Browse entries in the PDBbind-CN Database
HEADER 4N5T_COMPLEX COMPND 4N5T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 90 LEU PRO GLY GLU GLY THR GLN VAL HIS PRO ARG ALA PRO SEQRES 2 A 90 LEU LEU GLN ILE LEU LYS VAL ALA GLY ALA GLN GLU GLU SEQRES 3 A 90 VAL PHE THR VAL LYS GLU VAL MET HIS TYR LEU GLY GLN SEQRES 4 A 90 TYR ILE MET MET LYS GLN LEU TYR ASP LYS GLN ARG GLN SEQRES 5 A 90 HIS ILE VAL HIS CYS HIS ASP ASP PRO LEU GLY GLU LEU SEQRES 6 A 90 LEU GLU VAL GLY SER PHE SER VAL LYS ASN PRO SER PRO SEQRES 7 A 90 LEU TYR GLU MET LEU LYS ARG ASN LEU VAL ILE LEU HET ACE A 216 247 ATOM 1 N LEU A 17 23.200 9.755 -11.662 1.00 80.15 N ATOM 2 CA LEU A 17 22.005 9.078 -11.081 1.00 80.15 C ATOM 3 C LEU A 17 21.644 7.828 -11.880 1.00 80.08 C ATOM 4 O LEU A 17 21.960 7.723 -13.065 1.00 80.01 O ATOM 5 CB LEU A 17 20.811 10.039 -11.058 1.00 80.06 C ATOM 6 CG LEU A 17 20.931 11.273 -10.158 1.00 79.94 C ATOM 7 CD1 LEU A 17 21.934 12.253 -10.749 1.00 79.90 C ATOM 8 CD2 LEU A 17 19.570 11.932 -10.019 1.00 79.86 C ATOM 9 HA LEU A 17 22.248 8.780 -10.061 1.00 0.00 H ATOM 10 HB2 LEU A 17 20.650 10.389 -12.078 1.00 0.00 H ATOM 11 HB3 LEU A 17 19.939 9.474 -10.728 1.00 0.00 H ATOM 12 HG LEU A 17 21.283 10.969 -9.172 1.00 0.00 H ATOM 13 HD21 LEU A 17 19.211 12.233 -11.003 1.00 0.00 H ATOM 14 HD22 LEU A 17 18.869 11.225 -9.576 1.00 0.00 H ATOM 15 HD23 LEU A 17 19.656 12.810 -9.379 1.00 0.00 H ATOM 16 HD11 LEU A 17 22.908 11.770 -10.828 1.00 0.00 H ATOM 17 HD12 LEU A 17 21.598 12.562 -11.739 1.00 0.00 H ATOM 18 HD13 LEU A 17 22.012 13.126 -10.101 1.00 0.00 H ATOM 19 HN3 LEU A 17 22.997 10.032 -12.644 1.00 0.00 H ATOM 20 HN2 LEU A 17 24.009 9.102 -11.645 1.00 0.00 H ATOM 21 HN1 LEU A 17 23.424 10.601 -11.101 1.00 0.00 H ATOM 22 N PRO A 18 20.974 6.861 -11.232 1.00 80.08 N ATOM 23 CA PRO A 18 20.641 5.566 -11.838 1.00 79.87 C ATOM 24 C PRO A 18 19.665 5.664 -13.009 1.00 79.70 C ATOM 25 O PRO A 18 18.981 6.673 -13.182 1.00 79.58 O ATOM 26 CB PRO A 18 20.062 4.763 -10.676 1.00 79.94 C ATOM 27 CG PRO A 18 19.542 5.791 -9.733 1.00 80.05 C ATOM 28 CD PRO A 18 20.467 6.969 -9.853 1.00 80.00 C ATOM 29 HA PRO A 18 21.517 5.101 -12.289 1.00 0.00 H ATOM 30 HD3 PRO A 18 19.929 7.905 -9.706 1.00 0.00 H ATOM 31 HD2 PRO A 18 21.281 6.902 -9.131 1.00 0.00 H ATOM 32 HG3 PRO A 18 19.548 5.407 -8.713 1.00 0.00 H ATOM 33 HG2 PRO A 18 18.526 6.077 -10.007 1.00 0.00 H ATOM 34 HB2 PRO A 18 19.257 4.113 -11.020 1.00 0.00 H ATOM 35 HB3 PRO A 18 20.836 4.160 -10.201 1.00 0.00 H ATOM 36 N GLY A 19 19.608 4.601 -13.807 1.00 79.36 N ATOM 37 CA GLY A 19 18.751 4.593 -14.980 1.00 78.60 C ATOM 38 C GLY A 19 17.274 4.607 -14.640 1.00 77.98 C ATOM 39 O GLY A 19 16.899 4.742 -13.476 1.00 78.02 O ATOM 40 HA3 GLY A 19 18.965 3.695 -15.560 1.00 0.00 H ATOM 41 HA2 GLY A 19 18.977 5.474 -15.581 1.00 0.00 H ATOM 42 H GLY A 19 20.185 3.764 -13.588 1.00 0.00 H ATOM 43 N GLU A 20 16.434 4.460 -15.660 1.00 77.19 N ATOM 44 CA GLU A 20 14.989 4.577 -15.494 1.00 75.99 C ATOM 45 C GLU A 20 14.407 3.442 -14.657 1.00 74.18 C ATOM 46 O GLU A 20 13.522 3.663 -13.831 1.00 74.66 O ATOM 47 CB GLU A 20 14.300 4.601 -16.862 1.00 77.11 C ATOM 48 CG GLU A 20 14.662 5.800 -17.725 1.00 78.67 C ATOM 49 CD GLU A 20 16.097 5.759 -18.212 1.00 79.71 C ATOM 50 OE1 GLU A 20 16.667 6.840 -18.477 1.00 80.26 O ATOM 51 OE2 GLU A 20 16.656 4.647 -18.331 1.00 80.48 O ATOM 52 HA GLU A 20 14.805 5.512 -14.964 1.00 0.00 H ATOM 53 HB2 GLU A 20 14.579 3.696 -17.401 1.00 0.00 H ATOM 54 HB3 GLU A 20 13.222 4.609 -16.701 1.00 0.00 H ATOM 55 HG2 GLU A 20 14.000 5.819 -18.591 1.00 0.00 H ATOM 56 HG3 GLU A 20 14.518 6.708 -17.139 1.00 0.00 H ATOM 57 H GLU A 20 16.818 4.255 -16.604 1.00 0.00 H ATOM 58 N GLY A 21 14.906 2.230 -14.874 1.00 71.78 N ATOM 59 CA GLY A 21 14.340 1.073 -14.205 1.00 68.21 C ATOM 60 C GLY A 21 14.916 0.825 -12.826 1.00 65.41 C ATOM 61 O GLY A 21 14.359 0.052 -12.045 1.00 65.53 O ATOM 62 HA3 GLY A 21 14.528 0.193 -14.820 1.00 0.00 H ATOM 63 HA2 GLY A 21 13.265 1.223 -14.107 1.00 0.00 H ATOM 64 H GLY A 21 15.707 2.110 -15.527 1.00 0.00 H ATOM 65 N THR A 22 16.030 1.481 -12.520 1.00 62.29 N ATOM 66 CA THR A 22 16.719 1.257 -11.254 1.00 58.66 C ATOM 67 C THR A 22 15.926 1.825 -10.082 1.00 55.58 C ATOM 68 O THR A 22 15.404 2.938 -10.153 1.00 54.90 O ATOM 69 CB THR A 22 18.114 1.905 -11.257 1.00 59.04 C ATOM 70 OG1 THR A 22 18.874 1.401 -12.363 1.00 60.31 O ATOM 71 CG2 THR A 22 18.848 1.588 -9.962 1.00 59.28 C ATOM 72 HA THR A 22 16.816 0.178 -11.139 1.00 0.00 H ATOM 73 HB THR A 22 17.998 2.985 -11.346 1.00 0.00 H ATOM 74 HG1 THR A 22 19.771 1.819 -12.363 1.00 0.00 H ATOM 75 HG23 THR A 22 18.274 1.969 -9.118 1.00 0.00 H ATOM 76 HG21 THR A 22 18.964 0.508 -9.866 1.00 0.00 H ATOM 77 HG22 THR A 22 19.830 2.060 -9.978 1.00 0.00 H ATOM 78 H THR A 22 16.419 2.168 -13.197 1.00 0.00 H ATOM 79 N GLN A 23 15.840 1.053 -9.004 1.00 52.10 N ATOM 80 CA GLN A 23 15.105 1.474 -7.820 1.00 48.59 C ATOM 81 C GLN A 23 16.031 2.111 -6.794 1.00 45.77 C ATOM 82 O GLN A 23 17.180 1.696 -6.640 1.00 45.07 O ATOM 83 CB GLN A 23 14.390 0.278 -7.188 1.00 50.29 C ATOM 84 CG GLN A 23 13.281 -0.309 -8.043 1.00 51.69 C ATOM 85 CD GLN A 23 12.328 -1.173 -7.241 1.00 53.50 C ATOM 86 OE1 GLN A 23 11.109 -1.079 -7.393 1.00 53.97 O ATOM 87 NE2 GLN A 23 12.879 -2.020 -6.377 1.00 53.42 N ATOM 88 HA GLN A 23 14.370 2.216 -8.132 1.00 0.00 H ATOM 89 HB2 GLN A 23 15.128 -0.502 -7.002 1.00 0.00 H ATOM 90 HB3 GLN A 23 13.957 0.600 -6.241 1.00 0.00 H ATOM 91 HG2 GLN A 23 12.718 0.507 -8.495 1.00 0.00 H ATOM 92 HG3 GLN A 23 13.729 -0.918 -8.828 1.00 0.00 H ATOM 93 HE22 GLN A 23 13.914 -2.066 -6.282 1.00 0.00 H ATOM 94 HE21 GLN A 23 12.275 -2.637 -5.797 1.00 0.00 H ATOM 95 H GLN A 23 16.309 0.125 -9.006 1.00 0.00 H ATOM 96 N VAL A 24 15.524 3.122 -6.095 1.00 42.13 N ATOM 97 CA VAL A 24 16.294 3.806 -5.065 1.00 38.80 C ATOM 98 C VAL A 24 15.478 3.947 -3.788 1.00 36.24 C ATOM 99 O VAL A 24 14.249 3.940 -3.821 1.00 36.82 O ATOM 100 CB VAL A 24 16.718 5.219 -5.521 1.00 38.50 C ATOM 101 CG1 VAL A 24 17.536 5.131 -6.795 1.00 39.32 C ATOM 102 CG2 VAL A 24 15.488 6.082 -5.733 1.00 38.16 C ATOM 103 HA VAL A 24 17.182 3.201 -4.881 1.00 0.00 H ATOM 104 HB VAL A 24 17.335 5.676 -4.747 1.00 0.00 H ATOM 105 HG11 VAL A 24 18.427 4.531 -6.612 1.00 0.00 H ATOM 106 HG12 VAL A 24 16.937 4.666 -7.578 1.00 0.00 H ATOM 107 HG13 VAL A 24 17.829 6.133 -7.107 1.00 0.00 H ATOM 108 HG21 VAL A 24 14.856 5.630 -6.498 1.00 0.00 H ATOM 109 HG22 VAL A 24 14.932 6.156 -4.798 1.00 0.00 H ATOM 110 HG23 VAL A 24 15.795 7.077 -6.055 1.00 0.00 H ATOM 111 H VAL A 24 14.551 3.433 -6.289 1.00 0.00 H ATOM 112 N HIS A 25 16.172 4.077 -2.665 1.00 34.61 N ATOM 113 CA HIS A 