PRO A 29 -0.446 -1.735 -12.700 1.00 0.00 H ATOM 124 N LYS A 30 1.135 -4.882 -13.148 1.00 10.85 N ATOM 125 CA LYS A 30 1.445 -5.823 -14.201 1.00 12.47 C ATOM 126 C LYS A 30 1.050 -5.187 -15.533 1.00 13.67 C ATOM 127 O LYS A 30 0.198 -4.301 -15.582 1.00 14.05 O ATOM 128 CB LYS A 30 0.700 -7.116 -13.954 1.00 11.95 C ATOM 129 CG LYS A 30 1.322 -7.861 -12.824 1.00 12.77 C ATOM 130 CD LYS A 30 0.715 -9.240 -12.703 1.00 18.37 C ATOM 131 CE LYS A 30 1.359 -10.005 -11.577 1.00 20.99 C ATOM 132 NZ LYS A 30 0.636 -11.305 -11.390 1.00 30.04 N ATOM 133 HA LYS A 30 2.509 -6.057 -14.223 1.00 0.00 H ATOM 134 HB2 LYS A 30 -0.339 -6.892 -13.710 1.00 0.00 H ATOM 135 HB3 LYS A 30 0.736 -7.730 -14.854 1.00 0.00 H ATOM 136 HG2 LYS A 30 2.393 -7.954 -13.002 1.00 0.00 H ATOM 137 HG3 LYS A 30 1.155 -7.312 -11.897 1.00 0.00 H ATOM 138 HD2 LYS A 30 -0.353 -9.146 -12.508 1.00 0.00 H ATOM 139 HD3 LYS A 30 0.866 -9.781 -13.637 1.00 0.00 H ATOM 140 HE2 LYS A 30 1.302 -9.420 -10.659 1.00 0.00 H ATOM 141 HE3 LYS A 30 2.404 -10.200 -11.818 1.00 0.00 H ATOM 142 HZ1 LYS A 30 -0.361 -11.116 -11.160 1.00 0.00 H ATOM 143 HZ2 LYS A 30 0.691 -11.860 -12.268 1.00 0.00 H ATOM 144 HZ3 LYS A 30 1.077 -11.837 -10.613 1.00 0.00 H ATOM 145 H LYS A 30 0.393 -5.103 -12.453 1.00 0.00 H ATOM 146 N LEU A 31 1.673 -5.651 -16.615 1.00 14.91 N ATOM 147 CA LEU A 31 1.479 -5.081 -17.940 1.00 14.89 C ATOM 148 C LEU A 31 0.079 -4.679 -18.394 1.00 13.28 C ATOM 149 O LEU A 31 -0.123 -3.525 -18.792 1.00 12.99 O ATOM 150 CB LEU A 31 2.152 -5.984 -18.993 1.00 18.58 C ATOM 151 CG LEU A 31 3.672 -6.100 -18.796 1.00 21.16 C ATOM 152 CD1 LEU A 31 4.235 -7.051 -19.836 1.00 25.72 C ATOM 153 CD2 LEU A 31 4.352 -4.728 -18.892 1.00 23.64 C ATOM 154 HA LEU A 31 1.955 -4.105 -17.844 1.00 0.00 H ATOM 155 HB2 LEU A 31 1.715 -6.981 -18.928 1.00 0.00 H ATOM 156 HB3 LEU A 31 1.960 -5.569 -19.982 1.00 0.00 H ATOM 157 HG LEU A 31 3.871 -6.491 -17.798 1.00 0.00 H ATOM 158 HD21 LEU A 31 4.161 -4.297 -19.875 1.00 0.00 H ATOM 159 HD22 LEU A 31 3.951 -4.070 -18.121 1.00 0.00 H ATOM 160 HD23 LEU A 31 5.426 -4.845 -18.748 1.00 0.00 H ATOM 161 HD11 LEU A 31 3.773 -8.031 -19.718 1.00 0.00 H ATOM 162 HD12 LEU A 31 4.022 -6.665 -20.833 1.00 0.00 H ATOM 163 HD13 LEU A 31 5.313 -7.138 -19.701 1.00 0.00 H ATOM 164 H LEU A 31 2.325 -6.454 -16.509 1.00 0.00 H ATOM 165 N PRO A 32 -0.902 -5.592 -18.341 1.00 12.87 N ATOM 166 CA PRO A 32 -2.208 -5.111 -18.800 1.00 11.77 C ATOM 167 C PRO A 32 -2.789 -3.998 -17.956 1.00 11.55 C ATOM 168 O PRO A 32 -3.480 -3.134 -18.484 1.00 9.12 O ATOM 169 CB PRO A 32 -3.083 -6.357 -18.787 1.00 12.68 C ATOM 170 CG PRO A 32 -2.448 -7.220 -17.733 1.00 13.95 C ATOM 171 CD PRO A 32 -0.967 -7.007 -17.922 1.00 12.25 C ATOM 172 HA PRO A 32 -2.132 -4.651 -19.785 1.00 0.00 H ATOM 173 HD3 PRO A 32 -0.423 -7.169 -16.991 1.00 0.00 H ATOM 174 HD2 PRO A 32 -0.569 -7.666 -18.693 1.00 0.00 H ATOM 175 HG3 PRO A 32 -2.710 -8.268 -17.881 1.00 0.00 H ATOM 176 HG2 PRO A 32 -2.760 -6.906 -16.737 1.00 0.00 H ATOM 177 HB2 PRO A 32 -4.111 -6.109 -18.521 1.00 0.00 H ATOM 178 HB3 PRO A 32 -3.070 -6.853 -19.757 1.00 0.00 H ATOM 179 N LEU A 33 -2.561 -4.035 -16.642 1.00 11.08 N ATOM 180 CA LEU A 33 -3.077 -2.947 -15.819 1.00 11.40 C ATOM 181 C LEU A 33 -2.284 -1.659 -16.112 1.00 9.16 C ATOM 182 O LEU A 33 -2.836 -0.559 -16.092 1.00 10.39 O ATOM 183 CB LEU A 33 -3.009 -3.305 -14.329 1.00 9.61 C ATOM 184 CG LEU A 33 -3.475 -2.171 -13.381 1.00 10.47 C ATOM 185 CD1 LEU A 33 -4.923 -1.799 -13.689 1.00 9.60 C ATOM 186 CD2 LEU A 33 -3.364 -2.619 -11.920 1.00 8.14 C ATOM 187 HA LEU A 33 -4.125 -2.782 -16.068 1.00 0.00 H ATOM 188 HB2 LEU A 33 -3.641 -4.176 -14.157 1.00 0.00 H ATOM 189 HB3 LEU A 33 -1.976 -3.553 -14.084 1.00 0.00 H ATOM 190 HG LEU A 33 -2.835 -1.303 -13.537 1.00 0.00 H ATOM 191 HD21 LEU A 33 -3.991 -3.496 -11.762 1.00 0.00 H ATOM 192 HD22 LEU A 33 -2.327 -2.867 -11.695 1.00 0.00 H ATOM 193 HD23 LEU A 33 -3.695 -1.811 -11.267 1.00 0.00 H ATOM 194 HD11 LEU A 33 -4.998 -1.459 -14.722 1.00 0.00 H ATOM 195 HD12 LEU A 33 -5.559 -2.672 -13.546 1.00 0.00 H ATOM 196 HD13 LEU A 33 -5.242 -1.001 -13.018 1.00 0.00 H ATOM 197 H LEU A 33 -2.029 -4.820 -16.215 1.00 0.00 H ATOM 198 N LEU A 34 -0.986 -1.781 -16.392 1.00 9.40 N ATOM 199 CA LEU A 34 -0.184 -0.604 -16.692 1.00 9.28 C ATOM 200 C LEU A 34 -0.695 0.050 -17.963 1.00 9.73 C ATOM 201 O LEU A 34 -0.698 1.271 -18.070 1.00 11.39 O ATOM 202 CB LEU A 34 1.294 -0.962 -16.881 1.00 10.25 C ATOM 203 CG LEU A 34 2.289 0.194 -16.966 1.00 9.66 C ATOM 204 CD1 LEU A 34 2.326 0.980 -15.664 1.00 9.70 C ATOM 205 CD2 LEU A 34 3.664 -0.378 -17.293 1.00 12.73 C ATOM 206 HA LEU A 34 -0.270 0.080 -15.848 1.00 0.00 H ATOM 207 HB2 LEU A 34 1.590 -1.588 -16.039 1.00 0.00 H ATOM 208 HB3 LEU A 34 1.377 -1.535 -17.805 1.00 0.00 H ATOM 209 HG LEU A 34 1.980 0.886 -17.750 1.00 0.00 H ATOM 210 HD21 LEU A 34 3.964 -1.072 -16.508 1.00 0.00 H ATOM 211 HD22 LEU A 34 3.620 -0.904 -18.247 1.00 0.00 H ATOM 212 HD23 LEU A 34 4.388 0.434 -17.358 1.00 0.00 H ATOM 213 HD11 LEU A 34 1.336 1.386 -15.458 1.00 0.00 H ATOM 214 HD12 LEU A 34 2.626 0.319 -14.851 1.00 0.00 H ATOM 215 HD13 LEU A 34 3.043 1.796 -15.754 1.00 0.00 H ATOM 216 H LEU A 34 -0.544 -2.722 -16.396 1.00 0.00 H ATOM 217 N LYS A 35 -1.105 -0.768 -18.928 1.00 11.24 N ATOM 218 CA LYS A 35 -1.630 -0.255 -20.190 1.00 12.49 C ATOM 219 C LYS A 35 -2.852 0.597 -19.921 1.00 11.14 C ATOM 220 O LYS A 35 -3.038 1.622 -20.548 1.00 12.19 O ATOM 221 CB LYS A 35 -2.003 -1.407 -21.124 1.00 17.78 C ATOM 222 CG LYS A 35 -0.849 -1.853 -22.012 1.00 28.22 C ATOM 223 CD LYS A 35 -0.575 -0.824 -23.129 1.00 32.72 C ATOM 224 CE LYS A 35 -1.806 -0.653 -24.020 1.00 35.45 C ATOM 225 NZ LYS A 35 -1.566 0.243 -25.185 1.00 36.27 N ATOM 226 HA LYS A 35 -0.860 0.348 -20.670 1.00 0.00 H ATOM 227 HB2 LYS A 35 -2.323 -2.255 -20.519 1.00 0.00 H ATOM 228 HB3 LYS A 35 -2.827 -1.085 -21.761 1.00 0.00 H ATOM 229 HG2 LYS A 35 0.048 -1.963 -21.402 1.00 0.00 H ATOM 230 HG3 LYS A 35 -1.099 -2.812 -22.465 1.00 0.00 H ATOM 231 HD2 LYS A 35 -0.323 0.136 -22.678 1.00 0.00 H ATOM 232 HD3 LYS A 35 0.262 -1.169 -23.736 1.00 0.00 H ATOM 233 HE2 LYS A 35 -2.613 -0.233 -23.420 1.00 0.00 H ATOM 234 HE3 LYS A 35 -2.104 -1.633 -24.392 1.00 0.00 H ATOM 235 HZ1 LYS A 35 -1.290 1.186 -24.844 1.00 0.00 H ATOM 236 HZ2 LYS A 35 -0.804 -0.151 -25.773 1.00 0.00 H ATOM 237 HZ3 LYS A 35 -2.437 0.318 -25.749 1.00 0.00 H ATOM 238 H LYS A 35 -1.050 -1.796 -18.780 1.00 0.00 H ATOM 239 N ILE A 36 -3.679 0.158 -18.977 1.00 10.70 N ATOM 240 CA ILE A 36 -4.873 0.906 -18.610 1.00 9.84 C ATOM 241 C ILE A 36 -4.480 2.233 -17.957 1.00 10.94 C ATOM 242 O ILE A 36 -5.036 3.276 -18.293 1.00 10.47 O ATOM 243 CB ILE A 36 -5.764 0.053 -17.675 1.00 12.89 C ATOM 244 CG1 ILE A 36 -6.415 -1.066 -18.507 1.00 15.31 C ATOM 245 CG2 ILE A 36 -6.833 0.910 -17.007 1.00 10.79 C ATOM 246 CD1 ILE A 36 -7.174 -2.081 -17.675 1.00 19.55 C ATOM 247 HA ILE A 36 -5.450 1.134 -19.506 1.00 0.00 H ATOM 248 HB ILE A 36 -5.150 -0.379 -16.885 1.00 0.00 H ATOM 249 HG12 ILE A 36 -7.110 -0.611 -19.213 1.00 0.00 H ATOM 250 HG13 ILE A 36 -5.631 -1.588 -19.056 1.00 0.00 H ATOM 251 HD11 ILE A 36 -6.491 -2.555 -16.970 1.00 0.00 H ATOM 252 HD12 ILE A 36 -7.971 -1.577 -17.128 1.00 0.00 H ATOM 253 HD13 ILE A 36 -7.604 -2.838 -18.331 1.00 0.00 H ATOM 254 HG21 ILE A 36 -6.354 1.692 -16.417 1.00 0.00 H ATOM 255 HG22 ILE A 36 -7.463 1.365 -17.772 1.00 0.00 H ATOM 256 HG23 ILE A 36 -7.444 0.285 -16.356 1.00 0.00 H ATOM 257 H ILE A 36 -3.469 -0.737 -18.491 1.00 0.00 H ATOM 258 N LEU A 37 -3.517 2.204 -17.033 1.00 9.83 N ATOM 259 CA LEU A 37 -3.092 3.433 -16.369 1.00 10.41 C ATOM 260 C LEU A 37 -2.485 4.408 -17.372 1.00 12.34 C ATOM 261 O LEU A 37 -2.779 5.605 -17.335 1.00 12.06 O ATOM 262 CB LEU A 37 -2.089 3.113 -15.244 1.00 11.04 C ATOM 263 CG LEU A 37 -2.615 2.102 -14.219 1.00 10.21 C ATOM 264 CD1 LEU A 37 -1.564 1.921 -13.111 1.00 10.22 C ATOM 265 CD2 LEU A 37 -3.903 2.578 -13.583 1.00 11.93 C ATOM 266 HA LEU A 37 -3.968 3.907 -15.927 1.00 0.00 H ATOM 267 HB2 LEU A 37 -1.184 2.707 -15.695 1.00 0.00 H ATOM 268 HB3 LEU A 37 -1.849 4.040 -14.722 1.00 0.00 H ATOM 269 HG LEU A 37 -2.807 1.162 -14.737 1.00 0.00 H ATOM 270 HD21 LEU A 37 -3.727 3.526 -13.075 1.00 0.00 H ATOM 271 HD22 LEU A 37 -4.660 2.713 -14.356 1.00 0.00 H ATOM 272 HD23 LEU A 37 -4.246 1.836 -12.862 1.00 0.00 H ATOM 273 HD11 LEU A 37 -0.636 1.553 -13.549 1.00 0.00 H ATOM 274 HD12 LEU A 37 -1.383 2.879 -12.624 1.00 0.00 H ATOM 275 HD13 LEU A 37 -1.931 1.203 -12.378 1.00 0.00 H ATOM 276 H LEU A 37 -3.067 1.300 -16.784 1.00 0.00 H ATOM 277 N HIS A 38 -1.651 3.907 -18.276 1.00 11.90 N ATOM 278 CA HIS A 38 -1.046 4.775 -19.293 1.00 12.99 C ATOM 279 C HIS A 38 -2.135 5.386 -20.189 1.00 12.01 C ATOM 280 O HIS A 38 -2.064 6.569 -20.542 1.00 13.90 O ATOM 281 CB HIS A 38 -0.050 3.978 -20.163 1.00 12.84 C ATOM 282 CG HIS A 38 1.250 3.697 -19.481 1.00 14.34 C ATOM 283 ND1 HIS A 38 2.167 2.783 -19.962 1.00 15.54 N ATOM 284 CD2 HIS A 38 1.780 4.199 -18.342 1.00 14.74 C ATOM 285 CE1 HIS A 38 3.202 2.735 -19.145 1.00 17.03 C ATOM 286 NE2 HIS A 38 2.991 3.582 -18.153 1.00 14.12 N ATOM 287 HA HIS A 38 -0.510 5.575 -18.782 1.00 0.00 H ATOM 288 HB2 HIS A 38 -0.511 3.027 -20.432 1.00 0.00 H ATOM 289 HB3 HIS A 38 0.152 4.551 -21.068 1.00 0.00 H ATOM 290 HD2 HIS A 38 1.330 4.952 -17.696 1.00 0.00 H ATOM 291 HE1 HIS A 38 4.082 2.104 -19.268 1.00 0.00 H ATOM 292 H HIS A 38 -1.425 2.892 -18.263 1.00 0.00 H ATOM 293 N ALA A 39 -3.129 4.583 -20.562 1.00 11.71 N ATOM 294 CA ALA A 39 -4.241 5.082 -21.396 1.00 12.32 C ATOM 295 C ALA A 39 -4.900 6.306 -20.752 1.00 15.00 C ATOM 296 O ALA A 39 -5.362 7.215 -21.456 1.00 15.02 O ATOM 297 CB ALA A 39 -5.295 3.979 -21.591 1.00 13.25 C ATOM 298 HA ALA A 39 -3.832 5.371 -22.364 1.00 0.00 H ATOM 299 HB1 ALA A 39 -4.835 3.122 -22.084 1.00 0.00 H ATOM 300 HB2 ALA A 39 -5.685 3.675 -20.620 1.00 0.00 H ATOM 301 HB3 ALA A 39 -6.109 4.361 -22.208 1.00 0.00 H ATOM 302 H ALA A 39 -3.122 3.588 -20.261 1.00 0.00 H ATOM 303 N ALA A 40 -4.951 6.323 -19.417 1.00 12.51 N ATOM 304 CA ALA A 40 -5.561 7.431 -18.676 1.00 13.16 C ATOM 305 C ALA A 40 -4.606 8.587 -18.404 1.00 13.80 C ATOM 306 O ALA A 40 -4.951 9.567 -17.710 1.00 14.45 O ATOM 307 CB ALA A 40 -6.166 6.917 -17.365 1.00 15.17 C ATOM 308 HA ALA A 40 -6.346 7.834 -19.316 1.00 0.00 H ATOM 309 HB1 ALA A 40 -6.929 6.171 -17.586 1.00 0.00 H ATOM 310 HB2 ALA A 40 -5.382 6.467 -16.756 1.00 0.00 H ATOM 311 HB3 ALA A 40 -6.616 7.749 -16.823 1.00 0.00 H ATOM 312 H ALA A 40 -4.545 5.525 -18.887 1.00 0.00 H ATOM 313 N GLY A 41 -3.393 8.479 -18.925 1.00 13.47 N ATOM 314 CA GLY A 41 -2.437 9.562 -18.745 1.00 13.79 C ATOM 315 C GLY A 41 -1.267 9.350 -17.810 1.00 15.69 C ATOM 316 O GLY A 41 -0.459 10.259 -17.638 1.00 16.99 O ATOM 317 HA3 GLY A 41 -2.993 10.423 -18.374 1.00 0.00 H ATOM 318 HA2 GLY A 41 -2.025 9.793 -19.727 1.00 0.00 H ATOM 319 H GLY A 41 -3.126 7.627 -19.458 1.00 0.00 H ATOM 320 N ALA A 42 -1.171 8.176 -17.191 1.00 13.43 N ATOM 321 CA ALA A 42 -0.077 7.875 -16.274 1.00 13.17 C ATOM 322 C ALA A 42 1.241 7.718 -17.021 1.00 14.83 C ATOM 323 O ALA A 42 1.262 7.397 -18.221 1.00 13.64 O ATOM 324 CB ALA A 42 -0.379 6.581 -15.494 1.00 13.74 C ATOM 325 HA ALA A 42 0.014 8.710 -15.579 1.00 0.00 H ATOM 326 HB1 ALA A 42 -1.299 6.708 -14.924 1.00 0.00 H ATOM 327 HB2 ALA A 42 -0.496 5.755 -16.195 1.00 0.00 H ATOM 328 HB3 ALA A 42 0.445 6.368 -14.813 1.00 0.00 H ATOM 329 H ALA A 42 -1.897 7.452 -17.366 1.00 0.00 H ATOM 330 N GLN A 43 2.337 7.964 -16.310 1.00 14.39 N ATOM 331 CA GLN A 43 3.675 7.812 -16.870 1.00 17.40 C ATOM 332 C GLN A 43 4.515 7.010 -15.912 1.00 16.88 C ATOM 333 O GLN A 43 4.385 7.147 -14.693 1.00 19.63 O ATOM 334 CB GLN A 43 4.364 9.157 -17.055 1.00 18.48 C ATOM 335 CG GLN A 43 3.840 9.933 -18.219 1.00 26.09 C ATOM 336 CD GLN A 43 4.511 11.285 -18.343 1.00 26.40 C ATOM 337 OE1 GLN A 43 4.721 11.785 -19.453 1.00 23.80 O ATOM 338 NE2 GLN A 43 4.844 11.893 -17.198 1.00 27.20 N ATOM 339 HA GLN A 43 3.575 7.322 -17.838 1.00 0.00 H ATOM 340 HB2 GLN A 43 4.219 9.748 -16.151 1.00 0.00 H ATOM 341 HB3 GLN A 43 5.429 8.983 -17.206 1.00 0.00 H ATOM 342 HG2 GLN A 43 4.020 9.365 -19.132 1.00 0.00 H ATOM 343 HG3 GLN A 43 2.768 10.082 -18.090 1.00 0.00 H ATOM 344 HE22 GLN A 43 4.646 11.431 -16.287 