25 15.522 4.353 -1.394 1.00 33.58 C ATOM 114 C HIS A 25 15.950 5.721 -0.876 1.00 33.59 C ATOM 115 O HIS A 25 17.115 5.932 -0.539 1.00 34.02 O ATOM 116 CB HIS A 25 15.889 3.283 -0.368 1.00 33.28 C ATOM 117 CG HIS A 25 15.291 3.515 0.983 1.00 30.63 C ATOM 118 ND1 HIS A 25 13.942 3.381 1.231 1.00 32.51 N ATOM 119 CD2 HIS A 25 15.857 3.869 2.160 1.00 30.70 C ATOM 120 CE1 HIS A 25 13.703 3.642 2.503 1.00 29.73 C ATOM 121 NE2 HIS A 25 14.848 3.942 3.089 1.00 31.81 N ATOM 122 HA HIS A 25 14.443 4.345 -1.547 1.00 0.00 H ATOM 123 HB2 HIS A 25 15.542 2.318 -0.737 1.00 0.00 H ATOM 124 HB3 HIS A 25 16.974 3.262 -0.265 1.00 0.00 H ATOM 125 HD2 HIS A 25 16.915 4.060 2.338 1.00 0.00 H ATOM 126 HE1 HIS A 25 12.727 3.615 2.987 1.00 0.00 H ATOM 127 H HIS A 25 17.207 3.979 -2.694 1.00 0.00 H ATOM 128 N PRO A 26 15.007 6.672 -0.809 1.00 33.51 N ATOM 129 CA PRO A 26 15.302 8.022 -0.316 1.00 34.12 C ATOM 130 C PRO A 26 15.671 8.036 1.164 1.00 34.21 C ATOM 131 O PRO A 26 15.028 7.374 1.978 1.00 35.88 O ATOM 132 CB PRO A 26 14.008 8.796 -0.585 1.00 32.36 C ATOM 133 CG PRO A 26 13.310 8.013 -1.649 1.00 34.07 C ATOM 134 CD PRO A 26 13.650 6.578 -1.372 1.00 32.25 C ATOM 135 HA PRO A 26 16.169 8.459 -0.811 1.00 0.00 H ATOM 136 HD3 PRO A 26 12.956 6.140 -0.655 1.00 0.00 H ATOM 137 HD2 PRO A 26 13.644 5.988 -2.288 1.00 0.00 H ATOM 138 HG3 PRO A 26 13.667 8.307 -2.636 1.00 0.00 H ATOM 139 HG2 PRO A 26 12.233 8.168 -1.593 1.00 0.00 H ATOM 140 HB2 PRO A 26 13.397 8.849 0.316 1.00 0.00 H ATOM 141 HB3 PRO A 26 14.229 9.805 -0.933 1.00 0.00 H ATOM 142 N ARG A 27 16.705 8.796 1.509 1.00 34.40 N ATOM 143 CA ARG A 27 17.059 9.005 2.907 1.00 34.56 C ATOM 144 C ARG A 27 15.944 9.771 3.615 1.00 34.85 C ATOM 145 O ARG A 27 15.119 10.420 2.969 1.00 32.94 O ATOM 146 CB ARG A 27 18.375 9.778 3.010 1.00 36.76 C ATOM 147 CG ARG A 27 19.543 9.097 2.312 1.00 39.79 C ATOM 148 CD ARG A 27 20.860 9.773 2.648 1.00 41.86 C ATOM 149 NE ARG A 27 21.968 9.240 1.859 1.00 43.92 N ATOM 150 CZ ARG A 27 22.645 8.137 2.164 1.00 45.01 C ATOM 151 NH1 ARG A 27 22.329 7.440 3.247 1.00 45.43 N ATOM 152 NH2 ARG A 27 23.640 7.732 1.387 1.00 45.76 N ATOM 153 HA ARG A 27 17.186 8.035 3.388 1.00 0.00 H ATOM 154 HB2 ARG A 27 18.232 10.761 2.562 1.00 0.00 H ATOM 155 HB3 ARG A 27 18.625 9.894 4.065 1.00 0.00 H ATOM 156 HG2 ARG A 27 19.588 8.055 2.630 1.00 0.00 H ATOM 157 HG3 ARG A 27 19.387 9.141 1.234 1.00 0.00 H ATOM 158 HD2 ARG A 27 21.075 9.619 3.705 1.00 0.00 H ATOM 159 HD3 ARG A 27 20.768 10.841 2.449 1.00 0.00 H ATOM 160 HE ARG A 27 22.246 9.758 1.001 1.00 0.00 H ATOM 161 HH12 ARG A 27 22.860 6.578 3.484 1.00 0.00 H ATOM 162 HH11 ARG A 27 21.550 7.756 3.860 1.00 0.00 H ATOM 163 HH22 ARG A 27 24.169 6.869 1.627 1.00 0.00 H ATOM 164 HH21 ARG A 27 23.892 8.277 0.538 1.00 0.00 H ATOM 165 H ARG A 27 17.273 9.251 0.766 1.00 0.00 H ATOM 166 N ALA A 28 15.923 9.694 4.942 1.00 34.53 N ATOM 167 CA ALA A 28 14.783 10.172 5.718 1.00 34.42 C ATOM 168 C ALA A 28 14.341 11.601 5.385 1.00 33.89 C ATOM 169 O ALA A 28 13.152 11.857 5.200 1.00 32.89 O ATOM 170 CB ALA A 28 15.084 10.053 7.210 1.00 35.18 C ATOM 171 HA ALA A 28 13.945 9.532 5.441 1.00 0.00 H ATOM 172 HB1 ALA A 28 15.277 9.009 7.458 1.00 0.00 H ATOM 173 HB2 ALA A 28 15.961 10.653 7.451 1.00 0.00 H ATOM 174 HB3 ALA A 28 14.228 10.412 7.782 1.00 0.00 H ATOM 175 H ALA A 28 16.739 9.283 5.439 1.00 0.00 H ATOM 176 N PRO A 29 15.290 12.550 5.307 1.00 33.14 N ATOM 177 CA PRO A 29 14.918 13.948 5.053 1.00 32.02 C ATOM 178 C PRO A 29 14.198 14.131 3.720 1.00 29.03 C ATOM 179 O PRO A 29 13.252 14.913 3.618 1.00 28.96 O ATOM 180 CB PRO A 29 16.254 14.691 5.087 1.00 32.38 C ATOM 181 CG PRO A 29 17.148 13.813 5.902 1.00 34.67 C ATOM 182 CD PRO A 29 16.733 12.410 5.567 1.00 33.00 C ATOM 183 HA PRO A 29 14.207 14.323 5.789 1.00 0.00 H ATOM 184 HD3 PRO A 29 17.258 12.045 4.684 1.00 0.00 H ATOM 185 HD2 PRO A 29 16.918 11.735 6.403 1.00 0.00 H ATOM 186 HG3 PRO A 29 17.011 14.009 6.965 1.00 0.00 H ATOM 187 HG2 PRO A 29 18.192 13.977 5.635 1.00 0.00 H ATOM 188 HB2 PRO A 29 16.651 14.817 4.080 1.00 0.00 H ATOM 189 HB3 PRO A 29 16.140 15.668 5.557 1.00 0.00 H ATOM 190 N LEU A 30 14.647 13.409 2.702 1.00 28.15 N ATOM 191 CA LEU A 30 14.005 13.462 1.397 1.00 27.00 C ATOM 192 C LEU A 30 12.681 12.706 1.414 1.00 27.96 C ATOM 193 O LEU A 30 11.674 13.196 0.901 1.00 26.68 O ATOM 194 CB LEU A 30 14.930 12.878 0.325 1.00 25.35 C ATOM 195 CG LEU A 30 14.365 12.829 -1.096 1.00 25.13 C ATOM 196 CD1 LEU A 30 13.901 14.217 -1.511 1.00 25.46 C ATOM 197 CD2 LEU A 30 15.429 12.311 -2.052 1.00 25.18 C ATOM 198 HA LEU A 30 13.803 14.506 1.159 1.00 0.00 H ATOM 199 HB2 LEU A 30 15.837 13.482 0.303 1.00 0.00 H ATOM 200 HB3 LEU A 30 15.180 11.859 0.620 1.00 0.00 H ATOM 201 HG LEU A 30 13.510 12.153 -1.127 1.00 0.00 H ATOM 202 HD21 LEU A 30 16.292 12.976 -2.028 1.00 0.00 H ATOM 203 HD22 LEU A 30 15.732 11.309 -1.748 1.00 0.00 H ATOM 204 HD23 LEU A 30 15.022 12.278 -3.063 1.00 0.00 H ATOM 205 HD11 LEU A 30 13.126 14.560 -0.825 1.00 0.00 H ATOM 206 HD12 LEU A 30 14.746 14.905 -1.481 1.00 0.00 H ATOM 207 HD13 LEU A 30 13.500 14.177 -2.524 1.00 0.00 H ATOM 208 H LEU A 30 15.474 12.793 2.839 1.00 0.00 H ATOM 209 N LEU A 31 12.675 11.518 2.015 1.00 27.72 N ATOM 210 CA LEU A 31 11.449 10.731 2.101 1.00 28.98 C ATOM 211 C LEU A 31 10.336 11.538 2.757 1.00 27.50 C ATOM 212 O LEU A 31 9.179 11.467 2.344 1.00 28.27 O ATOM 213 CB LEU A 31 11.690 9.449 2.904 1.00 31.24 C ATOM 214 CG LEU A 31 10.509 8.476 2.943 1.00 33.73 C ATOM 215 CD1 LEU A 31 10.104 8.098 1.526 1.00 33.52 C ATOM 216 CD2 LEU A 31 10.893 7.238 3.738 1.00 34.30 C ATOM 217 HA LEU A 31 11.147 10.468 1.087 1.00 0.00 H ATOM 218 HB2 LEU A 31 12.541 8.930 2.464 1.00 0.00 H ATOM 219 HB3 LEU A 31 11.929 9.732 3.929 1.00 0.00 H ATOM 220 HG LEU A 31 9.659 8.955 3.430 1.00 0.00 H ATOM 221 HD21 LEU A 31 11.746 6.753 3.264 1.00 0.00 H ATOM 222 HD22 LEU A 31 11.157 7.528 4.755 1.00 0.00 H ATOM 223 HD23 LEU A 31 10.050 6.548 3.763 1.00 0.00 H ATOM 224 HD11 LEU A 31 9.813 8.996 0.981 1.00 0.00 H ATOM 225 HD12 LEU A 31 10.946 7.623 1.023 1.00 0.00 H ATOM 226 HD13 LEU A 31 9.263 7.405 1.562 1.00 0.00 H ATOM 227 H LEU A 31 13.554 11.147 2.428 1.00 0.00 H ATOM 228 N GLN A 32 10.697 12.312 3.775 1.00 28.81 N ATOM 229 CA GLN A 32 9.738 13.135 4.501 1.00 30.83 C ATOM 230 C GLN A 32 9.042 14.110 3.554 1.00 30.42 C ATOM 231 O GLN A 32 7.833 14.327 3.640 1.00 30.11 O ATOM 232 CB GLN A 32 10.455 13.913 5.607 1.00 34.81 C ATOM 233 CG GLN A 32 9.540 14.768 6.459 1.00 40.13 C ATOM 234 CD GLN A 32 8.527 13.944 7.227 1.00 43.80 C ATOM 235 OE1 GLN A 32 7.436 14.419 7.543 1.00 47.80 O ATOM 236 NE2 GLN A 32 8.884 12.701 7.535 1.00 44.82 N ATOM 237 HA GLN A 32 8.986 12.482 4.945 1.00 0.00 H ATOM 238 HB2 GLN A 32 10.958 13.197 6.257 1.00 0.00 H ATOM 239 HB3 GLN A 32 11.196 14.563 5.142 1.00 0.00 H ATOM 240 HG2 GLN A 32 10.147 15.329 7.170 1.00 0.00 H ATOM 241 HG3 GLN A 32 9.007 15.463 5.811 1.00 0.00 H ATOM 242 HE22 GLN A 32 9.816 12.341 7.247 1.00 0.00 H ATOM 243 HE21 GLN A 32 8.231 12.088 8.064 1.00 0.00 H ATOM 244 H GLN A 32 11.696 12.331 4.063 1.00 0.00 H ATOM 245 N ILE A 33 9.819 14.694 2.649 1.00 27.99 N ATOM 246 CA ILE A 33 9.283 15.636 1.676 1.00 26.26 C ATOM 247 C ILE A 33 8.382 14.933 0.668 1.00 24.78 C ATOM 248 O ILE A 33 7.320 15.442 0.310 1.00 25.03 O ATOM 249 CB ILE A 33 10.429 16.360 0.937 1.00 24.11 C ATOM 250 CG1 ILE A 33 11.095 17.353 1.888 1.00 26.15 C ATOM 251 CG2 ILE A 33 9.899 17.060 -0.306 1.00 24.28 C ATOM 252 CD1 ILE A 33 12.376 17.936 1.362 1.00 26.86 C ATOM 253 HA ILE A 33 8.687 16.370 2.218 1.00 0.00 H ATOM 254 HB ILE A 33 11.173 15.632 0.614 1.00 0.00 H ATOM 255 HG12 ILE A 33 10.398 18.170 2.075 1.00 0.00 H ATOM 256 HG13 ILE A 33 11.311 16.839 2.825 1.00 0.00 H ATOM 257 HD11 ILE A 33 13.091 17.134 1.180 1.00 0.00 H ATOM 258 HD12 ILE A 33 12.177 18.465 0.430 1.00 0.00 H ATOM 259 HD13 ILE A 33 12.786 18.630 2.095 1.00 0.00 H ATOM 260 HG21 ILE A 33 9.454 16.323 -0.975 1.00 0.00 H ATOM 261 HG22 ILE A 33 9.145 17.791 -0.016 1.00 0.00 H ATOM 262 HG23 ILE A 33 10.720 17.565 -0.815 1.00 0.00 H ATOM 263 H ILE A 33 10.835 14.473 2.635 1.00 0.00 H ATOM 264 N LEU A 34 8.798 13.755 0.217 1.00 25.59 N ATOM 265 CA LEU A 34 7.990 12.999 -0.727 1.00 25.05 C ATOM 266 C LEU A 34 6.673 12.582 -0.071 1.00 26.18 C ATOM 267 O LEU A 34 5.641 12.507 -0.736 1.00 26.04 O ATOM 268 CB LEU A 34 8.754 11.763 -1.210 1.00 26.90 C ATOM 269 CG LEU A 34 10.122 12.033 -1.846 1.00 26.70 C ATOM 270 CD1 LEU A 34 10.729 10.722 -2.329 1.00 28.30 C ATOM 271 CD2 LEU A 34 9.976 13.010 -3.005 1.00 26.55 C ATOM 272 HA LEU A 34 7.772 13.631 -1.588 1.00 0.00 H ATOM 273 HB2 LEU A 34 8.907 11.107 -0.353 1.00 0.00 H ATOM 274 HB3 LEU A 34 8.135 11.254 -1.949 1.00 0.00 H ATOM 275 HG LEU A 34 10.784 12.476 -1.102 1.00 0.00 H ATOM 276 HD21 LEU A 34 9.309 12.585 -3.755 1.00 0.00 H ATOM 277 HD22 LEU A 34 9.560 13.948 -2.638 1.00 0.00 H ATOM 278 HD23 LEU A 34 10.954 13.194 -3.449 1.00 0.00 H ATOM 279 HD11 LEU A 34 10.850 10.045 -1.483 1.00 0.00 H ATOM 280 HD12 LEU A 34 10.069 10.268 -3.068 1.00 0.00 H ATOM 281 HD13 LEU A 34 11.702 10.918 -2.781 1.00 0.00 H ATOM 282 H LEU A 34 9.708 13.370 0.541 1.00 0.00 H ATOM 283 N LYS A 35 6.718 12.320 1.234 1.00 28.62 N ATOM 284 CA LYS A 35 5.522 11.953 1.994 1.00 30.63 C ATOM 285 C LYS A 35 4.499 13.086 2.025 1.00 29.95 C ATOM 286 O LYS A 35 3.300 12.858 1.863 1.00 31.14 O ATOM 287 CB LYS A 35 5.896 11.579 3.433 1.00 32.72 C ATOM 288 CG LYS A 35 6.702 10.300 3.559 1.00 37.27 C ATOM 289 CD LYS A 35 5.969 9.131 2.928 1.00 39.50 C ATOM 290 CE LYS A 35 6.800 7.861 2.979 1.00 41.82 C ATOM 291 NZ LYS A 35 6.162 6.769 2.197 1.00 41.68 N ATOM 292 HA LYS A 35 5.075 11.096 1.491 1.00 0.00 H ATOM 293 HB2 LYS A 35 6.482 12.395 3.856 1.00 0.00 H ATOM 294 HB3 LYS A 35 4.976 11.460 4.005 1.00 0.00 H ATOM 295 HG2 LYS A 35 7.661 10.432 3.058 1.00 0.00 H ATOM 296 HG3 LYS A 35 6.871 10.087 4.615 1.00 0.00 H ATOM 297 HD2 LYS A 35 5.035 8.966 3.466 1.00 0.00 H ATOM 298 HD3 LYS A 35 5.750 9.370 1.887 1.00 0.00 H ATOM 299 HE2 LYS A 35 6.901 7.543 4.017 1.00 0.00 H ATOM 300 HE3 LYS A 35 7.787 8.065 2.565 1.00 0.00 H ATOM 301 HZ1 LYS A 35 5.221 6.566 2.591 1.00 0.00 H ATOM 302 HZ2 LYS A 35 6.067 7.065 1.204 1.00 0.00 H ATOM 303 HZ3 LYS A 35 6.753 5.915 2.251 1.00 0.00 H ATOM 304 H LYS A 35 7.631 12.378 1.728 1.00 0.00 H ATOM 305 N VAL A 36 4.975 14.307 2.246 1.00 29.92 N ATOM 306 CA VAL A 36 4.105 15.476 2.220 1.00 29.16 C ATOM 307 C VAL A 36 3.408 15.580 0.869 1.00 29.32 C ATOM 308 O VAL A 36 2.244 15.980 0.785 1.00 30.00 O ATOM 309 CB VAL A 36 4.907 16.769 2.482 1.00 28.74 C ATOM 310 CG1 VAL A 36 4.024 17.985 2.270 1.00 30.75 C ATOM 311 CG2 VAL A 36 5.458 16.758 3.905 1.00 29.94 C ATOM 312 HA VAL A 36 3.362 15.359 3.009 1.00 0.00 H ATOM 313 HB VAL A 36 5.740 16.818 1.781 1.00 0.00 H ATOM 314 HG11 VAL A 36 3.659 17.993 1.243 1.00 0.00 H ATOM 315 HG12 VAL A 36 3.179 17.943 2.957 1.00 0.00 H ATOM 316 HG13 VAL A 36 4.602 18.890 2.458 1.00 0.00 H ATOM 317 HG21 VAL A 36 4.631 16.697 4.613 1.00 0.00 H ATOM 318 HG22 VAL A 36 6.112 15.896 4.033 1.00 0.00 H ATOM 319 HG23 VAL A 36 6.022 17.674 4.082 1.00 0.00 H ATOM 320 H VAL A 36 5.989 14.431 2.441 1.00 0.00 H ATOM 321 N ALA A 37 4.123 15.199 -0.185 1.00 28.24 N ATOM 322 CA ALA A 37 3.605 15.275 -1.543 1.00 28.78 C ATOM 323 C ALA A 37 2.642 14.129 -1.840 1.00 30.49 C ATOM 324 O ALA A 37 2.016 14.093 -2.897 1.00 31.40 O ATOM 325 CB ALA A 37 4.761 15.263 -2.541 1.00 27.98 C ATOM 326 HA ALA A 37 3.051 16.208 -1.641 1.00 0.00 H ATOM 327 HB1 ALA A 37 5.409 16.119 -2.354 1.00 0.00 H ATOM 328 HB2 ALA A 37 5.331 14.341 -2.424 1.00 0.00 H ATOM 329 HB3 ALA A 37 4.365 15.320 -3.555 1.00 0.00 H ATOM 330 H ALA A 37 5.085 14.834 -0.034 1.00 0.00 H ATOM 331 N GLY A 38 2.534 13.189 -0.905 1.00 32.01 N ATOM 332 CA GLY A 38 1.537 12.140 -1.025 1.00 34.11 C ATOM 333 C GLY A 38 2.110 10.770 -1.337 1.00 35.42 C ATOM 334 O GLY A 38 1.364 9.828 -1.605 1.00 35.85 O ATOM 335 HA3 GLY A 38 0.848 12.413 -1.824 1.00 0.00 H ATOM 336 HA2 GLY A 38 0.992 12.077 -0.083 1.00 0.00 H ATOM 337 H GLY A 38 3.169 13.205 -0.081 1.00 0.00 H ATOM 338 N ALA A 39 3.434 10.652 -1.304 1.00 35.69 N ATOM 339 CA ALA A 39 4.090 9.386 -1.610 1.00 37.66 C ATOM 340 C ALA A 39 3.816 8.359 -0.520 1.00 39.73 C ATOM 341 O ALA A 39 4.013 8.629 0.666 1.00 38.42 O ATOM 342 CB ALA A 39 5.591 9.597 -1.760 1.00 36.97 C ATOM 343 HA ALA A 39 3.686 9.009 -2.550 1.00 0.00 H ATOM 344 HB1 ALA A 39 5.778 10.302 -2.570 1.00 0.00 H ATOM 345 HB2 ALA A 39 5.996 9.994 -0.829 1.00 0.00 H ATOM 346 HB3 ALA A 39 6.069 8.645 -1.988 1.00 0.00 H ATOM 347 H ALA A 39 4.013 11.479 -1.055 1.00 0.00 H ATOM 348 N GLN A 40 3.365 7.180 -0.934 1.00 43.17 N ATOM 349 CA GLN A 40 3.077 6.090 -0.010 1.00 46.55 C ATOM 350 C GLN A 40 4.248 5.115 0.040 1.00 47.86 C ATOM 351 O GLN A 40 4.439 4.406 1.028 1.00 48.80 O ATOM 352 CB GLN A 40 1.815 5.347 -0.454 1.00 48.42 C ATOM 353 CG GLN A 40 0.583 6.222 -0.563 1.00 51.42 C ATOM 354 CD GLN A 40 0.143 6.770 0.778 1.00 52.98 C ATOM 355 OE1 GLN A 40 -0.217 6.015 1.682 1.00 54.42 O ATOM 356 NE2 GLN A 40 0.172 8.091 0.916 1.00 53.53 N ATOM 357 HA GLN A 40 2.920 6.510 0.983 1.00 0.00 H ATOM 358 HB2 GLN A 40 2.006 4.902 -1.431 1.00 0.00 H ATOM 359 HB3 GLN A 40 1.611 4.558 0.269 1.00 0.00 H ATOM 360 HG2 GLN A 40 0.804 7.057 -1.227 1.00 0.00 H ATOM 361 HG3 GLN A 40 -0.230 