1.00 0.00 H ATOM 345 HE21 GLN A 43 5.300 12.827 -17.219 1.00 0.00 H ATOM 346 H GLN A 43 2.237 8.275 -15.323 1.00 0.00 H ATOM 347 N GLY A 44 5.395 6.191 -16.459 1.00 14.26 N ATOM 348 CA GLY A 44 6.267 5.413 -15.603 1.00 14.97 C ATOM 349 C GLY A 44 5.806 4.001 -15.360 1.00 14.68 C ATOM 350 O GLY A 44 4.833 3.555 -15.958 1.00 15.26 O ATOM 351 HA3 GLY A 44 6.339 5.919 -14.640 1.00 0.00 H ATOM 352 HA2 GLY A 44 7.253 5.375 -16.066 1.00 0.00 H ATOM 353 H GLY A 44 5.461 6.106 -17.493 1.00 0.00 H ATOM 354 N GLU A 45 6.493 3.327 -14.437 1.00 13.10 N ATOM 355 CA GLU A 45 6.225 1.922 -14.124 1.00 11.11 C ATOM 356 C GLU A 45 5.841 1.624 -12.688 1.00 9.94 C ATOM 357 O GLU A 45 5.279 0.554 -12.401 1.00 11.18 O ATOM 358 CB GLU A 45 7.463 1.094 -14.473 1.00 13.93 C ATOM 359 CG GLU A 45 7.762 1.091 -15.960 1.00 16.64 C ATOM 360 CD GLU A 45 9.083 0.410 -16.315 1.00 22.70 C ATOM 361 OE1 GLU A 45 9.723 -0.172 -15.424 1.00 23.22 O ATOM 362 OE2 GLU A 45 9.470 0.463 -17.501 1.00 26.71 O ATOM 363 HA GLU A 45 5.352 1.660 -14.721 1.00 0.00 H ATOM 364 HB2 GLU A 45 8.321 1.509 -13.945 1.00 0.00 H ATOM 365 HB3 GLU A 45 7.300 0.067 -14.147 1.00 0.00 H ATOM 366 HG2 GLU A 45 6.955 0.568 -16.473 1.00 0.00 H ATOM 367 HG3 GLU A 45 7.802 2.124 -16.306 1.00 0.00 H ATOM 368 H GLU A 45 7.249 3.819 -13.919 1.00 0.00 H ATOM 369 N MET A 46 6.192 2.524 -11.772 1.00 10.66 N ATOM 370 CA MET A 46 5.876 2.322 -10.362 1.00 8.20 C ATOM 371 C MET A 46 5.029 3.488 -9.870 1.00 10.67 C ATOM 372 O MET A 46 5.229 4.648 -10.267 1.00 11.40 O ATOM 373 CB MET A 46 7.161 2.177 -9.551 1.00 13.13 C ATOM 374 CG MET A 46 7.949 0.949 -9.980 1.00 13.77 C ATOM 375 SD MET A 46 9.479 0.732 -9.055 1.00 20.20 S ATOM 376 CE MET A 46 10.437 2.067 -9.713 1.00 18.88 C ATOM 377 HA MET A 46 5.305 1.402 -10.235 1.00 0.00 H ATOM 378 HB2 MET A 46 7.777 3.064 -9.699 1.00 0.00 H ATOM 379 HB3 MET A 46 6.906 2.085 -8.495 1.00 0.00 H ATOM 380 HG2 MET A 46 8.194 1.046 -11.038 1.00 0.00 H ATOM 381 HG3 MET A 46 7.326 0.067 -9.832 1.00 0.00 H ATOM 382 HE1 MET A 46 10.549 1.936 -10.789 1.00 0.00 H ATOM 383 HE2 MET A 46 9.930 3.010 -9.512 1.00 0.00 H ATOM 384 HE3 MET A 46 11.420 2.074 -9.242 1.00 0.00 H ATOM 385 H MET A 46 6.699 3.383 -12.066 1.00 0.00 H ATOM 386 N PHE A 47 4.085 3.174 -8.998 1.00 9.37 N ATOM 387 CA PHE A 47 3.125 4.169 -8.517 1.00 10.51 C ATOM 388 C PHE A 47 2.688 3.925 -7.105 1.00 10.60 C ATOM 389 O PHE A 47 2.833 2.832 -6.589 1.00 11.06 O ATOM 390 CB PHE A 47 1.842 4.088 -9.346 1.00 10.31 C ATOM 391 CG PHE A 47 2.046 4.250 -10.827 1.00 10.33 C ATOM 392 CD1 PHE A 47 1.994 5.522 -11.418 1.00 9.85 C ATOM 393 CD2 PHE A 47 2.288 3.148 -11.630 1.00 11.24 C ATOM 394 CE1 PHE A 47 2.179 5.678 -12.779 1.00 11.87 C ATOM 395 CE2 PHE A 47 2.479 3.286 -13.002 1.00 13.95 C ATOM 396 CZ PHE A 47 2.424 4.553 -13.584 1.00 14.49 C ATOM 397 HA PHE A 47 3.634 5.130 -8.594 1.00 0.00 H ATOM 398 HB2 PHE A 47 1.383 3.115 -9.170 1.00 0.00 H ATOM 399 HB3 PHE A 47 1.167 4.874 -9.007 1.00 0.00 H ATOM 400 HD2 PHE A 47 2.330 2.156 -11.180 1.00 0.00 H ATOM 401 HE2 PHE A 47 2.671 2.408 -13.619 1.00 0.00 H ATOM 402 HZ PHE A 47 2.570 4.669 -14.658 1.00 0.00 H ATOM 403 HE1 PHE A 47 2.135 6.671 -13.226 1.00 0.00 H ATOM 404 HD1 PHE A 47 1.805 6.397 -10.796 1.00 0.00 H ATOM 405 H PHE A 47 4.023 2.197 -8.646 1.00 0.00 H ATOM 406 N THR A 48 2.127 4.953 -6.475 1.00 9.89 N ATOM 407 CA THR A 48 1.585 4.750 -5.145 1.00 11.52 C ATOM 408 C THR A 48 0.175 4.210 -5.381 1.00 12.46 C ATOM 409 O THR A 48 -0.351 4.327 -6.489 1.00 9.72 O ATOM 410 CB THR A 48 1.439 6.069 -4.363 1.00 13.12 C ATOM 411 OG1 THR A 48 0.527 6.940 -5.050 1.00 12.37 O ATOM 412 CG2 THR A 48 2.790 6.754 -4.223 1.00 11.21 C ATOM 413 HA THR A 48 2.241 4.095 -4.571 1.00 0.00 H ATOM 414 HB THR A 48 1.052 5.846 -3.369 1.00 0.00 H ATOM 415 HG1 THR A 48 0.436 7.786 -4.544 1.00 0.00 H ATOM 416 HG23 THR A 48 3.480 6.091 -3.701 1.00 0.00 H ATOM 417 HG21 THR A 48 3.184 6.984 -5.213 1.00 0.00 H ATOM 418 HG22 THR A 48 2.671 7.676 -3.655 1.00 0.00 H ATOM 419 H THR A 48 2.078 5.888 -6.929 1.00 0.00 H ATOM 420 N VAL A 49 -0.438 3.628 -4.355 1.00 10.35 N ATOM 421 CA VAL A 49 -1.802 3.123 -4.508 1.00 12.64 C ATOM 422 C VAL A 49 -2.753 4.278 -4.836 1.00 11.35 C ATOM 423 O VAL A 49 -3.641 4.162 -5.689 1.00 9.70 O ATOM 424 CB VAL A 49 -2.251 2.366 -3.249 1.00 11.94 C ATOM 425 CG1 VAL A 49 -3.740 2.015 -3.338 1.00 11.95 C ATOM 426 CG2 VAL A 49 -1.436 1.079 -3.142 1.00 11.57 C ATOM 427 HA VAL A 49 -1.825 2.415 -5.337 1.00 0.00 H ATOM 428 HB VAL A 49 -2.093 2.994 -2.373 1.00 0.00 H ATOM 429 HG11 VAL A 49 -4.323 2.931 -3.428 1.00 0.00 H ATOM 430 HG12 VAL A 49 -3.912 1.386 -4.211 1.00 0.00 H ATOM 431 HG13 VAL A 49 -4.040 1.479 -2.438 1.00 0.00 H ATOM 432 HG21 VAL A 49 -1.609 0.466 -4.027 1.00 0.00 H ATOM 433 HG22 VAL A 49 -0.377 1.326 -3.071 1.00 0.00 H ATOM 434 HG23 VAL A 49 -1.743 0.529 -2.252 1.00 0.00 H ATOM 435 H VAL A 49 0.053 3.532 -3.443 1.00 0.00 H ATOM 436 N LYS A 50 -2.545 5.432 -4.223 1.00 12.05 N ATOM 437 CA LYS A 50 -3.416 6.530 -4.567 1.00 12.31 C ATOM 438 C LYS A 50 -3.298 6.871 -6.049 1.00 11.97 C ATOM 439 O LYS A 50 -4.298 7.222 -6.675 1.00 11.18 O ATOM 440 CB LYS A 50 -3.093 7.760 -3.740 1.00 14.56 C ATOM 441 CG LYS A 50 -3.783 7.781 -2.387 1.00 19.19 C ATOM 442 CD LYS A 50 -3.575 9.187 -1.819 1.00 23.08 C ATOM 443 CE LYS A 50 -4.156 9.370 -0.431 1.00 30.15 C ATOM 444 NZ LYS A 50 -3.619 10.675 0.092 1.00 33.29 N ATOM 445 HA LYS A 50 -4.438 6.217 -4.352 1.00 0.00 H ATOM 446 HB2 LYS A 50 -2.016 7.794 -3.578 1.00 0.00 H ATOM 447 HB3 LYS A 50 -3.403 8.643 -4.299 1.00 0.00 H ATOM 448 HG2 LYS A 50 -4.847 7.574 -2.503 1.00 0.00 H ATOM 449 HG3 LYS A 50 -3.339 7.037 -1.725 1.00 0.00 H ATOM 450 HD2 LYS A 50 -2.504 9.387 -1.774 1.00 0.00 H ATOM 451 HD3 LYS A 50 -4.049 9.904 -2.489 1.00 0.00 H ATOM 452 HE2 LYS A 50 -3.848 8.550 0.217 1.00 0.00 H ATOM 453 HE3 LYS A 50 -5.244 9.404 -0.480 1.00 0.00 H ATOM 454 HZ1 LYS A 50 -2.580 10.632 0.127 1.00 0.00 H ATOM 455 HZ2 LYS A 50 -3.914 11.448 -0.539 1.00 0.00 H ATOM 456 HZ3 LYS A 50 -3.993 10.844 1.048 1.00 0.00 H ATOM 457 H LYS A 50 -1.785 5.543 -3.522 1.00 0.00 H ATOM 458 N GLU A 51 -2.083 6.827 -6.607 1.00 9.00 N ATOM 459 CA GLU A 51 -1.931 7.123 -8.030 1.00 8.18 C ATOM 460 C GLU A 51 -2.631 6.073 -8.876 1.00 7.96 C ATOM 461 O GLU A 51 -3.313 6.403 -9.836 1.00 8.66 O ATOM 462 CB GLU A 51 -0.458 7.187 -8.436 1.00 9.51 C ATOM 463 CG GLU A 51 0.221 8.441 -7.885 1.00 14.61 C ATOM 464 CD GLU A 51 1.721 8.460 -8.128 1.00 18.94 C ATOM 465 OE1 GLU A 51 2.361 7.397 -8.033 1.00 12.79 O ATOM 466 OE2 GLU A 51 2.272 9.557 -8.385 1.00 21.29 O ATOM 467 HA GLU A 51 -2.387 8.098 -8.203 1.00 0.00 H ATOM 468 HB2 GLU A 51 0.055 6.307 -8.049 1.00 0.00 H ATOM 469 HB3 GLU A 51 -0.390 7.196 -9.524 1.00 0.00 H ATOM 470 HG2 GLU A 51 -0.220 9.315 -8.365 1.00 0.00 H ATOM 471 HG3 GLU A 51 0.042 8.490 -6.811 1.00 0.00 H ATOM 472 H GLU A 51 -1.252 6.584 -6.032 1.00 0.00 H ATOM 473 N VAL A 52 -2.455 4.802 -8.539 1.00 8.29 N ATOM 474 CA VAL A 52 -3.134 3.754 -9.298 1.00 7.97 C ATOM 475 C VAL A 52 -4.659 3.985 -9.303 1.00 9.47 C ATOM 476 O VAL A 52 -5.304 3.908 -10.342 1.00 9.44 O ATOM 477 CB VAL A 52 -2.824 2.352 -8.707 1.00 7.06 C ATOM 478 CG1 VAL A 52 -3.745 1.301 -9.294 1.00 9.50 C ATOM 479 CG2 VAL A 52 -1.366 1.988 -9.001 1.00 9.43 C ATOM 480 HA VAL A 52 -2.763 3.795 -10.322 1.00 0.00 H ATOM 481 HB VAL A 52 -2.987 2.384 -7.630 1.00 0.00 H ATOM 482 HG11 VAL A 52 -4.779 1.557 -9.065 1.00 0.00 H ATOM 483 HG12 VAL A 52 -3.609 1.264 -10.375 1.00 0.00 H ATOM 484 HG13 VAL A 52 -3.506 0.329 -8.863 1.00 0.00 H ATOM 485 HG21 VAL A 52 -1.207 1.973 -10.079 1.00 0.00 H ATOM 486 HG22 VAL A 52 -0.709 2.729 -8.546 1.00 0.00 H ATOM 487 HG23 VAL A 52 -1.148 1.004 -8.586 1.00 0.00 H ATOM 488 H VAL A 52 -1.838 4.553 -7.740 1.00 0.00 H ATOM 489 N MET A 53 -5.234 4.273 -8.145 1.00 8.68 N ATOM 490 CA MET A 53 -6.671 4.486 -8.062 1.00 9.07 C ATOM 491 C MET A 53 -7.083 5.731 -8.851 1.00 10.04 C ATOM 492 O MET A 53 -8.132 5.749 -9.500 1.00 10.41 O ATOM 493 CB MET A 53 -7.100 4.631 -6.601 1.00 10.25 C ATOM 494 CG MET A 53 -6.907 3.352 -5.789 1.00 10.83 C ATOM 495 SD MET A 53 -7.924 2.019 -6.465 1.00 12.19 S ATOM 496 CE MET A 53 -9.516 2.528 -5.957 1.00 11.84 C ATOM 497 HA MET A 53 -7.169 3.620 -8.497 1.00 0.00 H ATOM 498 HB2 MET A 53 -6.510 5.425 -6.143 1.00 0.00 H ATOM 499 HB3 MET A 53 -8.155 4.903 -6.575 1.00 0.00 H ATOM 500 HG2 MET A 53 -7.196 3.536 -4.754 1.00 0.00 H ATOM 501 HG3 MET A 53 -5.858 3.058 -5.825 1.00 0.00 H ATOM 502 HE1 MET A 53 -9.546 2.591 -4.869 1.00 0.00 H ATOM 503 HE2 MET A 53 -9.737 3.506 -6.385 1.00 0.00 H ATOM 504 HE3 MET A 53 -10.255 1.804 -6.301 1.00 0.00 H ATOM 505 H MET A 53 -4.652 4.348 -7.286 1.00 0.00 H ATOM 506 N HIS A 54 -6.255 6.762 -8.797 1.00 9.31 N ATOM 507 CA HIS A 54 -6.552 7.983 -9.537 1.00 9.46 C ATOM 508 C HIS A 54 -6.630 7.703 -11.038 1.00 11.34 C ATOM 509 O HIS A 54 -7.598 8.072 -11.688 1.00 11.42 O ATOM 510 CB HIS A 54 -5.484 9.047 -9.303 1.00 9.13 C ATOM 511 CG HIS A 54 -5.552 10.177 -10.290 1.00 16.05 C ATOM 512 ND1 HIS A 54 -6.541 11.142 -10.253 1.00 17.76 N ATOM 513 CD2 HIS A 54 -4.822 10.429 -11.406 1.00 14.04 C ATOM 514 CE1 HIS A 54 -6.421 11.934 -11.304 1.00 18.08 C ATOM 515 NE2 HIS A 54 -5.388 11.522 -12.021 1.00 17.12 N ATOM 516 HA HIS A 54 -7.514 8.347 -9.175 1.00 0.00 H ATOM 517 HB2 HIS A 54 -5.613 9.454 -8.300 1.00 0.00 H ATOM 518 HB3 HIS A 54 -4.503 8.577 -9.380 1.00 0.00 H ATOM 519 HD2 HIS A 54 -3.951 9.871 -11.750 1.00 0.00 H ATOM 520 HE1 HIS A 54 -7.064 12.782 -11.540 1.00 0.00 H ATOM 521 H HIS A 54 -5.389 6.701 -8.224 1.00 0.00 H ATOM 522 N TYR A 55 -5.610 7.066 -11.596 1.00 10.57 N ATOM 523 CA TYR A 55 -5.642 6.798 -13.034 1.00 8.12 C ATOM 524 C TYR A 55 -6.681 5.747 -13.424 1.00 8.90 C ATOM 525 O TYR A 55 -7.273 5.863 -14.483 1.00 9.77 O ATOM 526 CB TYR A 55 -4.250 6.412 -13.544 1.00 10.24 C ATOM 527 CG TYR A 55 -3.289 7.579 -13.529 1.00 13.43 C ATOM 528 CD1 TYR A 55 -3.468 8.669 -14.379 1.00 14.49 C ATOM 529 CD2 TYR A 55 -2.212 7.593 -12.653 1.00 15.67 C ATOM 530 CE1 TYR A 55 -2.578 9.751 -14.342 1.00 14.40 C ATOM 531 CE2 TYR A 55 -1.332 8.659 -12.611 1.00 18.65 C ATOM 532 CZ TYR A 55 -1.522 9.729 -13.455 1.00 18.49 C ATOM 533 OH TYR A 55 -0.629 10.774 -13.386 1.00 24.25 O ATOM 534 HA TYR A 55 -5.949 7.725 -13.518 1.00 0.00 H ATOM 535 HB3 TYR A 55 -4.340 6.045 -14.566 1.00 0.00 H ATOM 536 HB2 TYR A 55 -3.851 5.621 -12.909 1.00 0.00 H ATOM 537 HD2 TYR A 55 -2.057 6.746 -11.984 1.00 0.00 H ATOM 538 HE2 TYR A 55 -0.494 8.652 -11.914 1.00 0.00 H ATOM 539 HE1 TYR A 55 -2.719 10.602 -15.008 1.00 0.00 H ATOM 540 HD1 TYR A 55 -4.305 8.680 -15.077 1.00 0.00 H ATOM 541 HH TYR A 55 0.281 10.443 -13.591 1.00 0.00 H ATOM 542 H TYR A 55 -4.799 6.761 -11.020 1.00 0.00 H ATOM 543 N LEU A 56 -6.928 4.743 -12.585 1.00 10.26 N ATOM 544 CA LEU A 56 -7.947 3.751 -12.925 1.00 9.17 C ATOM 545 C LEU A 56 -9.334 4.410 -12.912 1.00 10.04 C ATOM 546 O LEU A 56 -10.176 4.111 -13.762 1.00 9.22 O ATOM 547 CB LEU A 56 -7.891 2.582 -11.948 1.00 10.14 C ATOM 548 CG LEU A 56 -8.857 1.419 -12.159 1.00 13.31 C ATOM 549 CD1 LEU A 56 -8.684 0.829 -13.563 1.00 16.06 C ATOM 550 CD2 LEU A 56 -8.584 0.386 -11.101 1.00 13.65 C ATOM 551 HA LEU A 56 -7.755 3.364 -13.926 1.00 0.00 H ATOM 552 HB2 LEU A 56 -6.881 2.175 -11.988 1.00 0.00 H ATOM 553 HB3 LEU A 56 -8.080 2.983 -10.952 1.00 0.00 H ATOM 554 HG LEU A 56 -9.888 1.764 -12.077 1.00 0.00 H ATOM 555 HD21 LEU A 56 -7.554 0.040 -11.190 1.00 0.00 H ATOM 556 HD22 LEU A 56 -8.737 0.827 -10.116 1.00 0.00 H ATOM 557 HD23 LEU A 56 -9.264 -0.456 -11.233 1.00 0.00 H ATOM 558 HD11 LEU A 56 -8.887 1.599 -14.307 1.00 0.00 H ATOM 559 HD12 LEU A 56 -7.662 0.468 -13.681 1.00 0.00 H ATOM 560 HD13 LEU A 56 -9.380 0.001 -13.696 1.00 0.00 H ATOM 561 H LEU A 56 -6.399 4.665 -11.693 1.00 0.00 H ATOM 562 N GLY A 57 -9.549 5.332 -11.974 1.00 8.37 N ATOM 563 CA GLY A 57 -10.821 6.067 -11.911 1.00 8.66 C ATOM 564 C GLY A 57 -10.974 6.939 -13.156 1.00 9.41 C ATOM 565 O GLY A 57 -12.056 7.020 -13.749 1.00 10.05 O ATOM 566 HA3 GLY A 57 -10.831 6.698 -11.023 1.00 0.00 H ATOM 567 HA2 GLY A 57 -11.647 5.358 -11.861 1.00 0.00 H ATOM 568 H GLY A 57 -8.805 5.535 -11.276 1.00 0.00 H ATOM 569 N GLN A 58 -9.889 7.588 -13.561 1.00 10.69 N ATOM 570 CA GLN A 58 -9.914 8.446 -14.761 1.00 11.46 C