5.631 -0.984 1.00 0.00 H ATOM 362 HE22 GLN A 40 0.483 8.690 0.125 1.00 0.00 H ATOM 363 HE21 GLN A 40 -0.117 8.526 1.815 1.00 0.00 H ATOM 364 H GLN A 40 3.212 7.030 -1.952 1.00 0.00 H ATOM 365 N GLU A 41 5.029 5.090 -1.034 1.00 48.54 N ATOM 366 CA GLU A 41 6.072 4.089 -1.210 1.00 49.09 C ATOM 367 C GLU A 41 7.312 4.395 -0.378 1.00 48.48 C ATOM 368 O GLU A 41 7.461 5.495 0.158 1.00 48.47 O ATOM 369 CB GLU A 41 6.463 3.996 -2.688 1.00 51.47 C ATOM 370 CG GLU A 41 5.283 3.987 -3.650 1.00 53.76 C ATOM 371 CD GLU A 41 4.881 5.383 -4.099 1.00 55.00 C ATOM 372 OE1 GLU A 41 4.367 6.159 -3.266 1.00 55.35 O ATOM 373 OE2 GLU A 41 5.082 5.705 -5.289 1.00 56.01 O ATOM 374 HA GLU A 41 5.666 3.137 -0.867 1.00 0.00 H ATOM 375 HB2 GLU A 41 7.093 4.852 -2.929 1.00 0.00 H ATOM 376 HB3 GLU A 41 7.030 3.076 -2.834 1.00 0.00 H ATOM 377 HG2 GLU A 41 5.554 3.402 -4.529 1.00 0.00 H ATOM 378 HG3 GLU A 41 4.432 3.521 -3.154 1.00 0.00 H ATOM 379 H GLU A 41 4.891 5.808 -1.773 1.00 0.00 H ATOM 380 N GLU A 42 8.195 3.407 -0.271 1.00 47.27 N ATOM 381 CA GLU A 42 9.487 3.583 0.379 1.00 46.06 C ATOM 382 C GLU A 42 10.603 3.429 -0.647 1.00 44.60 C ATOM 383 O GLU A 42 11.710 3.928 -0.458 1.00 44.01 O ATOM 384 CB GLU A 42 9.663 2.548 1.492 1.00 47.72 C ATOM 385 CG GLU A 42 8.788 2.786 2.708 1.00 49.26 C ATOM 386 CD GLU A 42 9.482 3.620 3.767 1.00 51.01 C ATOM 387 OE1 GLU A 42 8.778 4.255 4.581 1.00 51.59 O ATOM 388 OE2 GLU A 42 10.731 3.638 3.786 1.00 50.63 O ATOM 389 HA GLU A 42 9.531 4.581 0.815 1.00 0.00 H ATOM 390 HB2 GLU A 42 9.424 1.565 1.086 1.00 0.00 H ATOM 391 HB3 GLU A 42 10.705 2.564 1.812 1.00 0.00 H ATOM 392 HG2 GLU A 42 7.883 3.304 2.392 1.00 0.00 H ATOM 393 HG3 GLU A 42 8.521 1.822 3.141 1.00 0.00 H ATOM 394 H GLU A 42 7.955 2.475 -0.665 1.00 0.00 H ATOM 395 N VAL A 43 10.302 2.724 -1.732 1.00 43.77 N ATOM 396 CA VAL A 43 11.255 2.529 -2.815 1.00 42.84 C ATOM 397 C VAL A 43 10.702 3.110 -4.111 1.00 41.92 C ATOM 398 O VAL A 43 9.554 2.858 -4.478 1.00 42.05 O ATOM 399 CB VAL A 43 11.558 1.031 -3.024 1.00 42.92 C ATOM 400 CG1 VAL A 43 12.494 0.846 -4.205 1.00 43.37 C ATOM 401 CG2 VAL A 43 12.177 0.454 -1.764 1.00 42.75 C ATOM 402 HA VAL A 43 12.178 3.041 -2.543 1.00 0.00 H ATOM 403 HB VAL A 43 10.628 0.504 -3.235 1.00 0.00 H ATOM 404 HG11 VAL A 43 12.025 1.245 -5.105 1.00 0.00 H ATOM 405 HG12 VAL A 43 13.427 1.376 -4.014 1.00 0.00 H ATOM 406 HG13 VAL A 43 12.700 -0.216 -4.341 1.00 0.00 H ATOM 407 HG21 VAL A 43 13.103 0.983 -1.541 1.00 0.00 H ATOM 408 HG22 VAL A 43 11.481 0.570 -0.933 1.00 0.00 H ATOM 409 HG23 VAL A 43 12.389 -0.604 -1.917 1.00 0.00 H ATOM 410 H VAL A 43 9.356 2.298 -1.810 1.00 0.00 H ATOM 411 N PHE A 44 11.525 3.892 -4.801 1.00 40.88 N ATOM 412 CA PHE A 44 11.078 4.614 -5.986 1.00 39.20 C ATOM 413 C PHE A 44 12.043 4.400 -7.144 1.00 39.12 C ATOM 414 O PHE A 44 13.166 3.935 -6.954 1.00 39.94 O ATOM 415 CB PHE A 44 10.996 6.116 -5.697 1.00 37.87 C ATOM 416 CG PHE A 44 10.219 6.466 -4.458 1.00 36.10 C ATOM 417 CD1 PHE A 44 8.953 7.023 -4.553 1.00 36.66 C ATOM 418 CD2 PHE A 44 10.768 6.277 -3.201 1.00 35.52 C ATOM 419 CE1 PHE A 44 8.251 7.386 -3.416 1.00 35.91 C ATOM 420 CE2 PHE A 44 10.072 6.637 -2.061 1.00 34.76 C ATOM 421 CZ PHE A 44 8.812 7.193 -2.168 1.00 35.33 C ATOM 422 HA PHE A 44 10.093 4.231 -6.254 1.00 0.00 H ATOM 423 HB2 PHE A 44 12.011 6.498 -5.583 1.00 0.00 H ATOM 424 HB3 PHE A 44 10.519 6.602 -6.548 1.00 0.00 H ATOM 425 HD2 PHE A 44 11.762 5.839 -3.109 1.00 0.00 H ATOM 426 HE2 PHE A 44 10.518 6.482 -1.078 1.00 0.00 H ATOM 427 HZ PHE A 44 8.262 7.478 -1.271 1.00 0.00 H ATOM 428 HE1 PHE A 44 7.257 7.824 -3.505 1.00 0.00 H ATOM 429 HD1 PHE A 44 8.505 7.177 -5.535 1.00 0.00 H ATOM 430 H PHE A 44 12.512 3.992 -4.488 1.00 0.00 H ATOM 431 N THR A 45 11.599 4.749 -8.345 1.00 39.04 N ATOM 432 CA THR A 45 12.521 5.061 -9.427 1.00 39.74 C ATOM 433 C THR A 45 12.851 6.548 -9.325 1.00 39.34 C ATOM 434 O THR A 45 12.128 7.303 -8.674 1.00 38.96 O ATOM 435 CB THR A 45 11.888 4.792 -10.803 1.00 41.09 C ATOM 436 OG1 THR A 45 10.742 5.635 -10.976 1.00 42.26 O ATOM 437 CG2 THR A 45 11.464 3.334 -10.918 1.00 42.15 C ATOM 438 HA THR A 45 13.409 4.435 -9.337 1.00 0.00 H ATOM 439 HB THR A 45 12.626 5.007 -11.576 1.00 0.00 H ATOM 440 HG1 THR A 45 10.336 5.460 -11.862 1.00 0.00 H ATOM 441 HG23 THR A 45 12.335 2.692 -10.787 1.00 0.00 H ATOM 442 HG21 THR A 45 10.726 3.110 -10.148 1.00 0.00 H ATOM 443 HG22 THR A 45 11.028 3.160 -11.902 1.00 0.00 H ATOM 444 H THR A 45 10.574 4.800 -8.516 1.00 0.00 H ATOM 445 N VAL A 46 13.936 6.966 -9.965 1.00 39.01 N ATOM 446 CA VAL A 46 14.327 8.371 -9.952 1.00 39.44 C ATOM 447 C VAL A 46 13.221 9.261 -10.507 1.00 39.61 C ATOM 448 O VAL A 46 12.962 10.345 -9.982 1.00 38.67 O ATOM 449 CB VAL A 46 15.612 8.599 -10.772 1.00 38.79 C ATOM 450 CG1 VAL A 46 15.895 10.087 -10.898 1.00 39.34 C ATOM 451 CG2 VAL A 46 16.782 7.905 -10.096 1.00 39.43 C ATOM 452 HA VAL A 46 14.511 8.637 -8.911 1.00 0.00 H ATOM 453 HB VAL A 46 15.475 8.182 -11.770 1.00 0.00 H ATOM 454 HG11 VAL A 46 15.059 10.573 -11.400 1.00 0.00 H ATOM 455 HG12 VAL A 46 16.023 10.517 -9.904 1.00 0.00 H ATOM 456 HG13 VAL A 46 16.805 10.234 -11.479 1.00 0.00 H ATOM 457 HG21 VAL A 46 16.915 8.313 -9.094 1.00 0.00 H ATOM 458 HG22 VAL A 46 16.580 6.836 -10.030 1.00 0.00 H ATOM 459 HG23 VAL A 46 17.687 8.070 -10.680 1.00 0.00 H ATOM 460 H VAL A 46 14.518 6.279 -10.485 1.00 0.00 H ATOM 461 N LYS A 47 12.563 8.798 -11.565 1.00 39.55 N ATOM 462 CA LYS A 47 11.495 9.568 -12.191 1.00 39.79 C ATOM 463 C LYS A 47 10.321 9.762 -11.233 1.00 38.70 C ATOM 464 O LYS A 47 9.690 10.819 -11.219 1.00 38.01 O ATOM 465 CB LYS A 47 11.014 8.866 -13.464 1.00 41.77 C ATOM 466 CG LYS A 47 10.017 9.675 -14.280 1.00 43.70 C ATOM 467 CD LYS A 47 9.712 8.996 -15.607 1.00 46.13 C ATOM 468 CE LYS A 47 8.825 9.861 -16.489 1.00 46.70 C ATOM 469 NZ LYS A 47 8.560 9.212 -17.807 1.00 48.47 N ATOM 470 HA LYS A 47 11.895 10.549 -12.448 1.00 0.00 H ATOM 471 HB2 LYS A 47 11.882 8.660 -14.090 1.00 0.00 H ATOM 472 HB3 LYS A 47 10.541 7.926 -13.179 1.00 0.00 H ATOM 473 HG2 LYS A 47 9.092 9.777 -13.712 1.00 0.00 H ATOM 474 HG3 LYS A 47 10.434 10.663 -14.474 1.00 0.00 H ATOM 475 HD2 LYS A 47 10.649 8.803 -16.129 1.00 0.00 H ATOM 476 HD3 LYS A 47 9.204 8.051 -15.413 1.00 0.00 H ATOM 477 HE2 LYS A 47 9.319 10.818 -16.658 1.00 0.00 H ATOM 478 HE3 LYS A 47 7.876 10.029 -15.980 1.00 0.00 H ATOM 479 HZ1 LYS A 47 9.461 9.054 -18.302 1.00 0.00 H ATOM 480 HZ2 LYS A 47 8.083 8.301 -17.654 1.00 0.00 H ATOM 481 HZ3 LYS A 47 7.952 9.831 -18.381 1.00 0.00 H ATOM 482 H LYS A 47 12.815 7.867 -11.954 1.00 0.00 H ATOM 483 N GLU A 48 10.034 8.741 -10.430 1.00 37.11 N ATOM 484 CA GLU A 48 8.966 