ATOM 571 C GLN A 58 -10.221 7.615 -16.013 1.00 12.95 C ATOM 572 O GLN A 58 -10.942 8.048 -16.900 1.00 9.43 O ATOM 573 CB GLN A 58 -8.576 9.172 -14.943 1.00 12.90 C ATOM 574 CG GLN A 58 -8.337 10.269 -13.947 1.00 20.54 C ATOM 575 CD GLN A 58 -9.417 11.333 -14.030 1.00 26.46 C ATOM 576 OE1 GLN A 58 -9.739 11.814 -15.119 1.00 23.92 O ATOM 577 NE2 GLN A 58 -9.985 11.700 -12.878 1.00 28.14 N ATOM 578 HA GLN A 58 -10.701 9.187 -14.622 1.00 0.00 H ATOM 579 HB2 GLN A 58 -7.773 8.441 -14.848 1.00 0.00 H ATOM 580 HB3 GLN A 58 -8.554 9.606 -15.943 1.00 0.00 H ATOM 581 HG2 GLN A 58 -8.333 9.844 -12.943 1.00 0.00 H ATOM 582 HG3 GLN A 58 -7.369 10.728 -14.149 1.00 0.00 H ATOM 583 HE22 GLN A 58 -9.678 11.264 -11.985 1.00 0.00 H ATOM 584 HE21 GLN A 58 -10.734 12.421 -12.874 1.00 0.00 H ATOM 585 H GLN A 58 -9.005 7.490 -13.022 1.00 0.00 H ATOM 586 N TYR A 59 -9.650 6.422 -16.085 1.00 8.70 N ATOM 587 CA TYR A 59 -9.891 5.534 -17.208 1.00 10.61 C ATOM 588 C TYR A 59 -11.399 5.240 -17.289 1.00 12.53 C ATOM 589 O TYR A 59 -12.025 5.319 -18.347 1.00 11.16 O ATOM 590 CB TYR A 59 -9.136 4.229 -16.973 1.00 10.21 C ATOM 591 CG TYR A 59 -9.291 3.184 -18.044 1.00 9.89 C ATOM 592 CD1 TYR A 59 -8.483 3.187 -19.189 1.00 11.33 C ATOM 593 CD2 TYR A 59 -10.191 2.137 -17.879 1.00 10.96 C ATOM 594 CE1 TYR A 59 -8.580 2.150 -20.133 1.00 13.65 C ATOM 595 CE2 TYR A 59 -10.283 1.119 -18.793 1.00 10.50 C ATOM 596 CZ TYR A 59 -9.486 1.120 -19.912 1.00 13.89 C ATOM 597 OH TYR A 59 -9.622 0.082 -20.810 1.00 16.39 O ATOM 598 HA TYR A 59 -9.552 5.995 -18.136 1.00 0.00 H ATOM 599 HB3 TYR A 59 -9.489 3.802 -16.034 1.00 0.00 H ATOM 600 HB2 TYR A 59 -8.076 4.466 -16.887 1.00 0.00 H ATOM 601 HD2 TYR A 59 -10.839 2.125 -17.002 1.00 0.00 H ATOM 602 HE2 TYR A 59 -10.991 0.306 -18.631 1.00 0.00 H ATOM 603 HE1 TYR A 59 -7.954 2.154 -21.025 1.00 0.00 H ATOM 604 HD1 TYR A 59 -7.774 3.999 -19.349 1.00 0.00 H ATOM 605 HH TYR A 59 -10.549 0.066 -21.156 1.00 0.00 H ATOM 606 H TYR A 59 -9.015 6.115 -15.321 1.00 0.00 H ATOM 607 N ILE A 60 -11.984 4.884 -16.158 1.00 8.45 N ATOM 608 CA ILE A 60 -13.414 4.559 -16.134 1.00 8.58 C ATOM 609 C ILE A 60 -14.264 5.769 -16.491 1.00 9.34 C ATOM 610 O ILE A 60 -15.245 5.644 -17.217 1.00 9.23 O ATOM 611 CB ILE A 60 -13.810 4.009 -14.746 1.00 7.62 C ATOM 612 CG1 ILE A 60 -13.137 2.630 -14.577 1.00 9.94 C ATOM 613 CG2 ILE A 60 -15.328 3.921 -14.601 1.00 11.23 C ATOM 614 CD1 ILE A 60 -13.188 2.075 -13.141 1.00 9.39 C ATOM 615 HA ILE A 60 -13.600 3.792 -16.886 1.00 0.00 H ATOM 616 HB ILE A 60 -13.469 4.683 -13.960 1.00 0.00 H ATOM 617 HG12 ILE A 60 -13.639 1.921 -15.236 1.00 0.00 H ATOM 618 HG13 ILE A 60 -12.092 2.721 -14.872 1.00 0.00 H ATOM 619 HD11 ILE A 60 -12.679 2.765 -12.468 1.00 0.00 H ATOM 620 HD12 ILE A 60 -14.228 1.965 -12.832 1.00 0.00 H ATOM 621 HD13 ILE A 60 -12.693 1.104 -13.110 1.00 0.00 H ATOM 622 HG21 ILE A 60 -15.761 4.914 -14.719 1.00 0.00 H ATOM 623 HG22 ILE A 60 -15.727 3.256 -15.367 1.00 0.00 H ATOM 624 HG23 ILE A 60 -15.575 3.531 -13.614 1.00 0.00 H ATOM 625 H ILE A 60 -11.427 4.834 -15.281 1.00 0.00 H ATOM 626 N MET A 61 -13.889 6.935 -15.978 1.00 8.62 N ATOM 627 CA MET A 61 -14.641 8.159 -16.252 1.00 12.48 C ATOM 628 C MET A 61 -14.560 8.626 -17.703 1.00 12.03 C ATOM 629 O MET A 61 -15.585 8.886 -18.334 1.00 11.69 O ATOM 630 CB MET A 61 -14.142 9.292 -15.365 1.00 16.19 C ATOM 631 CG MET A 61 -14.332 9.017 -13.910 1.00 25.49 C ATOM 632 SD MET A 61 -13.821 10.424 -12.918 1.00 40.56 S ATOM 633 CE MET A 61 -15.036 11.621 -13.454 1.00 29.23 C ATOM 634 HA MET A 61 -15.681 7.911 -16.042 1.00 0.00 H ATOM 635 HB2 MET A 61 -13.079 9.441 -15.555 1.00 0.00 H ATOM 636 HB3 MET A 61 -14.687 10.201 -15.622 1.00 0.00 H ATOM 637 HG2 MET A 61 -13.736 8.148 -13.630 1.00 0.00 H ATOM 638 HG3 MET A 61 -15.385 8.810 -13.720 1.00 0.00 H ATOM 639 HE1 MET A 61 -14.943 11.775 -14.529 1.00 0.00 H ATOM 640 HE2 MET A 61 -16.035 11.251 -13.224 1.00 0.00 H ATOM 641 HE3 MET A 61 -14.868 12.565 -12.935 1.00 0.00 H ATOM 642 H MET A 61 -13.046 6.979 -15.371 1.00 0.00 H ATOM 643 N VAL A 62 -13.350 8.738 -18.235 1.00 12.01 N ATOM 644 CA VAL A 62 -13.215 9.218 -19.611 1.00 13.12 C ATOM 645 C VAL A 62 -13.737 8.238 -20.648 1.00 15.52 C ATOM 646 O VAL A 62 -14.204 8.650 -21.704 1.00 15.58 O ATOM 647 CB VAL A 62 -11.763 9.608 -19.940 1.00 15.18 C ATOM 648 CG1 VAL A 62 -11.266 10.604 -18.892 1.00 17.53 C ATOM 649 CG2 VAL A 62 -10.868 8.378 -20.002 1.00 20.31 C ATOM 650 HA VAL A 62 -13.843 10.108 -19.665 1.00 0.00 H ATOM 651 HB VAL A 62 -11.728 10.077 -20.923 1.00 0.00 H ATOM 652 HG11 VAL A 62 -11.898 11.492 -18.908 1.00 0.00 H ATOM 653 HG12 VAL A 62 -11.309 10.143 -17.905 1.00 0.00 H ATOM 654 HG13 VAL A 62 -10.238 10.885 -19.119 1.00 0.00 H ATOM 655 HG21 VAL A 62 -10.884 7.870 -19.038 1.00 0.00 H ATOM 656 HG22 VAL A 62 -11.233 7.703 -20.776 1.00 0.00 H ATOM 657 HG23 VAL A 62 -9.848 8.684 -20.236 1.00 0.00 H ATOM 658 H VAL A 62 -12.507 8.487 -17.680 1.00 0.00 H ATOM 659 N LYS A 63 -13.676 6.950 -20.350 1.00 12.16 N ATOM 660 CA LYS A 63 -14.209 5.969 -21.294 1.00 12.47 C ATOM 661 C LYS A 63 -15.705 5.836 -21.059 1.00 12.17 C ATOM 662 O LYS A 63 -16.380 5.138 -21.798 1.00 12.53 O ATOM 663 CB LYS A 63 -13.558 4.607 -21.097 1.00 11.15 C ATOM 664 CG LYS A 63 -12.061 4.638 -21.351 1.00 22.59 C ATOM 665 CD LYS A 63 -11.635 3.695 -22.442 1.00 26.00 C ATOM 666 CE LYS A 63 -11.989 2.278 -22.132 1.00 27.73 C ATOM 667 NZ LYS A 63 -11.449 1.381 -23.194 1.00 30.51 N ATOM 668 HA LYS A 63 -14.000 6.309 -22.308 1.00 0.00 H ATOM 669 HB2 LYS A 63 -13.733 4.280 -20.072 1.00 0.00 H ATOM 670 HB3 LYS A 63 -14.016 3.897 -21.786 1.00 0.00 H ATOM 671 HG2 LYS A 63 -11.777 5.651 -21.635 1.00 0.00 H ATOM 672 HG3 LYS A 63 -11.546 4.362 -20.431 1.00 0.00 H ATOM 673 HD2 LYS A 63 -12.128 3.985 -23.370 1.00 0.00 H ATOM 674 HD3 LYS A 63 -10.555 3.768 -22.568 1.00 0.00 H ATOM 675 HE2 LYS A 63 -13.073 2.176 -22.088 1.00 0.00 H ATOM 676 HE3 LYS A 63 -11.560 1.999 -21.169 1.00 0.00 H ATOM 677 HZ1 LYS A 63 -11.859 1.647 -24.112 1.00 0.00 H ATOM 678 HZ2 LYS A 63 -10.414 1.477 -23.234 1.00 0.00 H ATOM 679 HZ3 LYS A 63 -11.698 0.396 -22.974 1.00 0.00 H ATOM 680 H LYS A 63 -13.253 6.639 -19.453 1.00 0.00 H ATOM 681 N GLN A 64 -16.207 6.527 -20.041 1.00 11.21 N ATOM 682 CA GLN A 64 -17.612 6.501 -19.650 1.00 11.59 C ATOM 683 C GLN A 64 -18.119 5.082 -19.558 1.00 9.67 C ATOM 684 O GLN A 64 -19.100 4.731 -20.189 1.00 10.49 O ATOM 685 CB GLN A 64 -18.477 7.333 -20.612 1.00 14.41 C ATOM 686 CG GLN A 64 -18.170 8.828 -20.449 1.00 19.29 C ATOM 687 CD GLN A 64 -18.802 9.717 -21.502 1.00 28.31 C ATOM 688 OE1 GLN A 64 -18.727 10.945 -21.408 1.00 30.04 O ATOM 689 NE2 GLN A 64 -19.421 9.109 -22.514 1.00 31.42 N ATOM 690 HA GLN A 64 -17.689 6.954 -18.661 1.00 0.00 H ATOM 691 HB2 GLN A 64 -18.265 7.032 -21.638 1.00 0.00 H ATOM 692 HB3 GLN A 64 -19.530 7.156 -20.393 1.00 0.00 H ATOM 693 HG2 GLN A 64 -18.533 9.146 -19.472 1.00 0.00 H ATOM 694 HG3 GLN A 64 -17.089 8.961 -20.495 1.00 0.00 H ATOM 695 HE22 GLN A 64 -19.459 8.070 -22.552 1.00 0.00 H ATOM 696 HE21 GLN A 64 -19.866 9.673 -23.266 1.00 0.00 H ATOM 697 H GLN A 64 -15.558 7.123 -19.489 1.00 0.00 H ATOM 698 N LEU A 65 -17.429 4.257 -18.779 1.00 8.97 N ATOM 699 CA LEU A 65 -17.851 2.872 -18.593 1.00 9.92 C ATOM 700 C LEU A 65 -18.925 2.724 -17.507 1.00 11.02 C ATOM 701 O LEU A 65 -19.635 1.720 -17.454 1.00 12.00 O ATOM 702 CB LEU A 65 -16.645 2.002 -18.215 1.00 8.73 C ATOM 703 CG LEU A 65 -15.489 1.938 -19.212 1.00 9.40 C ATOM 704 CD1 LEU A 65 -14.428 0.981 -18.654 1.00 9.82 C ATOM 705 CD2 LEU A 65 -15.988 1.469 -20.591 1.00 12.80 C ATOM 706 HA LEU A 65 -18.281 2.545 -19.540 1.00 0.00 H ATOM 707 HB2 LEU A 65 -16.247 2.384 -17.275 1.00 0.00 H ATOM 708 HB3 LEU A 65 -17.008 0.985 -18.068 1.00 0.00 H ATOM 709 HG LEU A 65 -15.054 2.928 -19.347 1.00 0.00 H ATOM 710 HD21 LEU A 65 -16.430 0.477 -20.498 1.00 0.00 H ATOM 711 HD22 LEU A 65 -16.737 2.169 -20.962 1.00 0.00 H ATOM 712 HD23 LEU A 65 -15.149 1.430 -21.286 1.00 0.00 H ATOM 713 HD11 LEU A 65 -14.074 1.353 -17.693 1.00 0.00 H ATOM 714 HD12 LEU A 65 -14.866 -0.009 -18.523 1.00 0.00 H ATOM 715 HD13 LEU A 65 -13.592 0.920 -19.351 1.00 0.00 H ATOM 716 H LEU A 65 -16.576 4.603 -18.295 1.00 0.00 H ATOM 717 N TYR A 66 -19.055 3.728 -16.644 1.00 10.26 N ATOM 718 CA TYR A 66 -20.029 3.654 -15.559 1.00 10.91 C ATOM 719 C TYR A 66 -21.464 3.809 -16.059 1.00 12.15 C ATOM 720 O TYR A 66 -21.689 4.436 -17.088 1.00 13.17 O ATOM 721 CB TYR A 66 -19.701 4.737 -14.513 1.00 10.06 C ATOM 722 CG TYR A 66 -19.726 6.143 -15.050 1.00 12.45 C ATOM 723 CD1 TYR A 66 -20.920 6.854 -15.115 1.00 13.60 C ATOM 724 CD2 TYR A 66 -18.556 6.754 -15.534 1.00 11.01 C ATOM 725 CE1 TYR A 66 -20.968 8.122 -15.645 1.00 12.54 C ATOM 726 CE2 TYR A 66 -18.591 8.032 -16.071 1.00 13.75 C ATOM 727 CZ TYR A 66 -19.809 8.708 -16.120 1.00 13.18 C ATOM 728 OH TYR A 66 -19.877 9.986 -16.623 1.00 17.70 O ATOM 729 HA TYR A 66 -19.960 2.665 -15.106 1.00 0.00 H ATOM 730 HB3 TYR A 66 -18.705 4.540 -14.118 1.00 0.00 H ATOM 731 HB2 TYR A 66 -20.431 4.666 -13.707 1.00 0.00 H ATOM 732 HD2 TYR A 66 -17.609 6.216 -15.487 1.00 0.00 H ATOM 733 HE2 TYR A 66 -17.682 8.500 -16.448 1.00 0.00 H ATOM 734 HE1 TYR A 66 -21.914 8.662 -15.690 1.00 0.00 H ATOM 735 HD1 TYR A 66 -21.835 6.397 -14.739 1.00 0.00 H ATOM 736 HH TYR A 66 -20.813 10.307 -16.581 1.00 0.00 H ATOM 737 H TYR A 66 -18.457 4.573 -16.743 1.00 0.00 H ATOM 738 N ASP A 67 -22.424 3.229 -15.338 1.00 11.07 N ATOM 739 CA ASP A 67 -23.853 3.299 -15.666 1.00 11.45 C ATOM 740 C ASP A 67 -24.284 4.767 -15.465 1.00 14.23 C ATOM 741 O ASP A 67 -24.059 5.348 -14.421 1.00 14.93 O ATOM 742 CB ASP A 67 -24.590 2.338 -14.714 1.00 12.86 C ATOM 743 CG ASP A 67 -26.093 2.293 -14.915 1.00 18.13 C ATOM 744 OD1 ASP A 67 -26.653 1.176 -14.796 1.00 24.84 O ATOM 745 OD2 ASP A 67 -26.733 3.332 -15.136 1.00 16.51 O ATOM 746 HA ASP A 67 -24.081 3.004 -16.690 1.00 0.00 H ATOM 747 HB2 ASP A 67 -24.194 1.334 -14.868 1.00 0.00 H ATOM 748 HB3 ASP A 67 -24.391 2.652 -13.689 1.00 0.00 H ATOM 749 H ASP A 67 -22.143 2.694 -14.491 1.00 0.00 H ATOM 750 N GLN A 68 -24.881 5.374 -16.481 1.00 11.76 N ATOM 751 CA GLN A 68 -25.297 6.780 -16.387 1.00 11.36 C ATOM 752 C GLN A 68 -26.334 7.050 -15.280 1.00 11.40 C ATOM 753 O GLN A 68 -26.324 8.119 -14.654 1.00 11.74 O ATOM 754 CB GLN A 68 -25.852 7.223 -17.764 1.00 12.36 C ATOM 755 CG GLN A 68 -26.398 8.644 -17.815 1.00 16.52 C ATOM 756 CD GLN A 68 -25.313 9.683 -17.597 1.00 15.70 C ATOM 757 OE1 GLN A 68 -24.180 9.500 -18.020 1.00 19.57 O ATOM 758 NE2 GLN A 68 -25.666 10.787 -16.943 1.00 22.35 N ATOM 759 HA GLN A 68 -24.418 7.363 -16.112 1.00 0.00 H ATOM 760 HB2 GLN A 68 -25.046 7.144 -18.494 1.00 0.00 H ATOM 761 HB3 GLN A 68 -26.657 6.542 -18.039 1.00 0.00 H ATOM 762 HG2 GLN A 68 -26.853 8.811 -18.791 1.00 0.00 H ATOM 763 HG3 GLN A 68 -27.155 8.758 -17.039 1.00 0.00 H ATOM 764 HE22 GLN A 68 -26.642 10.899 -16.601 1.00 0.00 H ATOM 765 HE21 GLN A 68 -24.966 11.537 -16.774 1.00 0.00 H ATOM 766 H GLN A 68 -25.058 4.846 -17.359 1.00 0.00 H ATOM 767 N GLN A 69 -27.220 6.089 -15.016 1.00 12.24 N ATOM 768 CA GLN A 69 -28.259 6.272 -13.987 1.00 12.21 C ATOM 769 C GLN A 69 -27.803 5.890 -12.580 1.00 14.67 C ATOM 770 O GLN A 69 -28.150 6.558 -11.615 1.00 14.87 O ATOM 771 CB GLN A 69 -29.499 5.442 -14.319 1.00 17.26 C ATOM 772 CG GLN A 69 -30.156 5.816 -15.639 1.00 18.64 C ATOM 773 CD GLN A 69 -31.421 5.014 -15.890 1.00 16.88 C ATOM 774 OE1 GLN A 69 -32.414 5.540 -16.397 1.00 14.85 O ATOM 775 NE2 GLN A 69 -31.387 3.732 -15.545 1.00 21.81 N ATOM 776 HA GLN A 69 -28.483 7.339 -13.994 1.00 0.00 H ATOM 777 HB2 GLN A 69 -29.208 4.393 -14.366 1.00 0.00 H ATOM 778 HB3 GLN A 69 -30.229 5.580 -13.521 1.00 0.00 H ATOM 779 HG2 GLN A 69 -30.409 6.876 -15.619 1.00 0.00 H ATOM 780 HG3 GLN A 69 -29.452 5.627 -16.449 1.00 0.00 H ATOM 781 HE22 GLN A 69 -30.527 3.331 -15.120 1.00 0.00 H ATOM 782 HE21 GLN A 69 -32.220 3.130 -15.700 1.00 0.00 H ATOM 783 H GLN A 69 -27.177 5.195 -15.545 1.00 0.00 H ATOM 784 N GLU A 70 -27.061 4.790 -12.481 1.00 14.09 N ATOM 785 CA GLU A 70 -26.550 4.283 -11.201 1.00 11.91 C ATOM 786 C GLU A 70 -25.032 4.300 -11.374 1.00 12.44 C ATOM 787 O GLU A 70 -24.426 3.269 -11.665 1.00 11.49 O ATOM 788 CB GLU A 70 -27.037 2.858 -11.013 1.00 14.32 C ATOM 789 CG GLU A 