8.830 -9.441 1.00 35.82 C ATOM 485 C GLU A 48 9.316 9.836 -8.352 1.00 33.22 C ATOM 486 O GLU A 48 8.459 10.588 -7.889 1.00 32.72 O ATOM 487 CB GLU A 48 8.714 7.463 -8.803 1.00 37.59 C ATOM 488 CG GLU A 48 8.095 6.443 -9.741 1.00 41.12 C ATOM 489 CD GLU A 48 7.848 5.110 -9.063 1.00 42.87 C ATOM 490 OE1 GLU A 48 8.619 4.757 -8.145 1.00 43.32 O ATOM 491 OE2 GLU A 48 6.882 4.416 -9.447 1.00 45.17 O ATOM 492 HA GLU A 48 8.064 9.163 -9.954 1.00 0.00 H ATOM 493 HB2 GLU A 48 9.667 7.069 -8.450 1.00 0.00 H ATOM 494 HB3 GLU A 48 8.043 7.600 -7.955 1.00 0.00 H ATOM 495 HG2 GLU A 48 7.144 6.833 -10.104 1.00 0.00 H ATOM 496 HG3 GLU A 48 8.769 6.288 -10.584 1.00 0.00 H ATOM 497 H GLU A 48 10.583 7.861 -10.509 1.00 0.00 H ATOM 498 N VAL A 49 10.578 9.837 -7.938 1.00 30.96 N ATOM 499 CA VAL A 49 11.052 10.810 -6.963 1.00 29.93 C ATOM 500 C VAL A 49 10.860 12.214 -7.528 1.00 28.92 C ATOM 501 O VAL A 49 10.416 13.123 -6.825 1.00 26.96 O ATOM 502 CB VAL A 49 12.545 10.601 -6.640 1.00 28.37 C ATOM 503 CG1 VAL A 49 13.051 11.734 -5.760 1.00 28.55 C ATOM 504 CG2 VAL A 49 12.744 9.265 -5.933 1.00 29.21 C ATOM 505 HA VAL A 49 10.480 10.681 -6.044 1.00 0.00 H ATOM 506 HB VAL A 49 13.110 10.596 -7.572 1.00 0.00 H ATOM 507 HG11 VAL A 49 12.926 12.682 -6.283 1.00 0.00 H ATOM 508 HG12 VAL A 49 12.482 11.753 -4.831 1.00 0.00 H ATOM 509 HG13 VAL A 49 14.106 11.576 -5.538 1.00 0.00 H ATOM 510 HG21 VAL A 49 12.171 9.257 -5.005 1.00 0.00 H ATOM 511 HG22 VAL A 49 12.400 8.458 -6.580 1.00 0.00 H ATOM 512 HG23 VAL A 49 13.802 9.128 -5.710 1.00 0.00 H ATOM 513 H VAL A 49 11.240 9.130 -8.317 1.00 0.00 H ATOM 514 N MET A 50 11.183 12.378 -8.806 1.00 28.74 N ATOM 515 CA MET A 50 11.068 13.677 -9.461 1.00 29.94 C ATOM 516 C MET A 50 9.616 14.119 -9.568 1.00 29.16 C ATOM 517 O MET A 50 9.306 15.305 -9.441 1.00 27.97 O ATOM 518 CB MET A 50 11.695 13.616 -10.855 1.00 32.17 C ATOM 519 CG MET A 50 13.189 13.369 -10.840 1.00 34.67 C ATOM 520 SD MET A 50 14.067 14.718 -10.043 1.00 39.30 S ATOM 521 CE MET A 50 13.255 16.069 -10.776 1.00 37.44 C ATOM 522 HA MET A 50 11.600 14.408 -8.852 1.00 0.00 H ATOM 523 HB2 MET A 50 11.218 12.810 -11.412 1.00 0.00 H ATOM 524 HB3 MET A 50 11.508 14.564 -11.359 1.00 0.00 H ATOM 525 HG2 MET A 50 13.543 13.272 -11.866 1.00 0.00 H ATOM 526 HG3 MET A 50 13.391 12.445 -10.298 1.00 0.00 H ATOM 527 HE1 MET A 50 13.388 16.028 -11.857 1.00 0.00 H ATOM 528 HE2 MET A 50 12.192 16.026 -10.537 1.00 0.00 H ATOM 529 HE3 MET A 50 13.678 16.997 -10.392 1.00 0.00 H ATOM 530 H MET A 50 11.526 11.562 -9.352 1.00 0.00 H ATOM 531 N HIS A 51 8.722 13.163 -9.800 1.00 28.47 N ATOM 532 CA HIS A 51 7.301 13.464 -9.859 1.00 29.50 C ATOM 533 C HIS A 51 6.815 14.024 -8.527 1.00 27.58 C ATOM 534 O HIS A 51 6.091 15.017 -8.489 1.00 26.24 O ATOM 535 CB HIS A 51 6.499 12.204 -10.205 1.00 33.13 C ATOM 536 CG HIS A 51 5.017 12.387 -10.091 1.00 36.98 C ATOM 537 ND1 HIS A 51 4.262 12.976 -11.082 1.00 38.42 N ATOM 538 CD2 HIS A 51 4.154 12.075 -9.095 1.00 39.01 C ATOM 539 CE1 HIS A 51 2.997 13.021 -10.701 1.00 39.16 C ATOM 540 NE2 HIS A 51 2.905 12.481 -9.499 1.00 39.96 N ATOM 541 HA HIS A 51 7.148 14.212 -10.637 1.00 0.00 H ATOM 542 HB2 HIS A 51 6.733 11.917 -11.230 1.00 0.00 H ATOM 543 HB3 HIS A 51 6.801 11.406 -9.527 1.00 0.00 H ATOM 544 HD2 HIS A 51 4.403 11.592 -8.150 1.00 0.00 H ATOM 545 HE1 HIS A 51 2.171 13.433 -11.280 1.00 0.00 H ATOM 546 H HIS A 51 9.044 12.184 -9.942 1.00 0.00 H ATOM 547 N TYR A 52 7.216 13.387 -7.432 1.00 26.25 N ATOM 548 CA TYR A 52 6.762 13.821 -6.117 1.00 25.59 C ATOM 549 C TYR A 52 7.379 15.148 -5.682 1.00 23.71 C ATOM 550 O TYR A 52 6.732 15.936 -4.993 1.00 22.07 O ATOM 551 CB TYR A 52 7.044 12.739 -5.071 1.00 26.81 C ATOM 552 CG TYR A 52 6.042 11.607 -5.109 1.00 30.39 C ATOM 553 CD1 TYR A 52 4.714 11.820 -4.757 1.00 32.04 C ATOM 554 CD2 TYR A 52 6.416 10.333 -5.514 1.00 32.35 C ATOM 555 CE1 TYR A 52 3.786 10.794 -4.811 1.00 34.80 C ATOM 556 CE2 TYR A 52 5.497 9.302 -5.571 1.00 34.41 C ATOM 557 CZ TYR A 52 4.185 9.538 -5.219 1.00 35.32 C ATOM 558 OH TYR A 52 3.267 8.515 -5.278 1.00 36.49 O ATOM 559 HA TYR A 52 5.687 13.983 -6.196 1.00 0.00 H ATOM 560 HB3 TYR A 52 7.016 13.196 -4.082 1.00 0.00 H ATOM 561 HB2 TYR A 52 8.038 12.330 -5.253 1.00 0.00 H ATOM 562 HD2 TYR A 52 7.453 10.142 -5.792 1.00 0.00 H ATOM 563 HE2 TYR A 52 5.808 8.308 -5.892 1.00 0.00 H ATOM 564 HE1 TYR A 52 2.748 10.977 -4.533 1.00 0.00 H ATOM 565 HD1 TYR A 52 4.398 12.812 -4.433 1.00 0.00 H ATOM 566 HH TYR A 52 3.551 7.783 -4.675 1.00 0.00 H ATOM 567 H TYR A 52 7.858 12.573 -7.514 1.00 0.00 H ATOM 568 N LEU A 53 8.620 15.403 -6.086 1.00 23.31 N ATOM 569 CA LEU A 53 9.242 16.695 -5.795 1.00 21.81 C ATOM 570 C LEU A 53 8.499 17.817 -6.509 1.00 21.28 C ATOM 571 O LEU A 53 8.300 18.893 -5.949 1.00 18.62 O ATOM 572 CB LEU A 53 10.712 16.705 -6.228 1.00 21.43 C ATOM 573 CG LEU A 53 11.689 15.926 -5.354 1.00 23.31 C ATOM 574 CD1 LEU A 53 13.085 16.005 -5.953 1.00 21.89 C ATOM 575 CD2 LEU A 53 11.678 16.494 -3.944 1.00 24.99 C ATOM 576 HA LEU A 53 9.189 16.854 -4.718 1.00 0.00 H ATOM 577 HB2 LEU A 53 10.763 16.288 -7.234 1.00 0.00 H ATOM 578 HB3 LEU A 53 11.043 17.743 -6.249 1.00 0.00 H ATOM 579 HG LEU A 53 11.387 14.879 -5.310 1.00 0.00 H ATOM 580 HD21 LEU A 53 11.975 17.542 -3.974 1.00 0.00 H ATOM 581 HD22 LEU A 53 10.674 16.411 -3.528 1.00 0.00 H ATOM 582 HD23 LEU A 53 12.377 15.935 -3.323 1.00 0.00 H ATOM 583 HD11 LEU A 53 13.074 15.576 -6.955 1.00 0.00 H ATOM 584 HD12 LEU A 53 13.398 17.048 -6.006 1.00 0.00 H ATOM 585 HD13 LEU A 53 13.780 15.447 -5.326 1.00 0.00 H ATOM 586 H LEU A 53 9.151 14.680 -6.612 1.00 0.00 H ATOM 587 N GLY A 54 8.094 17.563 -7.751 1.00 20.71 N ATOM 588 CA GLY A 54 7.326 18.550 -8.485 1.00 20.38 C ATOM 589 C GLY A 54 5.981 18.798 -7.829 1.00 20.00 C ATOM 590 O GLY A 54 5.542 19.941 -7.708 1.00 17.35 O ATOM 591 HA3 GLY A 54 7.165 18.191 -9.502 1.00 0.00 H ATOM 592 HA2 GLY A 54 7.885 19.485 -8.515 1.00 0.00 H ATOM 593 H GLY A 54 8.329 16.653 -8.197 1.00 0.00 H ATOM 594 N GLN A 55 5.331 17.717 -7.403 1.00 19.79 N ATOM 595 CA GLN A 55 4.092 17.810 -6.637 1.00 20.69 C ATOM 596 C GLN A 55 4.305 18.662 -5.391 1.00 17.07 C ATOM 597 O GLN A 55 3.484 19.511 -5.065 1.00 18.06 O ATOM 598 CB GLN A 55 3.627 16.413 -6.215 1.00 24.38 C ATOM 599 CG GLN A 55 3.285 15.496 -7.371 1.00 32.18 C ATOM 600 CD GLN A 55 2.008 15.906 -8.074 1.00 33.81 C ATOM 601 OE1 GLN A 55 1.683 15.395 -9.148 1.00 40.12 O ATOM 602 NE2 GLN A 55 1.274 16.832 -7.471 1.00 36.37 N ATOM 603 HA GLN A 55 3.332 18.272 -7.267 1.00 0.00 H ATOM 604 HB2 GLN A 55 4.424 15.948 -5.634 1.00 0.00 H ATOM 605 HB3 GLN A 55 2.740 16.522 -5.591 1.00 0.00 H ATOM 606 HG2 GLN A 55 4.104 15.518 -8.090 1.00 0.00 H ATOM 607 HG3 GLN A 55 3.165 14.482 -6.990 1.00 0.00 H ATOM 608 HE22 GLN A 55 1.587 17.236 -6.565 1.00 0.00 H ATOM 609 HE21 GLN A 55 0.385 17.154 -7.904 1.00 0.00 H ATOM 610 H GLN A 55 5.718 16.777 -7.623 1.00 0.00 H ATOM 611 N TYR A 56 5.410 18.426 -4.695 1.00 17.48 N ATOM 612 CA TYR A 56 5.686 19.132 -3.447 1.00 16.83 C ATOM 613 C TYR A 56 5.829 20.635 -3.691 1.00 15.55 C ATOM 614 O TYR A 56 5.218 21.445 -3.001 1.00 13.73 O ATOM 615 CB TYR A 56 6.968 18.574 -2.815 1.00 15.66 C ATOM 616 CG TYR A 56 7.399 19.273 -1.549 1.00 18.01 C ATOM 617 CD1 TYR A 56 6.921 18.862 -0.309 1.00 17.51 C ATOM 618 CD2 TYR A 56 8.299 20.332 -1.588 1.00 16.82 C ATOM 619 CE1 TYR A 56 7.327 19.482 0.849 1.00 18.85 C ATOM 620 CE2 TYR A 56 8.711 20.959 -0.432 1.00 17.95 C ATOM 621 CZ TYR A 56 8.222 20.528 0.786 1.00 18.11 C ATOM 622 OH TYR A 56 8.639 21.136 1.947 1.00 22.29 O ATOM 623 HA TYR A 56 4.849 18.979 -2.766 1.00 0.00 H ATOM 624 HB3 TYR A 56 7.773 18.663 -3.544 1.00 0.00 H ATOM 625 HB2 TYR A 56 6.803 17.522 -2.584 1.00 0.00 H ATOM 626 HD2 TYR A 56 8.685 20.672 -2.549 1.00 0.00 H ATOM 627 HE2 TYR A 56 9.417 21.788 -0.478 1.00 0.00 H ATOM 628 HE1 TYR A 56 6.943 19.148 1.813 1.00 0.00 H ATOM 629 HD1 TYR A 56 6.213 18.035 -0.255 1.00 0.00 H ATOM 630 HH TYR A 56 8.401 22.097 1.919 1.00 0.00 H ATOM 631 H TYR A 56 6.093 17.724 -5.045 1.00 0.00 H ATOM 632 N ILE A 57 6.642 21.003 -4.677 1.00 14.78 N ATOM 633 CA ILE A 57 6.867 22.414 -4.993 1.00 12.90 C ATOM 634 C ILE A 57 5.568 23.089 -5.417 1.00 14.71 C ATOM 635 O ILE A 57 5.305 24.244 -5.077 1.00 13.13 O ATOM 636 CB ILE A 57 7.908 22.553 -6.123 1.00 13.27 C ATOM 637 CG1 ILE A 57 9.268 22.081 -5.605 1.00 15.92 C ATOM 638 CG2 ILE A 57 7.967 24.003 -6.619 1.00 14.21 C ATOM 639 CD1 ILE A 57 10.300 21.811 -6.701 1.00 17.91 C ATOM 640 HA ILE A 57 7.242 22.902 -4.093 1.00 0.00 H ATOM 641 HB ILE A 57 7.621 21.932 -6.972 1.00 0.00 H ATOM 642 HG12 ILE A 57 9.666 22.849 -4.942 1.00 0.00 H ATOM 643 HG13 ILE A 57 9.118 21.160 -5.042 1.00 0.00 H ATOM 644 HD11 ILE A 57 9.925 21.035 -7.368 1.00 0.00 H ATOM 645 HD12 ILE A 57 10.474 22.726 -7.268 1.00 0.00 H ATOM 646 HD13 ILE A 57 11.234 21.481 -6.246 1.00 0.00 H ATOM 647 HG21 ILE A 57 6.988 24.296 -6.999 1.00 0.00 H ATOM 648 HG22 ILE A 57 8.248 24.657 -5.794 1.00 0.00 H ATOM 649 HG23 ILE A 57 8.706 24.083 -7.416 1.00 0.00 H ATOM 650 H ILE A 57 7.128 20.273 -5.235 1.00 0.00 H ATOM 651 N MET A 58 4.754 22.353 -6.160 1.00 16.22 N ATOM 652 CA MET A 58 3.470 22.858 -6.609 1.00 16.73 C ATOM 653 C MET A 58 2.523 23.080 -5.427 1.00 16.65 C ATOM 654 O MET A 58 1.912 24.143 -5.304 1.00 18.27 O ATOM 655 CB MET A 58 2.862 21.869 -7.602 1.00 20.18 C ATOM 656 CG MET A 58 1.597 22.340 -8.258 1.00 22.00 C ATOM 657 SD MET A 58 1.330 21.432 -9.799 1.00 19.24 S ATOM 658 CE MET A 58 1.273 19.757 -9.193 1.00 22.47 C ATOM 659 HA MET A 58 3.619 23.821 -7.098 1.00 0.00 H ATOM 660 HB2 MET A 58 3.598 21.674 -8.382 1.00 0.00 H ATOM 661 HB3 MET A 58 2.645 20.943 -7.070 1.00 0.00 H ATOM 662 HG2 MET A 58 1.676 23.405 -8.475 1.00 0.00 H ATOM 663 HG3 MET A 58 0.756 22.169 -7.587 1.00 0.00 H ATOM 664 HE1 MET A 58 2.216 19.517 -8.702 1.00 0.00 H ATOM 665 HE2 MET A 58 0.455 19.658 -8.480 1.00 0.00 H ATOM 666 HE3 MET A 58 1.113 19.075 -10.028 1.00 0.00 H ATOM 667 H MET A 58 5.042 21.390 -6.428 1.00 0.00 H ATOM 668 N MET A 59 2.419 22.086 -4.547 1.00 17.68 N ATOM 669 CA MET A 59 1.534 22.185 -3.387 1.00 18.08 C ATOM 670 C MET A 59 1.906 23.328 -2.459 1.00 17.56 C ATOM 671 O MET A 59 1.033 24.029 -1.951 1.00 18.22 O ATOM 672 CB MET A 59 1.556 20.891 -2.576 1.00 18.52 C ATOM 673 CG MET A 59 1.066 19.674 -3.311 1.00 22.40 C ATOM 674 SD MET A 59 1.379 18.204 -2.313 1.00 26.72 S ATOM 675 CE MET A 59 0.202 18.446 -0.965 1.00 25.41 C ATOM 676 HA MET A 59 0.538 22.372 -3.789 1.00 0.00 H ATOM 677 HB2 MET A 59 2.583 20.706 -2.261 1.00 0.00 H ATOM 678 HB3 MET A 59 0.927 21.032 -1.697 1.00 0.00 H ATOM 679 HG2 MET A 59 1.592 19.587 -4.262 1.00 0.00 H ATOM 680 HG3 MET A 59 -0.004 19.767 -3.496 1.00 0.00 H ATOM 681 HE1 MET A 59 0.429 19.379 -0.449 1.00 0.00 H ATOM 682 HE2 MET A 59 -0.809 18.490 -1.370 1.00 0.00 H ATOM 683 HE3 MET A 59 0.278 17.614 -0.264 1.00 0.00 H ATOM 684 H MET A 59 2.979 21.221 -4.688 1.00 0.00 H ATOM 685 N LYS A 60 3.205 23.504 -2.221 1.00 15.18 N ATOM 686 CA LYS A 60 3.668 24.541 -1.315 1.00 15.90 C ATOM 687 C LYS A 60 3.863 25.875 -2.033 1.00 15.31 C ATOM 688 O LYS A 60 4.235 26.873 -1.415 1.00 16.61 O ATOM 689 CB LYS A 60 4.974 24.101 -0.645 1.00 17.53 C ATOM 690 CG LYS A 60 4.849 22.756 0.054 1.00 23.26 C ATOM 691 CD LYS A 60 5.861 22.598 1.174 1.00 27.96 C ATOM 692 CE LYS A 60 5.606 23.571 2.318 1.00 32.00 C ATOM 693 NZ LYS A 60 6.572 23.357 3.442 1.00 30.98 N ATOM 694 HA LYS A 60 2.902 24.689 -0.554 1.00 0.00 H ATOM 695 HB2 LYS A 60 5.750 24.028 -1.407 1.00 0.00 H ATOM 696 HB3 LYS A 60 5.259 24.852 0.091 1.00 0.00 H ATOM 697 HG2 LYS A 60 3.846 22.668 0.471 1.00 0.00 H ATOM 698 HG3 LYS A 60 5.007 21.963 -0.677 1.00 0.00 H ATOM 699 HD2 LYS A 60 5.804 21.580 1.559 1.00 0.00 H ATOM 700 HD3 LYS A 60 6.859 22.779 0.774 1.00 0.00 H ATOM 701 HE2 LYS A 60 4.592 23.425 2.689 1.00 0.00 H ATOM 702 HE3 LYS A 60 5.713 24.591 1.947 1.00 0.00 H ATOM 703 HZ1 LYS A 60 6.472 22.387 3.804 1.00 0.00 H ATOM 704 HZ2 LYS A 60 7.542 23.500 3.096 1.00 0.00 H ATOM 705 HZ3 LYS A 60 6.371 24.035 4.204 1.00 0.00 H ATOM 706 H LYS A 60 3.899 22.889 -2.692 1.00 0.00 H ATOM 707 N GLN A 61 3.602 25.885 -3.340 1.00 15.30 N ATOM 708 CA GLN A 61 3.684 27.109 -4.135 1.00 13.58 C ATOM 709 C GLN A 61 5.028 27.821 -3.980 1.00 15.49 C ATOM 710 O GLN A 61 5.096 29.035 -3.758 1.00 16.46 O ATOM 711 CB GLN A 61 2.530 28.045 -3.768 1.00 16.51 C ATOM 712 CG GLN A 61 1.177 27.528 -4.238 1.00 16.55 C ATOM 713 CD GLN A 61 0.012 28.386 -3.774 1.00 19.26 C ATOM 714 OE1 GLN A 61 0.075 29.615 -3.810 1.00 20.96 O ATOM 715 NE2 GLN A 61 -1.060 27.738 -3.341 1.00 17.12 N ATOM 716 HA GLN A 61 3.602 26.825 -5.184 1.00 0.00 H ATOM 717 HB2 GLN A 61 2.503 28.156 -2.684 1.00 0.00 H ATOM 718 HB3 GLN A 61 2.710 29.017 -4.227 1.00 0.00 H ATOM 719 HG2 GLN A 61 1.176 27.502 -5.328 1.00 0.00 H ATOM 720 HG3 GLN A 61 1.039 26.518 -3.852 1.00 0.00 H ATOM 721 HE22 GLN A 61 -1.069 26.698 -3.328 1.00 0.00 H ATOM 722 HE21 GLN A 61 -1.892 28.269 -3.014 1.00 0.00 H ATOM 723 H GLN A 61 3.332 24.996 -3.808 1.00 0.00 H ATOM 724 N LEU A 62 6.102 27.056 -4.115 1.00 14.79 N ATOM 725 CA LEU A 62 7.436 27.600 -3.925 1.00 14.01 C ATOM 726 C LEU A 62 7.958 28.245 -5.207 1.00 16.41 C ATOM 727 O LEU A 62 8.924 29.001 -5.177 1.00 16.75 O ATOM 728 CB LEU A 62 8.397 26.501 -3.471 1.00 15.27 C ATOM 729 CG LEU A 62 8.046 25.786 -2.161 1.00 