70 -28.542 2.744 -11.056 1.00 23.15 C ATOM 790 CD GLU A 70 -29.114 2.430 -9.708 1.00 29.26 C ATOM 791 OE1 GLU A 70 -28.640 3.013 -8.711 1.00 30.80 O ATOM 792 OE2 GLU A 70 -30.037 1.600 -9.646 1.00 35.19 O ATOM 793 HA GLU A 70 -26.875 4.866 -10.339 1.00 0.00 H ATOM 794 HB2 GLU A 70 -26.618 2.239 -11.806 1.00 0.00 H ATOM 795 HB3 GLU A 70 -26.687 2.495 -10.047 1.00 0.00 H ATOM 796 HG2 GLU A 70 -28.958 3.689 -11.405 1.00 0.00 H ATOM 797 HG3 GLU A 70 -28.816 1.950 -11.750 1.00 0.00 H ATOM 798 H GLU A 70 -26.833 4.265 -13.349 1.00 0.00 H ATOM 799 N GLN A 71 -24.433 5.464 -11.140 1.00 11.97 N ATOM 800 CA GLN A 71 -23.014 5.651 -11.417 1.00 11.35 C ATOM 801 C GLN A 71 -21.980 4.911 -10.607 1.00 12.29 C ATOM 802 O GLN A 71 -20.787 5.042 -10.880 1.00 12.36 O ATOM 803 CB GLN A 71 -22.690 7.146 -11.457 1.00 9.95 C ATOM 804 CG GLN A 71 -23.711 7.957 -12.326 1.00 11.00 C ATOM 805 CD GLN A 71 -23.078 9.140 -13.031 1.00 9.86 C ATOM 806 OE1 GLN A 71 -21.969 9.570 -12.684 1.00 10.65 O ATOM 807 NE2 GLN A 71 -23.785 9.694 -14.029 1.00 13.22 N ATOM 808 HA GLN A 71 -22.910 5.158 -12.383 1.00 0.00 H ATOM 809 HB2 GLN A 71 -22.709 7.536 -10.439 1.00 0.00 H ATOM 810 HB3 GLN A 71 -21.692 7.277 -11.876 1.00 0.00 H ATOM 811 HG2 GLN A 71 -24.135 7.291 -13.077 1.00 0.00 H ATOM 812 HG3 GLN A 71 -24.506 8.324 -11.677 1.00 0.00 H ATOM 813 HE22 GLN A 71 -24.713 9.302 -14.289 1.00 0.00 H ATOM 814 HE21 GLN A 71 -23.405 10.515 -14.542 1.00 0.00 H ATOM 815 H GLN A 71 -24.986 6.255 -10.753 1.00 0.00 H ATOM 816 N HIS A 72 -22.427 4.149 -9.615 1.00 10.77 N ATOM 817 CA HIS A 72 -21.528 3.327 -8.820 1.00 11.65 C ATOM 818 C HIS A 72 -21.348 2.007 -9.572 1.00 12.26 C ATOM 819 O HIS A 72 -20.462 1.233 -9.243 1.00 11.00 O ATOM 820 CB HIS A 72 -22.119 3.032 -7.434 1.00 10.76 C ATOM 821 CG HIS A 72 -23.495 2.441 -7.468 1.00 13.62 C ATOM 822 ND1 HIS A 72 -23.726 1.080 -7.424 1.00 17.79 N ATOM 823 CD2 HIS A 72 -24.711 3.024 -7.575 1.00 15.11 C ATOM 824 CE1 HIS A 72 -25.028 0.854 -7.503 1.00 17.37 C ATOM 825 NE2 HIS A 72 -25.645 2.016 -7.598 1.00 16.05 N ATOM 826 HA HIS A 72 -20.583 3.850 -8.675 1.00 0.00 H ATOM 827 HB2 HIS A 72 -21.458 2.332 -6.922 1.00 0.00 H ATOM 828 HB3 HIS A 72 -22.161 3.966 -6.874 1.00 0.00 H ATOM 829 HD2 HIS A 72 -24.912 4.094 -7.632 1.00 0.00 H ATOM 830 HE1 HIS A 72 -25.508 -0.125 -7.492 1.00 0.00 H ATOM 831 H HIS A 72 -23.445 4.140 -9.401 1.00 0.00 H ATOM 832 N MET A 73 -22.186 1.755 -10.575 1.00 12.15 N ATOM 833 CA MET A 73 -22.072 0.520 -11.343 1.00 11.20 C ATOM 834 C MET A 73 -21.159 0.777 -12.548 1.00 12.63 C ATOM 835 O MET A 73 -21.290 1.787 -13.244 1.00 13.86 O ATOM 836 CB MET A 73 -23.448 0.041 -11.834 1.00 11.28 C ATOM 837 CG MET A 73 -24.394 -0.337 -10.728 1.00 13.54 C ATOM 838 SD MET A 73 -23.745 -1.734 -9.803 1.00 19.21 S ATOM 839 CE MET A 73 -23.318 -2.855 -11.040 1.00 18.77 C ATOM 840 HA MET A 73 -21.654 -0.257 -10.703 1.00 0.00 H ATOM 841 HB2 MET A 73 -23.903 0.843 -12.416 1.00 0.00 H ATOM 842 HB3 MET A 73 -23.300 -0.830 -12.472 1.00 0.00 H ATOM 843 HG2 MET A 73 -25.359 -0.606 -11.156 1.00 0.00 H ATOM 844 HG3 MET A 73 -24.520 0.512 -10.056 1.00 0.00 H ATOM 845 HE1 MET A 73 -24.206 -3.111 -11.618 1.00 0.00 H ATOM 846 HE2 MET A 73 -22.573 -2.404 -11.696 1.00 0.00 H ATOM 847 HE3 MET A 73 -22.906 -3.756 -10.586 1.00 0.00 H ATOM 848 H MET A 73 -22.928 2.444 -10.813 1.00 0.00 H ATOM 849 N VAL A 74 -20.222 -0.133 -12.768 1.00 11.79 N ATOM 850 CA VAL A 74 -19.293 -0.026 -13.884 1.00 11.36 C ATOM 851 C VAL A 74 -19.483 -1.214 -14.820 1.00 11.41 C ATOM 852 O VAL A 74 -19.437 -2.378 -14.379 1.00 13.97 O ATOM 853 CB VAL A 74 -17.825 0.003 -13.384 1.00 11.01 C ATOM 854 CG1 VAL A 74 -16.865 0.037 -14.578 1.00 12.26 C ATOM 855 CG2 VAL A 74 -17.588 1.272 -12.508 1.00 13.44 C ATOM 856 HA VAL A 74 -19.498 0.904 -14.414 1.00 0.00 H ATOM 857 HB VAL A 74 -17.641 -0.893 -12.792 1.00 0.00 H ATOM 858 HG11 VAL A 74 -17.018 -0.851 -15.191 1.00 0.00 H ATOM 859 HG12 VAL A 74 -17.059 0.929 -15.173 1.00 0.00 H ATOM 860 HG13 VAL A 74 -15.837 0.057 -14.216 1.00 0.00 H ATOM 861 HG21 VAL A 74 -17.784 2.164 -13.103 1.00 0.00 H ATOM 862 HG22 VAL A 74 -18.260 1.251 -11.650 1.00 0.00 H ATOM 863 HG23 VAL A 74 -16.555 1.285 -12.161 1.00 0.00 H ATOM 864 H VAL A 74 -20.148 -0.947 -12.125 1.00 0.00 H ATOM 865 N TYR A 75 -19.719 -0.929 -16.097 1.00 11.67 N ATOM 866 CA TYR A 75 -19.894 -1.984 -17.107 1.00 13.42 C ATOM 867 C TYR A 75 -18.666 -2.038 -17.992 1.00 12.98 C ATOM 868 O TYR A 75 -18.349 -1.078 -18.702 1.00 13.51 O ATOM 869 CB TYR A 75 -21.155 -1.730 -17.937 1.00 13.09 C ATOM 870 CG TYR A 75 -22.406 -2.030 -17.132 1.00 14.87 C ATOM 871 CD1 TYR A 75 -22.987 -1.066 -16.300 1.00 14.50 C ATOM 872 CD2 TYR A 75 -22.950 -3.314 -17.129 1.00 16.18 C ATOM 873 CE1 TYR A 75 -24.084 -1.381 -15.482 1.00 14.79 C ATOM 874 CE2 TYR A 75 -24.029 -3.643 -16.312 1.00 17.40 C ATOM 875 CZ TYR A 75 -24.590 -2.681 -15.488 1.00 21.60 C ATOM 876 OH TYR A 75 -25.611 -3.054 -14.640 1.00 19.99 O ATOM 877 HA TYR A 75 -20.014 -2.946 -16.608 1.00 0.00 H ATOM 878 HB3 TYR A 75 -21.136 -2.370 -18.819 1.00 0.00 H ATOM 879 HB2 TYR A 75 -21.173 -0.685 -18.248 1.00 0.00 H ATOM 880 HD2 TYR A 75 -22.522 -4.076 -17.780 1.00 0.00 H ATOM 881 HE2 TYR A 75 -24.431 -4.656 -16.321 1.00 0.00 H ATOM 882 HE1 TYR A 75 -24.536 -0.617 -14.849 1.00 0.00 H ATOM 883 HD1 TYR A 75 -22.581 -0.054 -16.287 1.00 0.00 H ATOM 884 HH TYR A 75 -25.909 -2.267 -14.118 1.00 0.00 H ATOM 885 H TYR A 75 -19.782 0.067 -16.390 1.00 0.00 H ATOM 886 N CYS A 76 -17.989 -3.185 -17.960 1.00 13.88 N ATOM 887 CA CYS A 76 -16.739 -3.357 -18.693 1.00 14.09 C ATOM 888 C CYS A 76 -16.617 -4.610 -19.558 1.00 13.43 C ATOM 889 O CYS A 76 -15.501 -5.095 -19.801 1.00 15.84 O ATOM 890 CB CYS A 76 -15.584 -3.331 -17.697 1.00 18.62 C ATOM 891 SG CYS A 76 -15.866 -4.353 -16.204 1.00 21.93 S ATOM 892 HA CYS A 76 -16.715 -2.530 -19.403 1.00 0.00 H ATOM 893 HB2 CYS A 76 -15.426 -2.300 -17.382 1.00 0.00 H ATOM 894 HB3 CYS A 76 -14.689 -3.697 -18.200 1.00 0.00 H ATOM 895 HG CYS A 76 -16.054 -5.668 -16.578 1.00 0.00 H ATOM 896 H CYS A 76 -18.361 -3.978 -17.399 1.00 0.00 H ATOM 897 N GLY A 77 -17.744 -5.137 -20.011 1.00 13.76 N ATOM 898 CA GLY A 77 -17.703 -6.318 -20.860 1.00 13.23 C ATOM 899 C GLY A 77 -17.045 -5.944 -22.171 1.00 14.46 C ATOM 900 O GLY A 77 -17.460 -4.976 -22.817 1.00 16.26 O ATOM 901 HA3 GLY A 77 -18.717 -6.674 -21.045 1.00 0.00 H ATOM 902 HA2 GLY A 77 -17.128 -7.104 -20.370 1.00 0.00 H ATOM 903 H GLY A 77 -18.657 -4.707 -19.760 1.00 0.00 H ATOM 904 N GLY A 78 -16.019 -6.693 -22.565 1.00 15.44 N ATOM 905 CA GLY A 78 -15.312 -6.399 -23.807 1.00 14.92 C ATOM 906 C GLY A 78 -14.167 -5.401 -23.631 1.00 15.32 C ATOM 907 O GLY A 78 -13.432 -5.110 -24.583 1.00 14.51 O ATOM 908 HA3 GLY A 78 -16.024 -5.986 -24.521 1.00 0.00 H ATOM 909 HA2 GLY A 78 -14.903 -7.329 -24.201 1.00 0.00 H ATOM 910 H GLY A 78 -15.717 -7.498 -21.980 1.00 0.00 H ATOM 911 N ASP A 79 -14.025 -4.864 -22.420 1.00 14.00 N ATOM 912 CA ASP A 79 -12.950 -3.892 -22.134 1.00 16.13 C ATOM 913 C ASP A 79 -11.818 -4.661 -21.504 1.00 13.56 C ATOM 914 O ASP A 79 -12.062 -5.686 -20.871 1.00 14.64 O ATOM 915 CB ASP A 79 -13.434 -2.818 -21.142 1.00 15.47 C ATOM 916 CG ASP A 79 -12.488 -1.629 -21.054 1.00 13.83 C ATOM 917 OD1 ASP A 79 -12.721 -0.639 -21.773 1.00 17.53 O ATOM 918 OD2 ASP A 79 -11.503 -1.685 -20.288 1.00 14.06 O ATOM 919 HA ASP A 79 -12.642 -3.394 -23.053 1.00 0.00 H ATOM 920 HB2 ASP A 79 -14.413 -2.462 -21.464 1.00 0.00 H ATOM 921 HB3 ASP A 79 -13.520 -3.269 -20.154 1.00 0.00 H ATOM 922 H ASP A 79 -14.683 -5.134 -21.662 1.00 0.00 H ATOM 923 N LEU A 80 -10.574 -4.205 -21.678 1.00 13.71 N ATOM 924 CA LEU A 80 -9.466 -4.901 -21.026 1.00 14.21 C ATOM 925 C LEU A 80 -9.707 -4.917 -19.511 1.00 13.27 C ATOM 926 O LEU A 80 -9.309 -5.846 -18.811 1.00 13.77 O ATOM 927 CB LEU A 80 -8.132 -4.220 -21.339 1.00 15.30 C ATOM 928 CG LEU A 80 -6.877 -4.809 -20.674 1.00 15.17 C ATOM 929 CD1 LEU A 80 -6.752 -6.314 -20.976 1.00 16.55 C ATOM 930 CD2 LEU A 80 -5.660 -4.040 -21.175 1.00 17.31 C ATOM 931 HA LEU A 80 -9.418 -5.922 -21.404 1.00 0.00 H ATOM 932 HB2 LEU A 80 -7.985 -4.264 -22.418 1.00 0.00 H ATOM 933 HB3 LEU A 80 -8.212 -3.179 -21.027 1.00 0.00 H ATOM 934 HG LEU A 80 -6.949 -4.708 -19.591 1.00 0.00 H ATOM 935 HD21 LEU A 80 -5.590 -4.139 -22.258 1.00 0.00 H ATOM 936 HD22 LEU A 80 -5.763 -2.987 -20.911 1.00 0.00 H ATOM 937 HD23 LEU A 80 -4.760 -4.445 -20.713 1.00 0.00 H ATOM 938 HD11 LEU A 80 -7.630 -6.834 -20.593 1.00 0.00 H ATOM 939 HD12 LEU A 80 -6.681 -6.462 -22.054 1.00 0.00 H ATOM 940 HD13 LEU A 80 -5.856 -6.707 -20.494 1.00 0.00 H ATOM 941 H LEU A 80 -10.397 -3.367 -22.268 1.00 0.00 H ATOM 942 N LEU A 81 -10.373 -3.895 -18.991 1.00 12.81 N ATOM 943 CA LEU A 81 -10.647 -3.876 -17.561 1.00 11.93 C ATOM 944 C LEU A 81 -11.523 -5.071 -17.154 1.00 14.14 C ATOM 945 O LEU A 81 -11.365 -5.620 -16.069 1.00 14.55 O ATOM 946 CB LEU A 81 -11.316 -2.535 -17.170 1.00 12.06 C ATOM 947 CG LEU A 81 -11.723 -2.414 -15.692 1.00 13.71 C ATOM 948 CD1 LEU A 81 -10.499 -2.556 -14.804 1.00 16.38 C ATOM 949 CD2 LEU A 81 -12.386 -1.056 -15.426 1.00 12.27 C ATOM 950 HA LEU A 81 -9.703 -3.963 -17.022 1.00 0.00 H ATOM 951 HB2 LEU A 81 -10.616 -1.730 -17.394 1.00 0.00 H ATOM 952 HB3 LEU A 81 -12.213 -2.415 -17.778 1.00 0.00 H ATOM 953 HG LEU A 81 -12.434 -3.208 -15.466 1.00 0.00 H ATOM 954 HD21 LEU A 81 -11.685 -0.257 -15.667 1.00 0.00 H ATOM 955 HD22 LEU A 81 -13.276 -0.960 -16.048 1.00 0.00 H ATOM 956 HD23 LEU A 81 -12.667 -0.990 -14.375 1.00 0.00 H ATOM 957 HD11 LEU A 81 -10.041 -3.531 -14.972 1.00 0.00 H ATOM 958 HD12 LEU A 81 -9.783 -1.770 -15.045 1.00 0.00 H ATOM 959 HD13 LEU A 81 -10.798 -2.469 -13.759 1.00 0.00 H ATOM 960 H LEU A 81 -10.696 -3.115 -19.598 1.00 0.00 H ATOM 961 N GLY A 82 -12.460 -5.464 -18.024 1.00 13.24 N ATOM 962 CA GLY A 82 -13.335 -6.587 -17.729 1.00 14.86 C ATOM 963 C GLY A 82 -12.551 -7.886 -17.726 1.00 16.80 C ATOM 964 O GLY A 82 -12.842 -8.789 -16.946 1.00 17.88 O ATOM 965 HA3 GLY A 82 -14.117 -6.641 -18.487 1.00 0.00 H ATOM 966 HA2 GLY A 82 -13.790 -6.440 -16.749 1.00 0.00 H ATOM 967 H GLY A 82 -12.564 -4.958 -18.926 1.00 0.00 H ATOM 968 N GLU A 83 -11.563 -7.982 -18.601 1.00 15.24 N ATOM 969 CA GLU A 83 -10.715 -9.177 -18.647 1.00 18.07 C ATOM 970 C GLU A 83 -9.956 -9.281 -17.317 1.00 17.76 C ATOM 971 O GLU A 83 -9.832 -10.360 -16.735 1.00 19.01 O ATOM 972 CB GLU A 83 -9.696 -9.068 -19.784 1.00 19.98 C ATOM 973 CG GLU A 83 -10.296 -8.966 -21.164 1.00 23.16 C ATOM 974 CD GLU A 83 -11.235 -10.114 -21.459 1.00 27.39 C ATOM 975 OE1 GLU A 83 -11.014 -11.228 -20.920 1.00 29.90 O ATOM 976 OE2 GLU A 83 -12.185 -9.905 -22.236 1.00 30.35 O ATOM 977 HA GLU A 83 -11.339 -10.055 -18.813 1.00 0.00 H ATOM 978 HB2 GLU A 83 -9.089 -8.179 -19.611 1.00 0.00 H ATOM 979 HB3 GLU A 83 -9.060 -9.952 -19.755 1.00 0.00 H ATOM 980 HG2 GLU A 83 -10.849 -8.030 -21.239 1.00 0.00 H ATOM 981 HG3 GLU A 83 -9.491 -8.971 -21.899 1.00 0.00 H ATOM 982 H GLU A 83 -11.386 -7.200 -19.264 1.00 0.00 H ATOM 983 N LEU A 84 -9.448 -8.154 -16.829 1.00 16.09 N ATOM 984 CA LEU A 84 -8.707 -8.161 -15.578 1.00 15.62 C ATOM 985 C LEU A 84 -9.588 -8.532 -14.386 1.00 17.16 C ATOM 986 O LEU A 84 -9.163 -9.254 -13.481 1.00 17.43 O ATOM 987 CB LEU A 84 -8.053 -6.793 -15.340 1.00 15.33 C ATOM 988 CG LEU A 84 -6.882 -6.444 -16.265 1.00 14.59 C ATOM 989 CD1 LEU A 84 -6.345 -5.055 -15.912 1.00 16.24 C ATOM 990 CD2 LEU A 84 -5.765 -7.467 -16.069 1.00 19.87 C ATOM 991 HA LEU A 84 -7.935 -8.925 -15.666 1.00 0.00 H ATOM 992 HB2 LEU A 84 -8.820 -6.029 -15.467 1.00 0.00 H ATOM 993 HB3 LEU A 84 -7.687 -6.771 -14.314 1.00 0.00 H ATOM 994 HG LEU A 84 -7.224 -6.455 -17.300 1.00 0.00 H ATOM 995 HD21 LEU A 84 -5.432 -7.445 -15.031 1.00 0.00 H ATOM 996 HD22 LEU A 84 -6.139 -8.462 -16.311 1.00 0.00 H ATOM 997 HD23 LEU A 84 -4.930 -7.222 -16.726 1.00 0.00 H ATOM 998 HD11 LEU A 84 -7.138 -4.318 -16.037 1.00 0.00 H ATOM 999 HD12 LEU A 84 -6.003 -5.051 -14.877 1.00 0.00 H ATOM 1000 HD13 LEU A 84 -5.513 -4.810 -16.572 1.00 0.00 H ATOM 1001 H LEU A 84 -9.581 -7.261 -17.345 1.00 0.00 H ATOM 1002 N LEU A 85 -10.819 -8.036 -14.385 1.00 16.87 N ATOM 1003 CA LEU A 85 -11.746 -8.310 -13.304 1.00 18.92 C ATOM 1004 C LEU A 85 -12.368 -9.691 -13.410 1.00 21.26 C ATOM 1005 O LEU A 85 -12.860 -10.219 -12.415 1.00 25.00 O ATOM 1006 CB LEU A 85 -12.877 -7.282 -13.310 1.00 19.86 C ATOM 1007 CG LEU A 85 -12.508 -5.863 -12.906 1.00 17.20 C ATOM 1008 CD1 LEU A 85 -13.579 -4.915 -13.382 1.00 18.56 C ATOM 1009 CD2 LEU A 85 -12.337 -5.794 -11.385 1.00 19.63 C ATOM 1010 HA LEU A 85 -11.170 -8.256 -12.380 1.00 0.00 H ATOM 1011 HB2 LEU A 85 -13.284 -7.243 -14.320 1.00 0.00 H ATOM 1012 HB3 LEU A 85 -13.647 -7.633 -12.623 1.00 0.00 H ATOM 1013 HG LEU A 85 -11.564 -5.572 -13.367 1.00 0.00 H ATOM 1014 HD21 LEU A 85 -13.272 -6.079 -10.902 1.00 0.00 H ATOM 1015 HD22 LEU A 85 -11.545 -6.478 -11.078 1.00 0.00 H ATOM 1016 HD23 LEU A 85 -12.073 -4.777 -11.096 1.00 0.00 H ATOM 1017 HD11 LEU A 85 -13.661 -4.977 -14.467 1.00 0.00 H ATOM 1018 HD12 LEU A 85 -14.532 -5.188 -12.929 1.00 0.00 H ATOM 1019 HD13 LEU A 85 -13.316 -3.897 -13.093 1.00 0.00 H ATOM 1020 H LEU A 85 -11.126 -7.437 -15.178 1.00 0.00 H ATOM 1021 N GLY A 86 -12.346 -10.270 -14.607 1.00 22.69 N ATOM 1022 CA GLY A 86 -12.987 -11.561 -14.809 1.00 23.10 C ATOM 1023 C GLY A 86 -14.486 -11.344 -14.639 1.00 22.98 C ATOM 1024 O GLY A 86 -15.212 -12.243 -14.227 1.00 23.93 O ATOM 1025 HA3 GLY A 86 -12.626 -12.278 -14.072 1.00 0.00 H ATOM 1026 HA2 GLY A 86 -12.773 -11.933 -15.811 1.00 0.00 H ATOM 1027 H GLY A 86 -11.869 -9.799 -15.402 1.00 0.00 H ATOM 1028 N ARG A 87 -14.953 -10.139 -14.961 1.00 21.78 N ATOM 1029 CA ARG A 87 -16.375 -9.799 -14.817 1.00 23.27 C ATOM 1030 C ARG A 87 -16.868 -8.827 -15.874 1.00 20.25 C ATOM 1031 O ARG A 87 -16.099 -8.069 -16.446 1.00 18.81 O ATOM 1032 CB ARG A 87 -16.636 -9.184 -13.438 1.00 26.27 C ATOM 1033 CG ARG A 87 -16.564 -10.177 -12.305 1.00 32.06 C ATOM 1034 CD ARG A 87 -16.574 -9.478 -10.977 1.00 30.24 C ATOM 1035 NE ARG A 87 -17.799 -8.721 -10.778 1.00 33.06 N ATOM 1036 CZ ARG A 87 -18.589 -8.872 -9.718 1.00 34.79 C ATOM 1037 NH1 ARG A 87 -18.265 -9.759 -8.775 1.00 29.03 N ATOM 1038 NH2 ARG A 87 -19.692 -8.136 -9.599 1.00 29.30 N ATOM 1039 HA ARG A 87 -16.921 -10.734 -14.939 1.00 0.00 H ATOM 1040 HB2 ARG A 87 -15.893 -8.407 -13.262 1.00 0.00 H ATOM 1041 HB3 ARG A 87 -17.631 -8.739 -13.443 1.00 0.00 H ATOM 1042 HG2 ARG A 87 -17.422 -10.847 -12.362 1.00 0.00 H ATOM 1043 HG3 ARG A 87 -15.645 -10.757 -12.396 1.00 0.00 H ATOM 1044 HD2 ARG A 87 -15.725 -8.796 -10.930 1.00 0.00 H ATOM 1045 HD3 ARG A 87 -16.485 -10.222 -10.185 1.00 0.00 H ATOM 1046 HE ARG A 87 -18.072 -8.026 -11.501 1.00 0.00 H ATOM 1047 HH12 ARG A 87 -18.878 -9.882 -7.944 1.00 0.00 H ATOM 1048 HH11 ARG A 87 -17.399 -10.327 -8.871 1.00 0.00 H ATOM 1049 HH22 ARG A 87 -20.309 -8.254 -8.770 1.00 0.00 H ATOM 1050 HH21 ARG A 87 -19.936 -7.443 -10.335 1.00 0.00 H ATOM 1051 H ARG A 87 -14.294 -9.420 -15.324 1.00 0.00 H ATOM 1052 N GLN A 88 -18.170 -8.850 -16.123 1.00 19.75 N ATOM 1053 CA GLN A 88 -18.780 -7.964 -17.101 1.00 19.70 C ATOM 1054 C GLN A 88 -19.110 -6.618 -16.422 1.00 20.00 C ATOM 1055 O GLN A 88 -19.247 -5.590 -17.078 1.00 19.44 O ATOM 1056 CB GLN A 88 -20.046 -8.631 -17.644 1.00 21.87 C ATOM 1057 CG GLN A 88 -21.015 -7.736 -18.373 1.00 26.57 C ATOM 1058 CD GLN A 88 -22.205 -8.526 -18.891 1.00 29.45 C ATOM 1059 OE1 GLN A 88 -22.120 -9.191 -19.928 1.00 30.23 O ATOM 1060 NE2 GLN A 88 -23.314 -8.484 -18.152 1.00 30.29 N ATOM 1061 HA GLN A 88 -18.099 -7.774 -17.931 1.00 0.00 H ATOM 1062 HB2 GLN A 88 -19.737 -9.417 -18.333 1.00 0.00 H ATOM 1063 HB3 GLN A 88 -20.575 -9.076 -16.801 1.00 0.00 H ATOM 1064 HG2 GLN A 88 -21.370 -6.964 -17.690 1.00 0.00 H ATOM 1065 HG3 GLN A 88 -20.504 -7.268 -19.215 1.00 0.00 H ATOM 1066 HE22 GLN A 88 -23.340 -7.910 -17.285 1.00 0.00 H ATOM 1067 HE21 GLN A 88 -24.153 -9.026 -18.442 1.00 0.00 H ATOM 1068 H GLN A 88 -18.772 -9.521 -15.604 1.00 0.00 H ATOM 1069 N SER A 89 -19.234 -6.636 -15.101 1.00 17.97 N ATOM 1070 CA SER A 89 -19.529 -5.409 -14.375 1.00 17.67 C ATOM 1071 C SER A 89 -19.173 -5.573 -12.908 1.00 17.74 C ATOM 1072 O SER A 89 -18.945 -6.685 -12.440 1.00 17.96 O ATOM 1073 CB SER A 89 -21.016 -5.067 -14.495 1.00 18.80 C ATOM 1074 OG SER A 89 -21.816 -6.050 -13.840 1.00 19.64 O ATOM 1075 HA SER A 89 -18.936 -4.602 -14.806 1.00 0.00 H ATOM 1076 HB2 SER A 89 -21.290 -5.027 -15.549 1.00 0.00 H ATOM 1077 HB3 SER A 89 -21.198 -4.095 -14.037 1.00 0.00 H ATOM 1078 HG SER A 89 -22.772 -5.809 -13.930 1.00 0.00 H ATOM 1079 H SER A 89 -19.120 -7.530 -14.582 1.00 0.00 H ATOM 1080 N PHE A 90 -19.089 -4.455 -12.190 1.00 13.99 N ATOM 1081 CA PHE A 90 -18.816 -4.496 -10.758 1.00 13.11 C ATOM 1082 C PHE A 90 -19.408 -3.240 -10.154 1.00 11.47 C ATOM 1083 O PHE A 90 -19.774 -2.322 -10.876 1.00 13.80 O ATOM 1084 CB PHE A 90 -17.306 -4.633 -10.453 1.00 15.75 C ATOM 1085 CG PHE A 90 -16.498 -3.369 -10.657 1.00 12.60 C ATOM 1086 CD1 PHE A 90 -16.293 -2.482 -9.609 1.00 17.32 C ATOM 1087 CD2 PHE A 90 -15.924 -3.089 -11.882 1.00 17.02 C ATOM 1088 CE1 PHE A 90 -15.513 -1.328 -9.790 1.00 17.85 C ATOM 1089 CE2 PHE A 90 -15.147 -1.942 -12.070 1.00 16.74 C ATOM 1090 CZ PHE A 90 -14.944 -1.070 -11.030 1.00 16.24 C ATOM 1091 HA PHE A 90 -19.274 -5.380 -10.314 1.00 0.00 H ATOM 1092 HB2 PHE A 90 -17.197 -4.941 -9.413 1.00 0.00 H ATOM 1093 HB3 PHE A 90 -16.897 -5.405 -11.104 1.00 0.00 H ATOM 1094 HD2 PHE A 90 -16.079 -3.774 -12.716 1.00 0.00 H ATOM 1095 HE2 PHE A 90 -14.702 -1.740 -13.044 1.00 0.00 H ATOM 1096 HZ PHE A 90 -14.337 -0.177 -11.177 1.00 0.00 H ATOM 1097 HE1 PHE A 90 -15.355 -0.638 -8.961 1.00 0.00 H ATOM 1098 HD1 PHE A 90 -16.742 -2.683 -8.636 1.00 0.00 H ATOM 1099 H PHE A 90 -19.220 -3.536 -12.659 1.00 0.00 H ATOM 1100 N SER A 91 -19.563 -3.225 -8.840 1.00 13.04 N ATOM 1101 CA SER A 91 -20.128 -2.052 -8.162 1.00 13.84 C ATOM 1102 C SER A 91 -19.089 -1.401 -7.274 1.00 14.26 C ATOM 1103 O SER A 91 -18.425 -2.098 -6.495 1.00 13.08 O ATOM 1104 CB SER A 91 -21.317 -2.466 -7.290 1.00 13.69 C ATOM 1105 OG SER A 91 -21.665 -1.434 -6.383 1.00 14.51 O ATOM 1106 HA SER A 91 -20.453 -1.347 -8.927 1.00 0.00 H ATOM 1107 HB2 SER A 91 -21.052 -3.361 -6.727 1.00 0.00 H ATOM 1108 HB3 SER A 91 -22.172 -2.681 -7.931 1.00 0.00 H ATOM 1109 HG SER A 91 -22.434 -1.726 -5.832 1.00 0.00 H ATOM 1110 H SER A 91 -19.281 -4.055 -8.280 1.00 0.00 H ATOM 1111 N VAL A 92 -18.958 -0.068 -7.365 1.00 11.33 N ATOM 1112 CA VAL A 92 -18.005 0.630 -6.528 1.00 12.40 C ATOM 1113 C VAL A 92 -18.404 0.515 -5.040 1.00 13.94 C ATOM 1114 O VAL A 92 -17.553 0.661 -4.154 1.00 14.63 O ATOM 1115 CB VAL A 92 -17.892 2.121 -6.963 1.00 11.37 C ATOM 1116 CG1 VAL A 92 -16.953 2.863 -6.050 1.00 13.92 C ATOM 1117 CG2 VAL A 92 -17.392 2.189 -8.401 1.00 12.37 C ATOM 1118 HA VAL A 92 -17.027 0.165 -6.651 1.00 0.00 H ATOM 1119 HB VAL A 92 -18.874 2.590 -6.899 1.00 0.00 H ATOM 1120 HG11 VAL A 92 -17.330 2.818 -5.028 1.00 0.00 H ATOM 1121 HG12 VAL A 92 -15.966 2.403 -6.095 1.00 0.00 H ATOM 1122 HG13 VAL A 92 -16.885 3.903 -6.368 1.00 0.00 H ATOM 1123 HG21 VAL A 92 -16.413 1.714 -8.467 1.00 0.00 H ATOM 1124 HG22 VAL A 92 -18.094 1.670 -9.053 1.00 0.00 H ATOM 1125 HG23 VAL A 92 -17.312 3.232 -8.708 1.00 0.00 H ATOM 1126 H VAL A 92 -19.543 0.465 -8.039 1.00 0.00 H ATOM 1127 N LYS A 93 -19.694 0.275 -4.770 1.00 13.51 N ATOM 1128 CA LYS A 93 -20.171 0.109 -3.387 1.00 13.84 C ATOM 1129 C LYS A 93 -19.726 -1.198 -2.714 1.00 15.35 C ATOM 1130 O LYS A 93 -19.690 -1.282 -1.483 1.00 15.98 O ATOM 1131 CB LYS A 93 -21.697 0.187 -3.324 1.00 17.00 C ATOM 1132 CG LYS A 93 -22.241 1.562 -3.584 1.00 16.41 C ATOM 1133 CD LYS A 93 -23.769 1.617 -3.463 1.00 18.56 C ATOM 1134 CE LYS A 93 -24.276 2.947 -4.023 1.00 23.10 C ATOM 1135 NZ LYS A 93 -25.719 3.217 -3.677 1.00 28.46 N ATOM 1136 HA LYS A 93 -19.712 0.930 -2.837 1.00 0.00 H ATOM 1137 HB2 LYS A 93 -22.108 -0.493 -4.070 1.00 0.00 H ATOM 1138 HB3 LYS A 93 -22.018 -0.128 -2.331 1.00 0.00 H ATOM 1139 HG2 LYS A 93 -21.807 2.253 -2.862 1.00 0.00 H ATOM 1140 HG3 LYS A 93 -21.958 1.866 -4.592 1.00 0.00 H ATOM 1141 HD2 LYS A 93 -24.208 0.794 -4.026 1.00 0.00 H ATOM 1142 HD3 LYS A 93 -24.054 1.531 -2.415 1.00 0.00 H ATOM 1143 HE2 LYS A 93 -24.176 2.929 -5.108 1.00 0.00 H ATOM 1144 HE3 LYS A 93 -23.664 3.752 -3.616 1.00 0.00 H ATOM 1145 HZ1 LYS A 93 -26.315 2.460 -4.068 1.00 0.00 H ATOM 1146 HZ2 LYS A 93 -25.827 3.246 -2.643 1.00 0.00 H ATOM 1147 HZ3 LYS A 93 -26.006 4.131 -4.083 1.00 0.00 H ATOM 1148 H LYS A 93 -20.373 0.204 -5.554 1.00 0.00 H ATOM 1149 N ASP A 94 -19.419 -2.206 -3.520 1.00 14.57 N ATOM 1150 CA ASP A 94 -18.951 -3.511 -3.033 1.00 17.03 C ATOM 1151 C ASP A 94 -17.647 -3.738 -3.817 1.00 14.66 C ATOM 1152 O ASP A 94 -17.594 -4.532 -4.748 1.00 15.76 O ATOM 1153 CB ASP A 94 -19.989 -4.585 -3.368 1.00 21.81 C ATOM 1154 CG ASP A 94 -21.350 -4.324 -2.705 1.00 27.21 C ATOM 1155 OD1 ASP A 94 -21.375 -3.958 -1.507 1.00 29.92 O ATOM 1156 OD2 ASP A 94 -22.401 -4.502 -3.376 1.00 27.28 O ATOM 1157 HA ASP A 94 -18.799 -3.551 -1.954 1.00 0.00 H ATOM 1158 HB2 ASP A 94 -20.127 -4.611 -4.449 1.00 0.00 H ATOM 1159 HB3 ASP A 94 -19.614 -5.550 -3.027 1.00 0.00 H ATOM 1160 H ASP A 94 -19.514 -2.066 -4.546 1.00 0.00 H ATOM 1161 N PRO A 95 -16.572 -3.028 -3.433 1.00 14.22 N ATOM 1162 CA PRO A 95 -15.270 -3.106 -4.098 1.00 15.24 C ATOM 1163 C PRO A 95 -14.433 -4.377 -4.030 1.00 13.93 C ATOM 1164 O PRO A 95 -13.380 -4.434 -4.652 1.00 13.50 O ATOM 1165 CB PRO A 95 -14.517 -1.918 -3.502 1.00 15.16 C ATOM 1166 CG PRO A 95 -15.006 -1.933 -2.061 1.00 13.45 C ATOM 1167 CD PRO A 95 -16.514 -2.125 -2.264 1.00 15.28 C ATOM 1168 HA PRO A 95 -15.455 -3.102 -5.172 1.00 0.00 H ATOM 1169 HD3 PRO A 95 -16.973 -2.584 -1.389 1.00 0.00 H ATOM 1170 HD2 PRO A 95 -17.007 -1.176 -2.475 1.00 0.00 H ATOM 1171 HG3 PRO A 95 -14.787 -0.993 -1.554 1.00 0.00 H ATOM 1172 HG2 PRO A 95 -14.569 -2.758 -1.499 1.00 0.00 H ATOM 1173 HB2 PRO A 95 -13.438 -2.063 -3.557 1.00 0.00 H ATOM 1174 HB3 PRO A 95 -14.783 -0.987 -4.002 1.00 0.00 H ATOM 1175 N SER A 96 -14.865 -5.397 -3.301 1.00 13.67 N ATOM 1176 CA SER A 96 -14.004 -6.585 -3.218 1.00 15.05 C ATOM 1177 C SER A 96 -13.462 -7.146 -4.536 1.00 15.41 C ATOM 1178 O SER A 96 -12.274 -7.474 -4.622 1.00 14.18 O ATOM 1179 CB SER A 96 -14.697 -7.686 -2.416 1.00 17.19 C ATOM 1180 OG SER A 96 -14.628 -7.345 -1.037 1.00 22.48 O ATOM 1181 HA SER A 96 -13.112 -6.223 -2.707 1.00 0.00 H ATOM 1182 HB2 SER A 96 -14.195 -8.638 -2.586 1.00 0.00 H ATOM 1183 HB3 SER A 96 -15.739 -7.767 -2.724 1.00 0.00 H ATOM 1184 HG SER A 96 -15.073 -8.049 -0.502 1.00 0.00 H ATOM 1185 H SER A 96 -15.779 -5.358 -2.806 1.00 0.00 H ATOM 1186 N PRO A 97 -14.302 -7.279 -5.575 1.00 16.43 N ATOM 1187 CA PRO A 97 -13.768 -7.815 -6.840 1.00 16.31 C ATOM 1188 C PRO A 97 -12.694 -6.903 -7.457 1.00 14.33 C ATOM 1189 O PRO A 97 -11.745 -7.367 -8.089 1.00 13.66 O ATOM 1190 CB PRO A 97 -15.014 -7.969 -7.718 1.00 19.26 C ATOM 1191 CG PRO A 97 -16.000 -7.035 -7.120 1.00 23.13 C ATOM 1192 CD PRO A 97 -15.762 -7.103 -5.644 1.00 17.30 C ATOM 1193 HA PRO A 97 -13.241 -8.760 -6.712 1.00 0.00 H ATOM 1194 HD3 PRO A 97 -16.074 -6.183 -5.150 1.00 0.00 H ATOM 1195 HD2 PRO A 97 -16.284 -7.949 -5.197 1.00 0.00 H ATOM 1196 HG3 PRO A 97 -17.017 -7.348 -7.358 1.00 0.00 H ATOM 1197 HG2 PRO A 97 -15.838 -6.022 -7.487 1.00 0.00 H ATOM 1198 HB2 PRO A 97 -14.796 -7.693 -8.750 1.00 0.00 H ATOM 1199 HB3 PRO A 97 -15.384 -8.994 -7.688 1.00 0.00 H ATOM 1200 N LEU A 98 -12.841 -5.599 -7.259 1.00 12.01 N ATOM 1201 CA LEU A 98 -11.839 -4.662 -7.760 1.00 13.83 C ATOM 1202 C LEU A 98 -10.532 -4.822 -6.962 1.00 14.08 C ATOM 1203 O LEU A 98 -9.428 -4.822 -7.519 1.00 14.14 O ATOM 1204 CB LEU A 98 -12.366 -3.230 -7.612 1.00 13.33 C ATOM 1205 CG LEU A 98 -11.401 -2.089 -7.942 1.00 18.65 C ATOM 1206 CD1 LEU A 98 -11.127 -2.029 -9.450 1.00 18.96 C ATOM 1207 CD2 LEU A 98 -12.052 -0.774 -7.493 1.00 17.22 C ATOM 1208 HA LEU A 98 -11.640 -4.869 -8.812 1.00 0.00 H ATOM 1209 HB2 LEU A 98 -13.230 -3.129 -8.269 1.00 0.00 H ATOM 1210 HB3 LEU A 98 -12.682 -3.103 -6.577 1.00 0.00 H ATOM 1211 HG LEU A 98 -10.453 -2.252 -7.428 1.00 0.00 H ATOM 1212 HD21 LEU A 98 -12.994 -0.637 -8.024 1.00 0.00 H ATOM 1213 HD22 LEU A 98 -12.240 -0.811 -6.420 1.00 0.00 H ATOM 1214 HD23 LEU A 98 -11.383 0.057 -7.718 1.00 0.00 H ATOM 1215 HD11 LEU A 98 -10.684 -2.970 -9.775 1.00 0.00 H ATOM 1216 HD12 LEU A 98 -12.064 -1.864 -9.982 1.00 0.00 H ATOM 1217 HD13 LEU A 98 -10.439 -1.211 -9.661 1.00 0.00 H ATOM 1218 H LEU A 98 -13.672 -5.243 -6.745 1.00 0.00 H ATOM 1219 N