14.49 C ATOM 730 CD1 LEU A 62 9.091 24.718 -1.871 1.00 17.36 C ATOM 731 CD2 LEU A 62 7.979 26.796 -1.023 1.00 15.88 C ATOM 732 HA LEU A 62 7.376 28.368 -3.154 1.00 0.00 H ATOM 733 HB2 LEU A 62 8.437 25.749 -4.259 1.00 0.00 H ATOM 734 HB3 LEU A 62 9.382 26.951 -3.350 1.00 0.00 H ATOM 735 HG LEU A 62 7.071 25.307 -2.254 1.00 0.00 H ATOM 736 HD21 LEU A 62 8.946 27.288 -0.918 1.00 0.00 H ATOM 737 HD22 LEU A 62 7.214 27.540 -1.244 1.00 0.00 H ATOM 738 HD23 LEU A 62 7.729 26.281 -0.096 1.00 0.00 H ATOM 739 HD11 LEU A 62 9.107 23.996 -2.687 1.00 0.00 H ATOM 740 HD12 LEU A 62 10.071 25.186 -1.779 1.00 0.00 H ATOM 741 HD13 LEU A 62 8.841 24.210 -0.940 1.00 0.00 H ATOM 742 H LEU A 62 5.988 26.052 -4.360 1.00 0.00 H ATOM 743 N TYR A 63 7.313 27.963 -6.335 1.00 14.66 N ATOM 744 CA TYR A 63 7.728 28.591 -7.577 1.00 15.01 C ATOM 745 C TYR A 63 7.406 30.082 -7.582 1.00 17.38 C ATOM 746 O TYR A 63 6.429 30.528 -6.972 1.00 17.07 O ATOM 747 CB TYR A 63 7.062 27.905 -8.780 1.00 13.91 C ATOM 748 CG TYR A 63 5.553 27.824 -8.690 1.00 14.99 C ATOM 749 CD1 TYR A 63 4.755 28.840 -9.189 1.00 16.51 C ATOM 750 CD2 TYR A 63 4.934 26.725 -8.107 1.00 15.03 C ATOM 751 CE1 TYR A 63 3.370 28.765 -9.112 1.00 17.01 C ATOM 752 CE2 TYR A 63 3.553 26.643 -8.021 1.00 16.56 C ATOM 753 CZ TYR A 63 2.780 27.666 -8.528 1.00 18.37 C ATOM 754 OH TYR A 63 1.405 27.587 -8.455 1.00 19.40 O ATOM 755 HA TYR A 63 8.809 28.476 -7.657 1.00 0.00 H ATOM 756 HB3 TYR A 63 7.455 26.891 -8.857 1.00 0.00 H ATOM 757 HB2 TYR A 63 7.322 28.463 -9.679 1.00 0.00 H ATOM 758 HD2 TYR A 63 5.545 25.914 -7.711 1.00 0.00 H ATOM 759 HE2 TYR A 63 3.082 25.777 -7.556 1.00 0.00 H ATOM 760 HE1 TYR A 63 2.754 29.571 -9.511 1.00 0.00 H ATOM 761 HD1 TYR A 63 5.221 29.712 -9.649 1.00 0.00 H ATOM 762 HH TYR A 63 1.095 26.784 -8.945 1.00 0.00 H ATOM 763 H TYR A 63 6.515 27.296 -6.328 1.00 0.00 H ATOM 764 N ASP A 64 8.248 30.848 -8.269 1.00 17.01 N ATOM 765 CA ASP A 64 8.028 32.275 -8.470 1.00 19.38 C ATOM 766 C ASP A 64 6.738 32.468 -9.267 1.00 20.47 C ATOM 767 O ASP A 64 6.526 31.809 -10.280 1.00 19.57 O ATOM 768 CB ASP A 64 9.221 32.864 -9.230 1.00 18.17 C ATOM 769 CG ASP A 64 9.190 34.378 -9.299 1.00 22.28 C ATOM 770 OD1 ASP A 64 9.908 35.023 -8.508 1.00 27.47 O ATOM 771 OD2 ASP A 64 8.461 34.927 -10.149 1.00 22.43 O ATOM 772 HA ASP A 64 7.935 32.785 -7.511 1.00 0.00 H ATOM 773 HB2 ASP A 64 10.139 32.558 -8.728 1.00 0.00 H ATOM 774 HB3 ASP A 64 9.215 32.469 -10.246 1.00 0.00 H ATOM 775 H ASP A 64 9.098 30.411 -8.680 1.00 0.00 H ATOM 776 N LYS A 65 5.876 33.369 -8.801 1.00 22.19 N ATOM 777 CA LYS A 65 4.549 33.533 -9.390 1.00 23.12 C ATOM 778 C LYS A 65 4.611 34.092 -10.807 1.00 23.75 C ATOM 779 O LYS A 65 3.749 33.800 -11.636 1.00 22.06 O ATOM 780 CB LYS A 65 3.703 34.465 -8.520 1.00 26.31 C ATOM 781 CG LYS A 65 3.521 33.989 -7.094 1.00 31.32 C ATOM 782 CD LYS A 65 2.701 32.717 -7.048 1.00 35.22 C ATOM 783 CE LYS A 65 3.577 31.487 -6.860 1.00 37.05 C ATOM 784 NZ LYS A 65 4.166 31.415 -5.494 1.00 33.19 N ATOM 785 HA LYS A 65 4.095 32.543 -9.438 1.00 0.00 H ATOM 786 HB2 LYS A 65 4.186 35.442 -8.495 1.00 0.00 H ATOM 787 HB3 LYS A 65 2.718 34.559 -8.977 1.00 0.00 H ATOM 788 HG2 LYS A 65 4.500 33.799 -6.654 1.00 0.00 H ATOM 789 HG3 LYS A 65 3.011 34.764 -6.522 1.00 0.00 H ATOM 790 HD2 LYS A 65 1.998 32.780 -6.218 1.00 0.00 H ATOM 791 HD3 LYS A 65 2.149 32.618 -7.983 1.00 0.00 H ATOM 792 HE2 LYS A 65 4.386 31.518 -7.590 1.00 0.00 H ATOM 793 HE3 LYS A 65 2.972 30.596 -7.028 1.00 0.00 H ATOM 794 HZ1 LYS A 65 4.752 32.257 -5.326 1.00 0.00 H ATOM 795 HZ2 LYS A 65 3.402 31.377 -4.790 1.00 0.00 H ATOM 796 HZ3 LYS A 65 4.754 30.561 -5.416 1.00 0.00 H ATOM 797 H LYS A 65 6.154 33.970 -7.999 1.00 0.00 H ATOM 798 N GLN A 66 5.627 34.904 -11.079 1.00 22.62 N ATOM 799 CA GLN A 66 5.717 35.601 -12.356 1.00 25.60 C ATOM 800 C GLN A 66 6.578 34.837 -13.352 1.00 24.44 C ATOM 801 O GLN A 66 6.249 34.753 -14.532 1.00 24.59 O ATOM 802 CB GLN A 66 6.290 37.006 -12.151 1.00 29.38 C ATOM 803 CG GLN A 66 5.390 37.939 -11.349 1.00 36.28 C ATOM 804 CD GLN A 66 5.347 37.594 -9.871 1.00 40.96 C ATOM 805 OE1 GLN A 66 4.286 37.620 -9.246 1.00 45.67 O ATOM 806 NE2 GLN A 66 6.505 37.271 -9.304 1.00 44.71 N ATOM 807 HA GLN A 66 4.709 35.673 -12.764 1.00 0.00 H ATOM 808 HB2 GLN A 66 7.241 36.914 -11.626 1.00 0.00 H ATOM 809 HB3 GLN A 66 6.459 37.453 -13.131 1.00 0.00 H ATOM 810 HG2 GLN A 66 5.761 38.958 -11.458 1.00 0.00 H ATOM 811 HG3 GLN A 66 4.379 37.877 -11.750 1.00 0.00 H ATOM 812 HE22 GLN A 66 7.377 37.262 -9.871 1.00 0.00 H ATOM 813 HE21 GLN A 66 6.539 37.027 -8.294 1.00 0.00 H ATOM 814 H GLN A 66 6.372 35.045 -10.367 1.00 0.00 H ATOM 815 N ARG A 67 7.685 34.281 -12.869 1.00 21.62 N ATOM 816 CA ARG A 67 8.592 33.522 -13.719 1.00 18.38 C ATOM 817 C ARG A 67 8.716 32.108 -13.156 1.00 17.64 C ATOM 818 O ARG A 67 9.559 31.836 -12.301 1.00 16.39 O ATOM 819 CB ARG A 67 9.952 34.224 -13.757 1.00 20.82 C ATOM 820 CG ARG A 67 9.840 35.705 -14.120 1.00 22.61 C ATOM 821 CD ARG A 67 11.189 36.406 -14.098 1.00 26.76 C ATOM 822 NE ARG A 67 12.042 35.972 -15.196 1.00 28.49 N ATOM 823 CZ ARG A 67 13.265 35.477 -15.035 1.00 27.97 C ATOM 824 NH1 ARG A 67 13.776 35.357 -13.817 1.00 29.31 N ATOM 825 NH2 ARG A 67 13.971 35.101 -16.088 1.00 30.09 N ATOM 826 HA ARG A 67 8.211 33.463 -14.738 1.00 0.00 H ATOM 827 HB2 ARG A 67 10.416 34.139 -12.774 1.00 0.00 H ATOM 828 HB3 ARG A 67 10.580 33.729 -14.498 1.00 0.00 H ATOM 829 HG2 ARG A 67 9.416 35.790 -15.121 1.00 0.00 H ATOM 830 HG3 ARG A 67 9.179 36.193 -13.404 1.00 0.00 H ATOM 831 HD2 ARG A 67 11.687 36.183 -13.154 1.00 0.00 H ATOM 832 HD3 ARG A 67 11.030 37.481 -14.178 1.00 0.00 H ATOM 833 HE ARG A 67 11.672 36.054 -16.164 1.00 0.00 H ATOM 834 HH12 ARG A 67 14.733 34.970 -13.690 1.00 0.00 H ATOM 835 HH11 ARG A 67 13.220 35.650 -12.989 1.00 0.00 H ATOM 836 HH22 ARG A 67 14.928 34.714 -15.961 1.00 0.00 H ATOM 837 HH21 ARG A 67 13.569 35.193 -17.043 1.00 0.00 H ATOM 838 H ARG A 67 7.909 34.391 -11.859 1.00 0.00 H ATOM 839 N GLN A 68 7.865 31.210 -13.640 1.00 16.51 N ATOM 840 CA GLN A 68 7.557 30.002 -12.888 1.00 16.37 C ATOM 841 C GLN A 68 8.566 28.873 -13.053 1.00 16.94 C ATOM 842 O GLN A 68 8.374 27.786 -12.516 1.00 15.57 O ATOM 843 CB GLN A 68 6.142 29.527 -13.239 1.00 17.67 C ATOM 844 CG GLN A 68 5.091 30.599 -12.972 1.00 15.69 C ATOM 845 CD GLN A 68 3.726 30.016 -12.663 1.00 14.50 C ATOM 846 OE1 GLN A 68 3.480 28.838 -12.892 1.00 16.89 O ATOM 847 NE2 GLN A 68 2.835 30.844 -12.122 1.00 19.94 N ATOM 848 HA GLN A 68 7.617 30.275 -11.834 1.00 0.00 H ATOM 849 HB2 GLN A 68 6.113 29.262 -14.296 1.00 0.00 H ATOM 850 HB3 GLN A 68 5.908 28.648 -12.639 1.00 0.00 H ATOM 851 HG2 GLN A 68 