TYR A 99 -10.647 -4.968 -5.647 1.00 12.52 N ATOM 1220 CA TYR A 99 -9.448 -5.102 -4.833 1.00 13.06 C ATOM 1221 C TYR A 99 -8.774 -6.443 -5.110 1.00 15.16 C ATOM 1222 O TYR A 99 -7.548 -6.525 -5.067 1.00 16.97 O ATOM 1223 CB TYR A 99 -9.788 -4.945 -3.352 1.00 12.04 C ATOM 1224 CG TYR A 99 -10.354 -3.578 -2.981 1.00 12.19 C ATOM 1225 CD1 TYR A 99 -10.983 -3.376 -1.763 1.00 12.75 C ATOM 1226 CD2 TYR A 99 -10.189 -2.480 -3.821 1.00 12.03 C ATOM 1227 CE1 TYR A 99 -11.430 -2.100 -1.379 1.00 12.25 C ATOM 1228 CE2 TYR A 99 -10.633 -1.216 -3.450 1.00 14.21 C ATOM 1229 CZ TYR A 99 -11.241 -1.034 -2.228 1.00 11.89 C ATOM 1230 OH TYR A 99 -11.595 0.222 -1.835 1.00 14.16 O ATOM 1231 HA TYR A 99 -8.748 -4.310 -5.098 1.00 0.00 H ATOM 1232 HB3 TYR A 99 -8.879 -5.107 -2.773 1.00 0.00 H ATOM 1233 HB2 TYR A 99 -10.525 -5.703 -3.088 1.00 0.00 H ATOM 1234 HD2 TYR A 99 -9.703 -2.614 -4.787 1.00 0.00 H ATOM 1235 HE2 TYR A 99 -10.500 -0.371 -4.125 1.00 0.00 H ATOM 1236 HE1 TYR A 99 -11.922 -1.956 -0.417 1.00 0.00 H ATOM 1237 HD1 TYR A 99 -11.134 -4.221 -1.091 1.00 0.00 H ATOM 1238 HH TYR A 99 -12.017 0.180 -0.940 1.00 0.00 H ATOM 1239 H TYR A 99 -11.587 -4.986 -5.202 1.00 0.00 H ATOM 1240 N ASP A 100 -9.562 -7.479 -5.413 1.00 14.43 N ATOM 1241 CA ASP A 100 -8.969 -8.795 -5.736 1.00 18.11 C ATOM 1242 C ASP A 100 -8.172 -8.667 -7.045 1.00 15.95 C ATOM 1243 O ASP A 100 -7.088 -9.236 -7.197 1.00 14.42 O ATOM 1244 CB ASP A 100 -10.045 -9.865 -5.904 1.00 22.05 C ATOM 1245 CG ASP A 100 -10.743 -10.193 -4.602 1.00 29.07 C ATOM 1246 OD1 ASP A 100 -10.065 -10.190 -3.551 1.00 30.85 O ATOM 1247 OD2 ASP A 100 -11.967 -10.464 -4.626 1.00 35.08 O ATOM 1248 HA ASP A 100 -8.319 -9.096 -4.914 1.00 0.00 H ATOM 1249 HB2 ASP A 100 -10.786 -9.507 -6.618 1.00 0.00 H ATOM 1250 HB3 ASP A 100 -9.580 -10.772 -6.290 1.00 0.00 H ATOM 1251 H ASP A 100 -10.595 -7.360 -5.422 1.00 0.00 H ATOM 1252 N MET A 101 -8.710 -7.900 -7.979 1.00 14.78 N ATOM 1253 CA MET A 101 -8.034 -7.677 -9.249 1.00 15.30 C ATOM 1254 C MET A 101 -6.722 -6.940 -8.982 1.00 14.84 C ATOM 1255 O MET A 101 -5.677 -7.306 -9.530 1.00 12.97 O ATOM 1256 CB MET A 101 -8.935 -6.865 -10.197 1.00 15.64 C ATOM 1257 CG MET A 101 -8.316 -6.532 -11.580 1.00 13.29 C ATOM 1258 SD MET A 101 -7.101 -5.169 -11.603 1.00 16.15 S ATOM 1259 CE MET A 101 -8.198 -3.764 -11.608 1.00 16.75 C ATOM 1260 HA MET A 101 -7.821 -8.632 -9.730 1.00 0.00 H ATOM 1261 HB2 MET A 101 -9.848 -7.436 -10.366 1.00 0.00 H ATOM 1262 HB3 MET A 101 -9.182 -5.925 -9.704 1.00 0.00 H ATOM 1263 HG2 MET A 101 -9.129 -6.266 -12.255 1.00 0.00 H ATOM 1264 HG3 MET A 101 -7.819 -7.429 -11.948 1.00 0.00 H ATOM 1265 HE1 MET A 101 -8.833 -3.804 -12.493 1.00 0.00 H ATOM 1266 HE2 MET A 101 -8.819 -3.786 -10.712 1.00 0.00 H ATOM 1267 HE3 MET A 101 -7.610 -2.846 -11.622 1.00 0.00 H ATOM 1268 H MET A 101 -9.631 -7.449 -7.803 1.00 0.00 H ATOM 1269 N LEU A 102 -6.752 -5.908 -8.137 1.00 13.37 N ATOM 1270 CA LEU A 102 -5.517 -5.179 -7.847 1.00 13.03 C ATOM 1271 C LEU A 102 -4.475 -6.055 -7.151 1.00 14.11 C ATOM 1272 O LEU A 102 -3.295 -5.947 -7.429 1.00 16.38 O ATOM 1273 CB LEU A 102 -5.812 -3.954 -6.978 1.00 14.89 C ATOM 1274 CG LEU A 102 -6.680 -2.917 -7.680 1.00 14.01 C ATOM 1275 CD1 LEU A 102 -7.053 -1.833 -6.686 1.00 17.47 C ATOM 1276 CD2 LEU A 102 -5.925 -2.317 -8.862 1.00 16.09 C ATOM 1277 HA LEU A 102 -5.104 -4.864 -8.805 1.00 0.00 H ATOM 1278 HB2 LEU A 102 -6.327 -4.284 -6.076 1.00 0.00 H ATOM 1279 HB3 LEU A 102 -4.866 -3.487 -6.704 1.00 0.00 H ATOM 1280 HG LEU A 102 -7.587 -3.390 -8.058 1.00 0.00 H ATOM 1281 HD21 LEU A 102 -5.013 -1.839 -8.504 1.00 0.00 H ATOM 1282 HD22 LEU A 102 -5.669 -3.108 -9.567 1.00 0.00 H ATOM 1283 HD23 LEU A 102 -6.555 -1.577 -9.356 1.00 0.00 H ATOM 1284 HD11 LEU A 102 -7.605 -2.276 -5.857 1.00 0.00 H ATOM 1285 HD12 LEU A 102 -6.146 -1.360 -6.309 1.00 0.00 H ATOM 1286 HD13 LEU A 102 -7.674 -1.087 -7.181 1.00 0.00 H ATOM 1287 H LEU A 102 -7.646 -5.624 -7.688 1.00 0.00 H ATOM 1288 N ARG A 103 -4.915 -6.931 -6.253 1.00 14.82 N ATOM 1289 CA ARG A 103 -3.992 -7.811 -5.535 1.00 16.60 C ATOM 1290 C ARG A 103 -3.267 -8.729 -6.513 1.00 17.42 C ATOM 1291 O ARG A 103 -2.074 -9.024 -6.356 1.00 16.18 O ATOM 1292 CB ARG A 103 -4.774 -8.624 -4.500 1.00 19.44 C ATOM 1293 CG ARG A 103 -3.952 -9.621 -3.714 1.00 28.23 C ATOM 1294 CD ARG A 103 -4.095 -10.987 -4.329 1.00 36.31 C ATOM 1295 NE ARG A 103 -5.504 -11.343 -4.522 1.00 41.38 N ATOM 1296 CZ ARG A 103 -5.910 -12.439 -5.155 1.00 42.27 C ATOM 1297 NH1 ARG A 103 -5.010 -13.282 -5.650 1.00 45.00 N ATOM 1298 NH2 ARG A 103 -7.205 -12.688 -5.301 1.00 42.28 N ATOM 1299 HA ARG A 103 -3.241 -7.211 -5.021 1.00 0.00 H ATOM 1300 HB2 ARG A 103 -5.226 -7.927 -3.794 1.00 0.00 H ATOM 1301 HB3 ARG A 103 -5.559 -9.170 -5.022 1.00 0.00 H ATOM 1302 HG2 ARG A 103 -2.904 -9.322 -3.732 1.00 0.00 H ATOM 1303 HG3 ARG A 103 -4.303 -9.648 -2.682 1.00 0.00 H ATOM 1304 HD2 ARG A 103 -3.630 -11.722 -3.672 1.00 0.00 H ATOM 1305 HD3 ARG A 103 -3.591 -10.995 -5.296 1.00 0.00 H ATOM 1306 HE ARG A 103 -6.228 -10.701 -4.141 1.00 0.00 H ATOM 1307 HH12 ARG A 103 -5.320 -14.142 -6.146 1.00 0.00 H ATOM 1308 HH11 ARG A 103 -3.995 -13.082 -5.541 1.00 0.00 H ATOM 1309 HH22 ARG A 103 -7.517 -13.547 -5.797 1.00 0.00 H ATOM 1310 HH21 ARG A 103 -7.908 -12.024 -4.919 1.00 0.00 H ATOM 1311 H ARG A 103 -5.935 -6.992 -6.057 1.00 0.00 H ATOM 1312 N LYS A 104 -3.982 -9.160 -7.543 1.00 16.70 N ATOM 1313 CA LYS A 104 -3.385 -10.033 -8.544 1.00 19.85 C ATOM 1314 C LYS A 104 -2.594 -9.253 -9.582 1.00 18.18 C ATOM 1315 O LYS A 104 -1.770 -9.824 -10.278 1.00 16.59 O ATOM 1316 CB LYS A 104 -4.470 -10.848 -9.249 1.00 20.05 C ATOM 1317 CG LYS A 104 -5.155 -11.856 -8.335 1.00 23.78 C ATOM 1318 CD LYS A 104 -6.208 -12.696 -9.069 1.00 28.98 C ATOM 1319 CE LYS A 104 -7.453 -11.887 -9.395 1.00 31.54 C ATOM 1320 NZ LYS A 104 -8.432 -12.699 -10.191 1.00 36.97 N ATOM 1321 HA LYS A 104 -2.698 -10.698 -8.021 1.00 0.00 H ATOM 1322 HB2 LYS A 104 -5.224 -10.161 -9.634 1.00 0.00 H ATOM 1323 HB3 LYS A 104 -4.014 -11.387 -10.079 1.00 0.00 H ATOM 1324 HG2 LYS A 104 -4.399 -12.525 -7.923 1.00 0.00 H ATOM 1325 HG3 LYS A 104 -5.642 -11.317 -7.523 1.00 0.00 H ATOM 1326 HD2 LYS A 104 -5.777 -13.069 -9.998 1.00 0.00 H ATOM 1327 HD3 LYS A 104 -6.490 -13.538 -8.437 1.00 0.00 H ATOM 1328 HE2 LYS A 104 -7.166 -11.008 -9.973 1.00 0.00 H ATOM 1329 HE3 LYS A 104 -7.926 -11.570 -8.465 1.00 0.00 H ATOM 1330 HZ1 LYS A 104 -7.988 -13.000 -11.082 1.00 0.00 H ATOM 1331 HZ2 LYS A 104 -8.713 -13.536 -9.642 1.00 0.00 H ATOM 1332 HZ3 LYS A 104 -9.272 -12.121 -10.399 1.00 0.00 H ATOM 1333 H LYS A 104 -4.977 -8.872 -7.637 1.00 0.00 H ATOM 1334 N ASN A 105 -2.818 -7.944 -9.675 1.00 13.50 N ATOM 1335 CA ASN A 105 -2.132 -7.173 -10.697 1.00 13.77 C ATOM 1336 C ASN A 105 -1.169 -6.094 -10.211 1.00 14.70 C ATOM 1337 O ASN A 105 -0.644 -5.301 -10.993 1.00 15.37 O ATOM 1338 CB ASN A 105 -3.175 -6.596 -11.658 1.00 16.01 C ATOM 1339 CG ASN A 105 -3.726 -7.654 -12.606 1.00 18.37 C ATOM 1340 OD1 ASN A 105 -3.068 -8.023 -13.579 1.00 18.03 O ATOM 1341 ND2 ASN A 105 -4.921 -8.160 -12.314 1.00 15.69 N ATOM 1342 HA ASN A 105 -1.468 -7.877 -11.199 1.00 0.00 H ATOM 1343 HB2 ASN A 105 -3.998 -6.181 -11.076 1.00 0.00 H ATOM 1344 HB3 ASN A 105 -2.712 -5.804 -12.246 1.00 0.00 H ATOM 1345 HD22 ASN A 105 -5.441 -7.818 -11.481 1.00 0.00 H ATOM 1346 HD21 ASN A 105 -5.335 -8.898 -12.919 1.00 0.00 H ATOM 1347 H ASN A 105 -3.479 -7.477 -9.021 1.00 0.00 H ATOM 1348 N LEU A 106 -0.928 -6.070 -8.914 1.00 13.70 N ATOM 1349 CA LEU A 106 0.041 -5.118 -8.380 1.00 15.11 C ATOM 1350 C LEU A 106 1.154 -5.907 -7.701 1.00 15.88 C ATOM 1351 O LEU A 106 0.888 -6.702 -6.794 1.00 17.28 O ATOM 1352 CB LEU A 106 -0.616 -4.185 -7.360 1.00 14.95 C ATOM 1353 CG LEU A 106 -1.660 -3.192 -7.876 1.00 11.31 C ATOM 1354 CD1 LEU A 106 -2.233 -2.433 -6.697 1.00 13.42 C ATOM 1355 CD2 LEU A 106 -1.033 -2.256 -8.906 1.00 9.34 C ATOM 1356 HA LEU A 106 0.436 -4.508 -9.192 1.00 0.00 H ATOM 1357 HB2 LEU A 106 -1.103 -4.811 -6.612 1.00 0.00 H ATOM 1358 HB3 LEU A 106 0.178 -3.607 -6.888 1.00 0.00 H ATOM 1359 HG LEU A 106 -2.471 -3.720 -8.376 1.00 0.00 H ATOM 1360 HD21 LEU A 106 -0.214 -1.705 -8.444 1.00 0.00 H ATOM 1361 HD22 LEU A 106 -0.652 -2.841 -9.743 1.00 0.00 H ATOM 1362 HD23 LEU A 106 -1.787 -1.555 -9.265 1.00 0.00 H ATOM 1363 HD11 LEU A 106 -2.699 -3.136 -6.006 1.00 0.00 H ATOM 1364 HD12 LEU A 106 -1.432 -1.897 -6.187 1.00 0.00 H ATOM 1365 HD13 LEU A 106 -2.979 -1.722 -7.052 1.00 0.00 H ATOM 1366 H LEU A 106 -1.425 -6.725 -8.277 1.00 0.00 H ATOM 1367 N VAL A 107 2.395 -5.715 -8.148 1.00 14.29 N ATOM 1368 CA VAL A 107 3.535 -6.390 -7.522 1.00 12.71 C ATOM 1369 C VAL A 107 3.979 -5.441 -6.418 1.00 12.53 C ATOM 1370 O VAL A 107 4.135 -4.241 -6.637 1.00 14.06 O ATOM 1371 CB VAL A 107 4.699 -6.631 -8.519 1.00 10.77 C ATOM 1372 CG1 VAL A 107 5.913 -7.212 -7.801 1.00 14.13 C ATOM 1373 CG2 VAL A 107 4.252 -7.603 -9.627 1.00 12.64 C ATOM 1374 HA VAL A 107 3.254 -7.378 -7.156 1.00 0.00 H ATOM 1375 HB VAL A 107 4.973 -5.672 -8.960 1.00 0.00 H ATOM 1376 HG11 VAL A 107 6.246 -6.516 -7.032 1.00 0.00 H ATOM 1377 HG12 VAL A 107 5.641 -8.162 -7.340 1.00 0.00 H ATOM 1378 HG13 VAL A 107 6.716 -7.373 -8.520 1.00 0.00 H ATOM 1379 HG21 VAL A 107 3.960 -8.553 -9.179 1.00 0.00 H ATOM 1380 HG22 VAL A 107 3.404 -7.177 -10.162 1.00 0.00 H ATOM 1381 HG23 VAL A 107 5.077 -7.765 -10.321 1.00 0.00 H ATOM 1382 H VAL A 107 2.557 -5.077 -8.953 1.00 0.00 H ATOM 1383 N THR A 108 4.165 -5.975 -5.215 1.00 17.34 N ATOM 1384 CA THR A 108 4.565 -5.139 -4.091 1.00 22.13 C ATOM 1385 C THR A 108 5.890 -5.616 -3.517 1.00 25.80 C ATOM 1386 O THR A 108 6.490 -6.565 -4.024 1.00 25.05 O ATOM 1387 CB THR A 108 3.515 -5.173 -2.960 1.00 26.02 C ATOM 1388 OG1 THR A 108 3.494 -6.482 -2.379 1.00 29.55 O ATOM 1389 CG2 THR A 108 2.128 -4.855 -3.510 1.00 27.41 C ATOM 1390 HA THR A 108 4.658 -4.121 -4.470 1.00 0.00 H ATOM 1391 HB THR A 108 3.781 -4.428 -2.210 1.00 0.00 H ATOM 1392 HG1 THR A 108 3.257 -7.146 -3.074 1.00 0.00 H ATOM 1393 HG23 THR A 108 2.134 -3.860 -3.955 1.00 0.00 H ATOM 1394 HG21 THR A 108 1.862 -5.591 -4.268 1.00 0.00 H ATOM 1395 HG22 THR A 108 1.401 -4.887 -2.699 1.00 0.00 H ATOM 1396 H THR A 108 4.024 -6.996 -5.075 1.00 0.00 H ATOM 1397 N LEU A 109 6.346 -4.928 -2.472 1.00 26.03 N ATOM 1398 CA LEU A 109 7.599 -5.272 -1.803 1.00 29.62 C ATOM 1399 C LEU A 109 7.367 -6.282 -0.677 1.00 33.70 C ATOM 1400 O LEU A 109 7.306 -5.858 0.502 1.00 37.98 O ATOM 1401 CB LEU A 109 8.262 -4.002 -1.261 1.00 25.23 C ATOM 1402 CG LEU A 109 9.090 -3.275 -2.324 1.00 24.55 C ATOM 1403 CD1 LEU A 109 9.373 -1.861 -1.929 1.00 26.85 C ATOM 1404 CD2 LEU A 109 10.373 -4.018 -2.510 1.00 28.06 C ATOM 1405 HA LEU A 109 8.263 -5.738 -2.531 1.00 0.00 H ATOM 1406 HB2 LEU A 109 7.485 -3.328 -0.901 1.00 0.00 H ATOM 1407 HB3 LEU A 109 8.917 -4.275 -0.433 1.00 0.00 H ATOM 1408 HG LEU A 109 8.524 -3.246 -3.255 1.00 0.00 H ATOM 1409 HD21 LEU A 109 10.917 -4.044 -1.566 1.00 0.00 H ATOM 1410 HD22 LEU A 109 10.158 -5.036 -2.835 1.00 0.00 H ATOM 1411 HD23 LEU A 109 10.977 -3.514 -3.265 1.00 0.00 H ATOM 1412 HD11 LEU A 109 8.432 -1.326 -1.799 1.00 0.00 H ATOM 1413 HD12 LEU A 109 9.930 -1.851 -0.992 1.00 0.00 H ATOM 1414 HD13 LEU A 109 9.962 -1.378 -2.709 1.00 0.00 H ATOM 1415 H LEU A 109 5.793 -4.120 -2.121 1.00 0.00 H TER 1416 LEU A 109 HETATM 1417 K K A 1 -21.895 4.420 -19.882 1.00 11.89 K HETATM 1418 O HOH 2 4.741 -1.473 -14.276 1.00 13.14 O HETATM 1419 O HOH 3 -22.056 11.026 -18.069 1.00 13.94 O HETATM 1420 O HOH 4 -0.901 5.873 -1.686 1.00 11.40 O HETATM 1421 O HOH 5 -6.540 8.573 -5.811 1.00 14.36 O HETATM 1422 O HOH 6 -15.434 3.847 -24.045 1.00 11.41 O HETATM 1423 O HOH 7 0.808 3.672 -1.760 1.00 19.14 O HETATM 1424 O HOH 8 -19.026 -0.581 -21.352 1.00 24.27 O HETATM 1425 O HOH 9 -16.903 -2.285 -22.103 1.00 13.51 O HETATM 1426 O HOH 10 -21.693 1.628 -19.607 1.00 16.36 O HETATM 1427 O HOH 11 -14.882 -0.740 -23.435 1.00 15.55 O HETATM 1428 O HOH 12 -27.869 0.104 -17.569 1.00 24.72 O HETATM 1429 O HOH 13 -26.808 -0.975 -13.304 1.00 21.38 O HETATM 1430 O HOH 14 0.530 9.493 -4.238 1.00 18.05 O HETATM 1431 O HOH 15 2.041 9.201 -13.793 1.00 18.44 O HETATM 1432 O HOH 16 0.000 1.595 0.000 1.00 10.87 O HETATM 1433 O HOH 17 -16.392 1.515 -24.157 1.00 17.77 O HETATM 1434 O HOH 18 -6.525 -10.353 -13.418 1.00 24.92 O HETATM 1435 O HOH 19 -33.945 1.945 -15.481 1.00 35.25 O HETATM 1436 O HOH 20 -31.436 1.696 -12.744 1.00 33.68 O HETATM 1437 O HOH 21 0.342 3.048 -24.002 1.00 41.94 O HETATM 1438 O HOH 22 -8.161 -12.242 -15.618 1.00 42.91 O HETATM 1439 O HOH 23 -12.450 -13.198 -19.216 1.00 40.14 O HETATM 1440 O HOH 24 5.257 6.661 -12.214 1.00 15.34 O HETATM 1441 O HOH 25 -8.316 1.948 -23.760 1.00 37.20 O HETATM 1442 O HOH 26 -27.105 5.133 -5.413 1.00 18.80 O HETATM 1443 O HOH 27 -5.808 11.328 -6.505 1.00 47.55 O HETATM 1444 O HOH 28 -8.611 12.264 -17.197 1.00 35.35 O HETATM 1445 O HOH 29 -15.093 11.247 -22.019 1.00 34.16 O HETATM 1446 O HOH 30 -21.651 7.069 -18.776 1.00 23.89 O HETATM 1447 O HOH 31 -28.020 3.459 -17.324 1.00 24.21 O HETATM 1448 O HOH 32 -11.553 -9.770 -9.407 1.00 21.18 O HETATM 1449 O HOH 33 0.392 8.591 -1.763 1.00 18.17 O HETATM 1450 O HOH 34 -18.748 -5.327 -7.315 1.00 19.79 O HETATM 1451 O HOH 35 -17.407 1.687 -1.599 1.00 18.69 O HETATM 1452 O HOH 36 -13.706 -5.369 -27.245 1.00 22.52 O HETATM 1453 O HOH 37 8.952 2.874 -5.978 1.00 38.58 O HETATM 1454 O HOH 38 4.988 -9.009 -0.334 1.00 38.36 O HETATM 1455 O HOH 39 5.271 -2.250 -2.043 1.00 26.90 O HETATM 1456 O HOH 40 12.005 -1.760 -15.607 1.00 22.03 O HETATM 1457 O HOH 41 -12.946 0.350 0.494 1.00 21.26 O HETATM 1458 O HOH 42 6.543 -2.874 -15.450 1.00 21.95 O HETATM 1459 O HOH 43 5.062 7.527 -7.551 1.00 31.25 O HETATM 1460 O HOH 44 -16.208 -9.216 0.110 1.00 25.19 O HETATM 1461 O HOH 45 -17.627 11.230 -17.925 1.00 41.18 O HETATM 1462 O HOH 46 -14.199 -8.049 -21.080 1.00 23.09 O HETATM 1463 O HOH 47 -2.856 -10.048 -15.318 1.00 30.50 O HETATM 1464 O HOH 48 -11.347 -7.697 -23.871 1.00 24.43 O HETATM 1465 O HOH 49 -30.768 7.958 -12.351 1.00 22.36 O HETATM 1466 O HOH 50 -3.103 10.705 -7.008 1.00 38.01 O HETATM 1467 O HOH 51 -20.488 11.672 -13.520 1.00 22.08 O HETATM 1468 O HOH 52 3.795 -0.580 -21.492 1.00 38.20 O HETATM 1469 O HOH 53 -10.164 9.427 -10.542 1.00 35.56 O HETATM 1470 O HOH 54 -33.895 3.977 -18.150 1.00 25.07 O HETATM 1471 O HOH 55 -7.976 11.656 -7.969 1.00 33.41 O HETATM 1472 O HOH 56 5.125 -4.946 0.410 1.00 35.37 O HETATM 1473 O HOH 57 -23.934 -2.152 -5.353 1.00 31.43 O HETATM 1474 O HOH 58 -0.186 -7.848 -4.582 1.00 25.47 O HETATM 1475 O HOH 59 -9.515 -10.439 -10.720 1.00 26.37 O HETATM 1476 O HOH 60 -19.779 13.063 -23.337 1.00 40.78 O HETATM 1477 O HOH 61 12.706 7.788 -5.520 1.00 34.31 O HETATM 1478 O HOH 62 -20.051 -9.689 -13.933 1.00 35.60 O HETATM 1479 O HOH 63 4.867 -4.815 -14.942 1.00 24.67 O HETATM 1480 O HOH 64 -19.689 -7.573 -5.671 1.00 34.34 O HETATM 1481 O HOH 65 3.802 -8.762 -5.020 1.00 24.85 O HETATM 1482 O HOH 66 -19.507 0.896 0.135 1.00 25.67 O HETATM 1483 O HOH 67 -29.277 3.252 -6.260 1.00 30.72 O HETATM 1484 O HOH 68 -20.772 13.125 -16.252 1.00 36.70 O HETATM 1485 O HOH 69 -10.271 -12.745 -17.810 1.00 40.14 O HETATM 1486 O HOH 70 11.951 -0.410 -5.076 1.00 33.89 O HETATM 1487 O HOH 71 5.971 -10.907 -2.258 1.00 42.24 O HETATM 1488 O HOH 72 2.141 6.778 -0.714 1.00 19.60 O HETATM 1489 O HOH 73 2.165 -0.034 -0.361 1.00 29.73 O HETATM 1490 O HOH 74 11.351 0.408 -13.077 1.00 25.91 O HETATM 1491 O HOH 75 8.130 4.827 -12.274 1.00 31.22 O HETATM 1492 O HOH 76 -32.405 2.507 -8.049 1.00 42.84 O HETATM 1493 O HOH 77 1.871 1.267 -22.288 1.00 36.37 O HETATM 1494 O HOH 78 10.912 4.182 -6.182 1.00 26.98 O HETATM 1495 O HOH 79 -1.182 -10.650 -17.509 1.00 30.01 O HETATM 1496 O HOH 80 -25.915 -9.744 -17.541 1.00 33.26 O HETATM 1497 O HOH 81 -2.278 2.533 -23.154 1.00 37.36 O HETATM 1498 O HOH 82 -0.484 -11.424 -5.198 1.00 41.27 O HETATM 1499 O HOH 83 -15.580 -9.265 -19.160 1.00 40.59 O HETATM 1500 O HOH 84 10.920 -1.135 -19.408 1.00 30.02 O HETATM 1501 O HOH 85 0.615 -9.715 -7.676 1.00 35.95 O HETATM 1502 O HOH 86 -7.250 -0.367 -23.114 1.00 40.67 O HETATM 1503 O HOH 87 -27.868 -1.250 -10.872 1.00 44.06 O HETATM 1504 O HOH 88 -4.261 12.971 -14.383 1.00 36.82 O HETATM 1505 O HOH 89 -2.011 13.289 -15.288 1.00 38.65 O HETATM 1506 O HOH 90 -29.545 1.695 -14.655 1.00 28.70 O HETATM 1507 O HOH 91 -21.276 14.178 -13.451 1.00 36.28 O HETATM 1508 O HOH 92 -6.335 9.762 -21.160 1.00 31.58 O HETATM 1509 O HOH 93 3.763 8.983 -11.525 1.00 29.39 O HETATM 1510 O HOH 94 -21.954 -0.052 0.559 1.00 42.41 O HETATM 1511 O HOH 95 -20.824 -2.562 0.843 1.00 30.24 O HETATM 1512 O HOH 96 -19.875 -11.879 -11.981 1.00 41.93 O HETATM 1513 O HOH 97 -1.304 11.283 -5.374 1.00 32.06 O HETATM 1514 O HOH 98 -24.410 -10.869 -21.071 1.00 31.21 O HETATM 1515 O HOH 99 -14.343 12.918 -20.181 1.00 39.93 O HETATM 1516 O HOH 100 -20.544 -4.570 -20.031 1.00 29.37 O HETATM 1517 O HOH 101 -17.839 -9.539 -1.916 1.00 35.42 O HETATM 1518 O HOH 102 -26.666 -1.543 -7.970 1.00 44.47 O HETATM 1519 O HOH 103 -12.460 12.439 -23.714 1.00 34.25 O HETATM 1520 O HOH 104 -21.756 15.609 -16.897 1.00 40.90 O HETATM 1521 O HOH 105 0.380 -1.740 -26.163 1.00 45.26 O HETATM 1522 O HOH 106 -15.553 0.888 0.342 1.00 26.17 O HETATM 1523 O HOH 107 -10.300 6.544 -4.844 1.00 15.73 O HETATM 1524 O HOH 108 -18.153 11.538 -11.884 1.00 18.91 O HETATM 1525 O HOH 109 -9.023 7.889 -6.851 1.00 14.13 O HETATM 1526 O HOH 110 -11.575 10.169 -0.139 1.00 13.35 O HETATM 1527 O HOH 111 -17.858 4.182 -2.515 1.00 21.47 O HETATM 1528 O HOH 112 -10.363 10.004 -1.593 1.00 15.40 O HETATM 1529 O HOH 113 -26.031 7.447 -9.618 1.00 16.70 O HETATM 1530 O HOH 114 -22.782 7.978 -0.080 1.00 25.90 O HETATM 1531 O HOH 115 -10.599 9.971 -6.933 1.00 35.85 O HETATM 1532 O HOH 116 -10.942 12.493 0.910 1.00 32.17 O HETATM 1533 O HOH 117 -19.142 14.422 -8.248 1.00 28.46 O HETATM 1534 O HOH 118 -25.555 5.865 -7.504 1.00 25.73 O HETATM 1535 O HOH 119 -10.109 10.696 -4.244 1.00 37.81 O HETATM 1536 O HOH 120 -17.096 13.826 -12.009 1.00 44.24 O HETATM 1537 O HOH 121 -16.724 11.304 -2.399 1.00 29.79 O HETATM 1538 O HOH 122 -16.573 6.370 3.203 1.00 41.46 O HETATM 1539 O HOH 123 -5.510 9.242 5.530 1.00 40.11 O HETATM 1540 O HOH 124 -7.955 10.762 -1.021 1.00 39.64 O HETATM 1541 N LEU A 125 -23.960 10.080 -6.049 1.00 0.24 N HETATM 1542 CA LEU A 125 -24.866 10.081 -7.235 1.00 0.07 C HETATM 1543 C LEU A 125 -24.042 10.168 -8.511 1.00 0.23 C HETATM 1544 O LEU A 125 -24.566 9.963 -9.619 1.00 -0.39 O HETATM 1545 N LEU A 125 -22.763 10.505 -8.365 1.00 -0.26 N HETATM 1546 CA LEU A 125 -21.857 10.568 -9.516 1.00 0.16 C HETATM 1547 C LEU A 125 -20.786 9.479 -9.343 1.00 0.21 C HETATM 1548 O LEU A 125 -20.526 9.027 -8.231 1.00 -0.39 O HETATM 1549 N LEU A 125 -20.179 9.059 -10.444 1.00 -0.26 N HETATM 1550 CA LEU A 125 -19.130 8.047 -10.366 1.00 0.14 C HETATM 1551 C LEU A 125 -18.004 8.550 -9.448 1.00 0.21 C HETATM 1552 O LEU A 125 -17.525 7.827 -8.570 1.00 -0.39 O HETATM 1553 N LEU A 125 -17.584 9.796 -9.638 1.00 -0.26 N HETATM 1554 CA LEU A 125 -16.514 10.324 -8.809 1.00 0.13 C HETATM 1555 C LEU A 125 -16.843 10.326 -7.310 1.00 0.20 C HETATM 1556 O LEU A 125 -15.961 10.081 -6.480 1.00 -0.39 O HETATM 1557 N LEU A 125 -18.103 10.612 -6.954 1.00 -0.26 N HETATM 1558 CA LEU A 125 -18.539 10.604 -5.547 1.00 0.14 C HETATM 1559 C LEU A 125 -18.256 9.240 -4.922 1.00 0.21 C HETATM 1560 O LEU A 125 -17.734 9.148 -3.804 1.00 -0.39 O HETATM 1561 N LEU A 125 -18.614 8.185 -5.641 1.00 -0.26 N HETATM 1562 CA LEU A 125 -18.401 6.831 -5.141 1.00 0.14 C HETATM 1563 C LEU A 125 -16.936 6.402 -5.194 1.00 0.21 C HETATM 1564 O LEU A 125 -16.414 5.836 -4.232 1.00 -0.39 O HETATM 1565 N LEU A 125 -16.285 6.667 -6.326 1.00 -0.26 N HETATM 1566 CA LEU A 125 -14.893 6.276 -6.511 1.00 0.14 C HETATM 1567 C LEU A 125 -13.950 6.929 -5.495 1.00 0.21 C HETATM 1568 O LEU A 125 -13.059 6.276 -4.950 1.00 -0.39 O HETATM 1569 N LEU A 125 -14.172 8.210 -5.214 1.00 -0.26 N HETATM 1570 CA LEU A 125 -13.308 8.930 -4.283 1.00 0.13 C HETATM 1571 C LEU A 125 -13.328 8.347 -2.871 1.00 0.20 C HETATM 1572 O LEU A 125 -12.376 8.520 -2.105 1.00 -0.39 O HETATM 1573 N LEU A 125 -14.391 7.646 -2.514 1.00 -0.26 N HETATM 1574 CA LEU A 125 -14.439 7.099 -1.168 1.00 0.13 C HETATM 1575 C LEU A 125 -13.658 5.801 -1.002 1.00 0.20 C HETATM 1576 O LEU A 125 -13.543 5.292 0.117 1.00 -0.39 O HETATM 1577 N LEU A 125 -13.085 5.281 -2.093 1.00 -0.26 N HETATM 1578 CA LEU A 125 -12.281 4.056 -1.997 1.00 0.13 C HETATM 1579 C LEU A 125 -10.896 4.377 -1.427 1.00 0.20 C HETATM 1580 O LEU A 125 -10.160 3.467 -1.037 1.00 -0.39 O HETATM 1581 N LEU A 125 -10.533 5.659 -1.382 1.00 -0.26 N HETATM 1582 CA LEU A 125 -9.243 6.050 -0.804 1.00 0.16 C HETATM 1583 C LEU A 125 -9.427 7.103 0.281 1.00 0.21 C HETATM 1584 O LEU A 125 -10.328 7.945 0.195 1.00 -0.39 O HETATM 1585 N LEU A 125 -8.554 7.068 1.287 1.00 -0.27 N HETATM 1586 CA LEU A 125 -8.618 8.036 2.382 1.00 0.12 C HETATM 1587 C LEU A 125 -7.839 9.283 1.984 1.00 0.06 C HETATM 1588 O LEU A 125 -6.937 9.151 1.116 1.00 -0.57 O HETATM 1589 OXT LEU A 125 -8.118 10.367 2.556 1.00 -0.57 O HETATM 1590 CB LEU A 125 -7.996 7.445 3.647 1.00 0.08 C HETATM 1591 OG LEU A 125 -6.591 7.278 3.481 1.00 -0.39 O HETATM 1592 H98 LEU A 125 -6.191 8.122 3.305 1.00 0.21 H HETATM 1593 H96 LEU A 125 -8.455 6.467 3.853 1.00 0.06 H HETATM 1594 H97 LEU A 125 -8.182 8.123 4.493 1.00 0.06 H HETATM 1595 H95 LEU A 125 -9.668 8.300 2.578 1.00 0.07 H HETATM 1596 H94 LEU A 125 -7.841 6.367 1.294 1.00 0.19 H HETATM 1597 CB LEU A 125 -8.261 6.634 -1.837 1.00 0.09 C HETATM 1598 OG1 LEU A 125 -8.893 7.699 -2.561 1.00 -0.39 O HETATM 1599 H90 LEU A 125 -9.154 8.382 -1.954 1.00 0.21 H HETATM 1600 CG2 LEU A 125 -7.782 5.574 -2.789 1.00 -0.03 C HETATM 1601 H91 LEU A 125 -7.084 6.020 -3.513 1.00 0.03 H HETATM 1602 H92 LEU A 125 -8.642 5.146 -3.325 1.00 0.03 H HETATM 1603 H93 LEU A 125 -7.269 4.780 -2.226 1.00 0.03 H HETATM 1604 H89 LEU A 125 -7.390 7.040 -1.301 1.00 0.06 H HETATM 1605 H88 LEU A 125 -8.789 5.152 -0.359 1.00 0.08 H HETATM 1606 H87 LEU A 125 -11.146 6.361 -1.746 1.00 0.19 H HETATM 1607 CB LEU A 125 -12.116 3.394 -3.365 1.00 -0.01 C HETATM 1608 CG LEU A 125 -13.419 2.936 -4.036 1.00 -0.04 C HETATM 1609 CD1 LEU A 125 -13.064 2.243 -5.329 1.00 -0.06 C HETATM 1610 H81 LEU A 125 -13.984 1.905 -5.829 1.00 0.02 H HETATM 1611 H82 LEU A 125 -12.423 1.375 -5.116 1.00 0.02 H HETATM 1612 H83 LEU A 125 -12.527 2.944 -5.985 1.00 0.02 H HETATM 1613 CD2 LEU A 125 -14.216 1.995 -3.114 1.00 -0.06 C HETATM 1614 H84 LEU A 125 -14.463 2.520 -2.180 1.00 0.02 H HETATM 1615 H85 LEU A 125 -13.610 1.106 -2.885 1.00 0.02 H HETATM 1616 H86 LEU A 125 -15.144 1.687 -3.618 1.00 0.02 H HETATM 1617 H80 LEU A 125 -14.039 3.817 -4.257 1.00 0.03 H HETATM 1618 H78 LEU A 125 -11.471 2.512 -3.240 1.00 0.03 H HETATM 1619 H79 LEU A 125 -11.625 4.116 -4.034 1.00 0.03 H HETATM 1620 H77 LEU A 125 -12.792 3.353 -1.323 1.00 0.08 H HETATM 1621 H76 LEU A 125 -13.205 5.729 -2.979 1.00 0.19 H HETATM 1622 CB LEU A 125 -15.896 6.974 -0.718 1.00 0.00 C HETATM 1623 CG LEU A 125 -16.559 8.363 -0.614 1.00 0.04 C HETATM 1624 CD LEU A 125 -17.887 8.348 0.102 1.00 0.17 C HETATM 1625 OE1 LEU A 125 -17.958 8.088 1.313 1.00 -0.40 O HETATM 1626 NE2 LEU A 125 -18.957 8.626 -0.642 1.00 -0.30 N HETATM 1627 H74 LEU A 125 -19.867 8.632 -0.227 1.00 0.18 H HETATM 1628 H75 LEU A 125 -18.850 8.828 -1.615 1.00 0.18 H HETATM 1629 H72 LEU A 125 -16.717 8.750 -1.632 1.00 0.05 H HETATM 1630 H73 LEU A 125 -15.878 9.033 -0.069 1.00 0.05 H HETATM 1631 H70 LEU A 125 -15.928 6.484 0.267 1.00 0.03 H HETATM 1632 H71 LEU A 125 -16.448 6.365 -1.449 1.00 0.03 H HETATM 1633 H69 LEU A 125 -13.958 7.835 -0.507 1.00 0.08 H HETATM 1634 H68 LEU A 125 -15.144 7.496 -3.155 1.00 0.19 H HETATM 1635 CB LEU A 125 -13.708 10.409 -4.258 1.00 -0.02 C HETATM 1636 H65 LEU A 125 -13.058 10.953 -3.557 1.00 0.03 H HETATM 1637 H66 LEU A 125 -14.755 10.500 -3.933 1.00 0.03 H HETATM 1638 H67 LEU A 125 -13.598 10.836 -5.266 1.00 0.03 H HETATM 1639 H64 LEU A 125 -12.276 8.857 -4.657 1.00 0.08 H HETATM 1640 H63 LEU A 125 -14.939 8.685 -5.645 1.00 0.19 H HETATM 1641 CB LEU A 125 -14.446 6.600 -7.950 1.00 0.00 C HETATM 1642 CG LEU A 125 -13.076 6.057 -8.276 1.00 -0.04 C HETATM 1643 CD1 LEU A 125 -11.882 6.709 -8.199 1.00 0.02 C HETATM 1644 NE1 LEU A 125 -10.852 5.851 -8.497 1.00 -0.29 N HETATM 1645 CE2 LEU A 125 -11.376 4.614 -8.784 1.00 0.06 C HETATM 1646 CD2 LEU A 125 -12.779 4.712 -8.654 1.00 -0.02 C HETATM 1647 CE3 LEU A 125 -13.571 3.575 -8.893 1.00 -0.07 C HETATM 1648 CZ3 LEU A 125 -12.936 2.379 -9.257 1.00 -0.08 C HETATM 1649 CH2 LEU A 125 -11.524 2.320 -9.378 1.00 -0.08 C HETATM 1650 CZ2 LEU A 125 -10.737 3.427 -9.144 1.00 -0.04 C HETATM 1651 H60 LEU A 125 -9.658 3.377 -9.236 1.00 0.05 H HETATM 1652 H62 LEU A 125 -11.054 1.385 -9.660 1.00 0.05 H HETATM 1653 H61 LEU A 125 -13.529 1.492 -9.447 1.00 0.05 H HETATM 1654 H59 LEU A 125 -14.650 3.622 -8.798 1.00 0.05 H HETATM 1655 H58 LEU A 125 -9.851 6.095 -8.504 1.00 0.22 H HETATM 1656 H57 LEU A 125 -11.762 7.760 -7.939 1.00 0.08 H HETATM 1657 H55 LEU A 125 -14.429 7.693 -8.075 1.00 0.04 H HETATM 1658 H56 LEU A 125 -15.173 6.162 -8.650 1.00 0.04 H HETATM 1659 H54 LEU A 125 -14.830 5.187 -6.370 1.00 0.08 H HETATM 1660 H53 LEU A 125 -16.762 7.144 -7.064 1.00 0.19 H HETATM 1661 CB LEU A 125 -19.236 5.843 -5.958 1.00 0.00 C HETATM 1662 CG LEU A 125 -20.698 6.124 -5.895 1.00 -0.04 C HETATM 1663 CD1 LEU A 125 -21.507 6.523 -6.916 1.00 0.02 C HETATM 1664 NE1 LEU A 125 -22.796 6.690 -6.463 1.00 -0.29 N HETATM 1665 CE2 LEU A 125 -22.830 6.399 -5.123 1.00 0.06 C HETATM 1666 CD2 LEU A 125 -21.522 6.037 -4.735 1.00 -0.02 C HETATM 1667 CE3 LEU A 125 -21.281 5.686 -3.403 1.00 -0.07 C HETATM 1668 CZ3 LEU A 125 -22.352 5.707 -2.503 1.00 -0.08 C HETATM 1669 CH2 LEU A 125 -23.644 6.074 -2.924 1.00 -0.08 C HETATM 1670 CZ2 LEU A 125 -23.902 6.422 -4.224 1.00 -0.04 C HETATM 1671 H50 LEU A 125 -24.898 6.704 -4.544 1.00 0.05 H HETATM 1672 H52 LEU A 125 -24.454 6.082 -2.203 1.00 0.05 H HETATM 1673 H51 LEU A 125 -22.184 5.437 -1.467 1.00 0.05 H HETATM 1674 H49 LEU A 125 -20.287 5.404 -3.075 1.00 0.05 H HETATM 1675 H48 LEU A 125 -23.601 6.984 -7.035 1.00 0.22 H HETATM 1676 H47 LEU A 125 -21.181 6.686 -7.942 1.00 0.08 H HETATM 1677 H45 LEU A 125 -19.057 4.829 -5.571 1.00 0.04 H HETATM 1678 H46 LEU A 125 -18.914 5.897 -7.008 1.00 0.04 H HETATM 1679 H44 LEU A 125 -18.733 6.797 -4.093 1.00 0.08 H HETATM 1680 H43 LEU A 125 -19.036 8.319 -6.538 1.00 0.19 H HETATM 1681 CB LEU A 125 -20.046 10.872 -5.436 1.00 0.01 C HETATM 1682 CG LEU A 125 -20.598 10.686 -4.052 1.00 -0.00 C HETATM 1683 ND1 LEU A 125 -20.443 11.628 -3.056 1.00 -0.33 N HETATM 1684 CE1 LEU A 125 -20.973 11.171 -1.934 1.00 0.09 C HETATM 1685 NE2 LEU A 125 -21.466 9.968 -2.164 1.00 -0.28 N HETATM 1686 CD2 LEU A 125 -21.248 9.642 -3.484 1.00 0.03 C HETATM 1687 H40 LEU A 125 -21.543 8.718 -3.979 1.00 0.07 H HETATM 1688 H42 LEU A 125 -21.937 9.371 -1.469 1.00 0.24 H HETATM 1689 H41 LEU A 125 -20.998 11.698 -0.981 1.00 0.12 H HETATM 1690 H38 LEU A 125 -20.571 10.182 -6.114 1.00 0.04 H HETATM 1691 H39 LEU A 125 -20.237 11.909 -5.748 1.00 0.04 H HETATM 1692 H37 LEU A 125 -17.989 11.382 -4.998 1.00 0.08 H HETATM 1693 H36 LEU A 125 -18.768 10.838 -7.666 1.00 0.19 H HETATM 1694 CB LEU A 125 -16.127 11.726 -9.280 1.00 -0.00 C HETATM 1695 CG LEU A 125 -14.789 12.192 -8.701 1.00 0.00 C HETATM 1696 CD LEU A 125 -13.660 11.155 -8.866 1.00 0.04 C HETATM 1697 OE1 LEU A 125 -13.310 10.802 -10.026 1.00 -0.57 O HETATM 1698 OE2 LEU A 125 -13.121 10.694 -7.825 1.00 -0.57 O HETATM 1699 H34 LEU A 125 -14.924 12.394 -7.628 1.00 0.04 H HETATM 1700 H35 LEU A 125 -14.490 13.118 -9.214 1.00 0.04 H HETATM 1701 H32 LEU A 125 -16.911 12.432 -8.968 1.00 0.03 H HETATM 1702 H33 LEU A 125 -16.054 11.721 -10.377 1.00 0.03 H HETATM 1703 H31 LEU A 125 -15.641 9.670 -8.948 1.00 0.08 H HETATM 1704 H30 LEU A 125 -18.001 10.366 -10.346 1.00 0.19 H HETATM 1705 CB LEU A 125 -18.562 7.761 -11.745 1.00 0.02 C HETATM 1706 CG LEU A 125 -17.369 6.877 -11.706 1.00 -0.04 C HETATM 1707 CD1 LEU A 125 -17.511 5.515 -11.434 1.00 -0.06 C HETATM 1708 CE1 LEU A 125 -16.393 4.706 -11.308 1.00 -0.07 C HETATM 1709 CZ LEU A 125 -15.128 5.239 -11.455 1.00 -0.07 C HETATM 1710 CE2 LEU A 125 -14.975 6.596 -11.734 1.00 -0.07 C HETATM 1711 CD2 LEU A 125 -16.098 7.403 -11.857 1.00 -0.06 C HETATM 1712 H26 LEU A 125 -15.978 8.458 -12.074 1.00 0.06 H HETATM 1713 H28 LEU A 125 -13.984 7.019 -11.854 1.00 0.06 H HETATM 1714 H29 LEU A 125 -14.256 4.604 -11.354 1.00 0.06 H HETATM 1715 H27 LEU A 125 -16.512 3.650 -11.093 1.00 0.06 H HETATM 1716 H25 LEU A 125 -18.501 5.088 -11.321 1.00 0.06 H HETATM 1717 H23 LEU A 125 -18.277 8.715 -12.212 1.00 0.05 H HETATM 1718 H24 LEU A 125 -19.340 7.274 -12.351 1.00 0.05 H HETATM 1719 H22 LEU A 125 -19.553 7.120 -9.951 1.00 0.08 H HETATM 1720 H21 LEU A 125 -20.441 9.437 -11.332 1.00 0.19 H HETATM 1721 CB LEU A 125 -21.130 11.932 -9.649 1.00 0.09 C HETATM 1722 OG1 LEU A 125 -20.332 12.166 -8.489 1.00 -0.39 O HETATM 1723 H17 LEU A 125 -19.889 13.002 -8.574 1.00 0.21 H HETATM 1724 CG2 LEU A 125 -22.133 13.069 -9.820 1.00 -0.03 C HETATM 1725 H18 LEU A 125 -21.593 14.023 -9.912 1.00 0.03 H HETATM 1726 H19 LEU A 125 -22.798 13.107 -8.944 1.00 0.03 H HETATM 1727 H20 LEU A 125 -22.731 12.897 -10.727 1.00 0.03 H HETATM 1728 H16 LEU A 125 -20.477 11.900 -10.533 1.00 0.06 H HETATM 1729 H15 LEU A 125 -22.435 10.382 -10.433 1.00 0.08 H HETATM 1730 H14 LEU A 125 -22.413 10.719 -7.453 1.00 0.19 H HETATM 1731 CB LEU A 125 -25.851 11.267 -7.161 1.00 0.01 C HETATM 1732 CG LEU A 125 -26.865 11.275 -6.002 1.00 -0.04 C HETATM 1733 CD1 LEU A 125 -27.775 12.493 -6.117 1.00 -0.06 C HETATM 1734 H8 LEU A 125 -28.496 12.492 -5.286 1.00 0.02 H HETATM 1735 H9 LEU A 125 -28.317 12.457 -7.073 1.00 0.02 H HETATM 1736 H10 LEU A 125 -27.168 13.409 -6.074 1.00 0.02 H HETATM 1737 CD2 LEU A 125 -27.687 9.999 -6.042 1.00 -0.06 C HETATM 1738 H11 LEU A 125 -27.018 9.130 -5.958 1.00 0.02 H HETATM 1739 H12 LEU A 125 -28.238 9.947 -6.993 1.00 0.02 H HETATM 1740 H13 LEU A 125 -28.400 9.996 -5.204 1.00 0.02 H HETATM 1741 H7 LEU A 125 -26.321 11.323 -5.047 1.00 0.03 H HETATM 1742 H5 LEU A 125 -26.423 11.280 -8.100 1.00 0.03 H HETATM 1743 H6 LEU A 125 -25.254 12.188 -7.083 1.00 0.03 H HETATM 1744 H4 LEU A 125 -25.441 9.143 -7.244 1.00 0.11 H HETATM 1745 H1 LEU A 125 -24.510 10.022 -5.206 1.00 0.20 H HETATM 1746 H2 LEU A 125 -23.418 10.930 -6.039 1.00 0.20 H HETATM 1747 H3 LEU A 125 -23.340 9.287 -6.101 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1541 1542 1745 1746 1747 CONECT 1542 1541 1543 1731 1744 CONECT 1543 1542 1544 1545 CONECT 1544 1543 CONECT 1545 1543 1546 1730 CONECT 1546 1545 1547 1721 1729 CONECT 1547 1546 1548 1549 CONECT 1548 1547 CONECT 1549 1547 1550 1720 CONECT 1550 1549 1551 1705 1719 CONECT 1551 1550 1552 1553 CONECT 1552 1551 CONECT 1553 1551 1554 1704 CONECT 1554 1553 1555 1694 1703 CONECT 1555 1554 1556 1557 CONECT 1556 1555 CONECT 1557 1555 1558 1693 CONECT 1558 1557 1559 1681 1692 CONECT 1559 1558 1560 1561 CONECT 1560 1559 CONECT 1561 1559 1562 1680 CONECT 1562 1561 1563 1661 1679 CONECT 1563 1562 1564 1565 CONECT 1564 1563 CONECT 1565 1563 1566 1660 CONECT 1566 1565 1567 1641 1659 CONECT 1567 1566 1568 1569 CONECT 1568 1567 CONECT 1569 1567 1570 1640 CONECT 1570 1569 1571 1635 1639 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 1574 1634 CONECT 1574 1573 1575 1622 1633 CONECT 1575 1574 1576 1577 CONECT 1576 1575 CONECT 1577 1575 1578 1621 CONECT 1578 1577 1579 1607 1620 CONECT 1579 1578 1580 1581 CONECT 1580 1579 CONECT 1581 1579 1582 1606 CONECT 1582 1581 1583 1597 1605 CONECT 1583 1582 1584 1585 CONECT 1584 1583 CONECT 1585 1583 1586 1596 CONECT 1586 1585 1587 1590 1595 CONECT 1587 1586 1588 1589 CONECT 1588 1587 CONECT 1589 1587 CONECT 1590 1586 1591 1593 1594 CONECT 1591 1590 1592 CONECT 1592 1591 CONECT 1593 1590 CONECT 1594 1590 CONECT 1595 1586 CONECT 1596 1585 CONECT 1597 1582 1598 1600 1604 CONECT 1598 1597 1599 CONECT 1599 1598 CONECT 1600 1597 1601 1602 1603 CONECT 1601 1600 CONECT 1602 1600 CONECT 1603 1600 CONECT 1604 1597 CONECT 1605 1582 CONECT 1606 1581 CONECT 1607 1578 1608 1618 1619 CONECT 1608 1607 1609 1613 1617 CONECT 1609 1608 1610 1611 1612 CONECT 1610 1609 CONECT 1611 1609 CONECT 1612 1609 CONECT 1613 1608 1614 1615 1616 CONECT 1614 1613 CONECT 1615 1613 CONECT 1616 1613 CONECT 1617 1608 CONECT 1618 1607 CONECT 1619 1607 CONECT 1620 1578 CONECT 1621 1577 CONECT 1622 1574 1623 1631 1632 CONECT 1623 1622 1624 1629 1630 CONECT 1624 1623 1625 1626 CONECT 1625 1624 CONECT 1626 1624 1627 1628 CONECT 1627 1626 CONECT 1628 1626 CONECT 1629 1623 CONECT 1630 1623 CONECT 1631 1622 CONECT 1632 1622 CONECT 1633 1574 CONECT 1634 1573 CONECT 1635 1570 1636 1637 1638 CONECT 1636 1635 CONECT 1637 1635 CONECT 1638 1635 CONECT 1639 1570 CONECT 1640 1569 CONECT 1641 1566 1642 1657 1658 CONECT 1642 1641 1643 1646 CONECT 1643 1642 1644 1656 CONECT 1644 1643 1645 1655 CONECT 1645 1644 1646 1650 CONECT 1646 1642 1645 1647 CONECT 1647 1646 1648 1654 CONECT 1648 1647 1649 1653 CONECT 1649 1648 1650 1652 CONECT 1650 1645 1649 1651 CONECT 1651 1650 CONECT 1652 1649 CONECT 1653 1648 CONECT 1654 1647 CONECT 1655 1644 CONECT 1656 1643 CONECT 1657 1641 CONECT 1658 1641 CONECT 1659 1566 CONECT 1660 1565 CONECT 1661 1562 1662 1677 1678 CONECT 1662 1661 1663 1666 CONECT 1663 1662 1664 1676 CONECT 1664 1663 1665 1675 CONECT 1665 1664 1666 1670 CONECT 1666 1662 1665 1667 CONECT 1667 1666 1668 1674 CONECT 1668 1667 1669 1673 CONECT 1669 1668 1670 1672 CONECT 1670 1665 1669 1671 CONECT 1671 1670 CONECT 1672 1669 CONECT 1673 1668 CONECT 1674 1667 CONECT 1675 1664 CONECT 1676 1663 CONECT 1677 1661 CONECT 1678 1661 CONECT 1679 1562 CONECT 1680 1561 CONECT 1681 1558 1682 1690 1691 CONECT 1682 1681 1683 1686 CONECT 1683 1682 1684 CONECT 1684 1683 1685 1689 CONECT 1685 1684 1686 1688 CONECT 1686 1682 1685 1687 CONECT 1687 1686 CONECT 1688 1685 CONECT 1689 1684 CONECT 1690 1681 CONECT 1691 1681 CONECT 1692 1558 CONECT 1693 1557 CONECT 1694 1554 1695 1701 1702 CONECT 1695 1694 1696 1699 1700 CONECT 1696 1695 1697 1698 CONECT 1697 1696 CONECT 1698 1696 CONECT 1699 1695 CONECT 1700 1695 CONECT 1701 1694 CONECT 1702 1694 CONECT 1703 1554 CONECT 1704 1553 CONECT 1705 1550 1706 1717 1718 CONECT 1706 1705 1707 1711 CONECT 1707 1706 1708 1716 CONECT 1708 1707 1709 1715 CONECT 1709 1708 1710 1714 CONECT 1710 1709 1711 1713 CONECT 1711 1706 1710 1712 CONECT 1712 1711 CONECT 1713 1710 CONECT 1714 1709 CONECT 1715 1708 CONECT 1716 1707 CONECT 1717 1705 CONECT 1718 1705 CONECT 1719 1550 CONECT 1720 1549 CONECT 1721 1546 1722 1724 1728 CONECT 1722 1721 1723 CONECT 1723 1722 CONECT 1724 1721 1725 1726 1727 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1724 CONECT 1728 1721 CONECT 1729 1546 CONECT 1730 1545 CONECT 1731 1542 1732 1742 1743 CONECT 1732 1731 1733 1737 1741 CONECT 1733 1732 1734 1735 1736 CONECT 1734 1733 CONECT 1735 1733 CONECT 1736 1733 CONECT 1737 1732 1738 1739 1740 CONECT 1738 1737 CONECT 1739 1737 CONECT 1740 1737 CONECT 1741 1732 CONECT 1742 1731 CONECT 1743 1731 CONECT 1744 1542 CONECT 1745 1541 CONECT 1746 1541 CONECT 1747 1541 MASTER 0 0 0 0 0 0 0 0 1746 1 211 7 END
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Entry Information
PDB ID
3jzp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Protein Mdm4
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.74(Å)
Affinity (Kd/Ki/IC50)
IC50=250nM
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
3
H
1
0
0
N
1
7
O
1
9
Molecular Weight
1519.680
Exact Mass
1518.740
No. of atoms
209
No. of bonds
214
Polar Surface Area
586.38
LOGP Value
0.01 (
Computed with XLOGP3
)
1.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 56
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 6
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](Cc1c[nH]c2c1cccc2)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)C)CCC(=O)N)CC(C)C
InChI String
InChI=1S/C73H99N17O19/c1-36(2)25-47(74)63(98)89-60(39(6)92)71(106)87-53(27-41-15-9-8-10-16-41)67(102)82-51(22-24-59(95)96)65(100)86-56(30-44-33-76-35-79-44)69(104)85-55(29-43-32-78-49-20-14-12-18-46(43)49)68(103)84-54(28-42-31-77-48-19-13-11-17-45(42)48)66(101)80-38(5)62(97)81-50(21-23-58(75)94)64(99)83-52(26-37(3)4)70(105)90-61(40(7)93)72(107)88-57(34-91)73(108)109/h8-20,31-33,35-40,47,50-57,60-61,77-78,91-93H,21-30,34,74H2,1-7H3,(H2,75,94)(H,76,79)(H,80,101)(H,81,97)(H,82,102)(H,83,99)(H,84,103)(H,85,104)(H,86,100)(H,87,106)(H,88,107)(H,89,98)(H,90,105)(H,95,96)(H,108,109)/p+1/t38-,39+,40+,47-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1
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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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