5.414 31.201 -12.122 1.00 0.00 H ATOM 852 HG3 GLN A 68 5.008 31.234 -13.854 1.00 0.00 H ATOM 853 HE22 GLN A 68 3.088 31.837 -11.945 1.00 0.00 H ATOM 854 HE21 GLN A 68 1.886 30.498 -11.876 1.00 0.00 H ATOM 855 H GLN A 68 7.415 31.371 -14.564 1.00 0.00 H ATOM 856 N HIS A 69 9.649 29.129 -13.786 1.00 15.87 N ATOM 857 CA HIS A 69 10.754 28.175 -13.835 1.00 16.24 C ATOM 858 C HIS A 69 11.730 28.416 -12.685 1.00 16.66 C ATOM 859 O HIS A 69 12.657 27.633 -12.477 1.00 15.83 O ATOM 860 CB HIS A 69 11.499 28.286 -15.171 1.00 15.74 C ATOM 861 CG HIS A 69 12.162 29.609 -15.380 1.00 18.44 C ATOM 862 ND1 HIS A 69 11.458 30.757 -15.676 1.00 18.55 N ATOM 863 CD2 HIS A 69 13.464 29.974 -15.301 1.00 16.84 C ATOM 864 CE1 HIS A 69 12.297 31.773 -15.766 1.00 19.17 C ATOM 865 NE2 HIS A 69 13.521 31.325 -15.543 1.00 19.38 N ATOM 866 HA HIS A 69 10.336 27.173 -13.739 1.00 0.00 H ATOM 867 HB2 HIS A 69 12.262 27.509 -15.205 1.00 0.00 H ATOM 868 HB3 HIS A 69 10.784 28.127 -15.978 1.00 0.00 H ATOM 869 HD2 HIS A 69 14.308 29.319 -15.086 1.00 0.00 H ATOM 870 HE1 HIS A 69 12.026 32.806 -15.987 1.00 0.00 H ATOM 871 H HIS A 69 9.708 30.015 -14.327 1.00 0.00 H ATOM 872 N ILE A 70 11.519 29.496 -11.937 1.00 14.71 N ATOM 873 CA ILE A 70 12.346 29.777 -10.770 1.00 15.03 C ATOM 874 C ILE A 70 11.633 29.283 -9.523 1.00 15.00 C ATOM 875 O ILE A 70 10.437 29.513 -9.350 1.00 15.18 O ATOM 876 CB ILE A 70 12.618 31.290 -10.628 1.00 16.29 C ATOM 877 CG1 ILE A 70 13.366 31.797 -11.865 1.00 17.09 C ATOM 878 CG2 ILE A 70 13.434 31.566 -9.366 1.00 17.87 C ATOM 879 CD1 ILE A 70 14.704 31.115 -12.103 1.00 18.02 C ATOM 880 HA ILE A 70 13.300 29.265 -10.895 1.00 0.00 H ATOM 881 HB ILE A 70 11.667 31.816 -10.545 1.00 0.00 H ATOM 882 HG12 ILE A 70 12.736 31.630 -12.739 1.00 0.00 H ATOM 883 HG13 ILE A 70 13.543 32.866 -11.745 1.00 0.00 H ATOM 884 HD11 ILE A 70 15.353 31.282 -11.244 1.00 0.00 H ATOM 885 HD12 ILE A 70 14.546 30.045 -12.239 1.00 0.00 H ATOM 886 HD13 ILE A 70 15.169 31.531 -12.997 1.00 0.00 H ATOM 887 HG21 ILE A 70 12.880 31.220 -8.494 1.00 0.00 H ATOM 888 HG22 ILE A 70 14.385 31.037 -9.427 1.00 0.00 H ATOM 889 HG23 ILE A 70 13.617 32.637 -9.280 1.00 0.00 H ATOM 890 H ILE A 70 10.751 30.151 -12.189 1.00 0.00 H ATOM 891 N VAL A 71 12.369 28.595 -8.661 1.00 15.52 N ATOM 892 CA VAL A 71 11.804 28.081 -7.416 1.00 15.21 C ATOM 893 C VAL A 71 12.520 28.747 -6.249 1.00 16.34 C ATOM 894 O VAL A 71 13.754 28.762 -6.201 1.00 17.75 O ATOM 895 CB VAL A 71 11.986 26.550 -7.322 1.00 14.01 C ATOM 896 CG1 VAL A 71 11.489 26.037 -5.972 1.00 16.63 C ATOM 897 CG2 VAL A 71 11.214 25.862 -8.448 1.00 17.26 C ATOM 898 HA VAL A 71 10.737 28.302 -7.389 1.00 0.00 H ATOM 899 HB VAL A 71 13.047 26.320 -7.419 1.00 0.00 H ATOM 900 HG11 VAL A 71 12.057 26.513 -5.173 1.00 0.00 H ATOM 901 HG12 VAL A 71 10.432 26.277 -5.860 1.00 0.00 H ATOM 902 HG13 VAL A 71 11.625 24.957 -5.923 1.00 0.00 H ATOM 903 HG21 VAL A 71 10.155 26.104 -8.361 1.00 0.00 H ATOM 904 HG22 VAL A 71 11.590 26.210 -9.410 1.00 0.00 H ATOM 905 HG23 VAL A 71 11.349 24.783 -8.373 1.00 0.00 H ATOM 906 H VAL A 71 13.371 28.417 -8.876 1.00 0.00 H ATOM 907 N HIS A 72 11.748 29.298 -5.315 1.00 16.70 N ATOM 908 CA HIS A 72 12.318 29.909 -4.116 1.00 18.26 C ATOM 909 C HIS A 72 12.088 28.986 -2.925 1.00 19.19 C ATOM 910 O HIS A 72 10.952 28.782 -2.504 1.00 19.39 O ATOM 911 CB HIS A 72 11.663 31.265 -3.839 1.00 18.49 C ATOM 912 CG HIS A 72 11.776 32.239 -4.969 1.00 21.14 C ATOM 913 ND1 HIS A 72 12.973 32.813 -5.342 1.00 23.13 N ATOM 914 CD2 HIS A 72 10.837 32.755 -5.797 1.00 21.14 C ATOM 915 CE1 HIS A 72 12.766 33.641 -6.351 1.00 23.70 C ATOM 916 NE2 HIS A 72 11.478 33.624 -6.646 1.00 23.56 N ATOM 917 HA HIS A 72 13.386 30.061 -4.272 1.00 0.00 H ATOM 918 HB2 HIS A 72 10.605 31.099 -3.634 1.00 0.00 H ATOM 919 HB3 HIS A 72 12.138 31.702 -2.961 1.00 0.00 H ATOM 920 HD2 HIS A 72 9.772 32.524 -5.791 1.00 0.00 H ATOM 921 HE1 HIS A 72 13.528 34.236 -6.854 1.00 0.00 H ATOM 922 H HIS A 72 10.716 29.294 -5.441 1.00 0.00 H ATOM 923 N CYS A 73 13.168 28.438 -2.376 1.00 20.49 N ATOM 924 CA CYS A 73 13.055 27.400 -1.354 1.00 24.64 C ATOM 925 C CYS A 73 13.778 27.745 -0.054 1.00 27.27 C ATOM 926 O CYS A 73 14.000 26.873 0.787 1.00 28.20 O ATOM 927 CB CYS A 73 13.588 26.070 -1.899 1.00 25.14 C ATOM 928 SG CYS A 73 15.222 26.162 -2.684 1.00 24.06 S ATOM 929 HA CYS A 73 11.995 27.319 -1.114 1.00 0.00 H ATOM 930 HB2 CYS A 73 12.878 25.698 -2.638 1.00 0.00 H ATOM 931 HB3 CYS A 73 13.650 25.365 -1.070 1.00 0.00 H ATOM 932 HG CYS A 73 16.147 26.613 -1.765 1.00 0.00 H ATOM 933 H CYS A 73 14.111 28.754 -2.680 1.00 0.00 H ATOM 934 N HIS A 74 14.113 29.020 0.114 1.00 28.11 N ATOM 935 CA HIS A 74 15.055 29.458 1.141 1.00 32.73 C ATOM 936 C HIS A 74 14.585 29.283 2.583 1.00 34.10 C ATOM 937 O HIS A 74 15.404 29.225 3.503 1.00 38.01 O ATOM 938 CB HIS A 74 15.428 30.922 0.907 1.00 32.82 C ATOM 939 CG HIS A 74 14.250 31.820 0.699 1.00 37.03 C ATOM 940 ND1 HIS A 74 13.743 32.105 -0.551 1.00 37.88 N ATOM 941 CD2 HIS A 74 13.482 32.502 1.581 1.00 37.25 C ATOM 942 CE1 HIS A 74 12.715 32.925 -0.430 1.00 37.63 C ATOM 943 NE2 HIS A 74 12.535 33.182 0.853 1.00 38.66 N ATOM 944 HA HIS A 74 15.916 28.798 1.034 1.00 0.00 H ATOM 945 HB2 HIS A 74 15.983 31.278 1.775 1.00 0.00 H ATOM 946 HB3 HIS A 74 16.063 30.978 0.023 1.00 0.00 H ATOM 947 HD2 HIS A 74 13.594 32.510 2.665 1.00 0.00 H ATOM 948 HE1 HIS A 74 12.117 33.322 -1.250 1.00 0.00 H ATOM 949 H HIS A 74 13.688 29.734 -0.511 1.00 0.00 H ATOM 950 N ASP A 75 13.276 29.212 2.782 1.00 33.50 N ATOM 951 CA ASP A 75 12.726 29.000 4.115 1.00 35.47 C ATOM 952 C ASP A 75 11.787 27.800 4.122 1.00 32.23 C ATOM 953 O ASP A 75 10.684 27.860 4.663 1.00 34.17 O ATOM 954 CB ASP A 75 11.987 30.255 4.586 1.00 38.82 C ATOM 955 CG ASP A 75 12.935 31.395 4.922 1.00 43.40 C ATOM 956 OD1 ASP A 75 13.910 31.159 5.668 1.00 45.70 O ATOM 957 OD2 ASP A 75 12.707 32.526 4.441 1.00 47.43 O ATOM 958 HA ASP A 75 13.548 28.797 4.801 1.00 0.00 H ATOM 959 HB2 ASP A 75 11.313 30.582 3.795 1.00 0.00 H ATOM 960 HB3 ASP A 75 11.408 30.007 5.476 1.00 0.00 H ATOM 961 H ASP A 75 12.630 29.309 1.973 1.00 0.00 H ATOM 962 N ASP A 76 12.245 26.712 3.509 1.00 29.34 N ATOM 963 CA ASP A 76 11.472 25.482 3.393 1.00 25.64 C ATOM 964 C ASP A 76 12.424 24.301 3.599 1.00 24.16 C ATOM 965 O ASP A 76 13.613 24.390 3.285 1.00 23.90 O ATOM 966 CB ASP A 76 10.831 25.406 1.997 1.00 24.73 C ATOM 967 CG ASP A 76 9.852 24.253 1.860 1.00 25.04 C ATOM 968 OD1 ASP A 76 8.637 24.473 2.054 1.00 24.08 O ATOM 969 OD2 ASP A 76 10.294 23.126 1.556 1.00 24.66 O ATOM 970 HA ASP A 76 10.679 25.457 4.141 1.00 0.00 H ATOM 971 HB2 ASP A 76 10.300 26.339 1.806 1.00 0.00 H ATOM 972 HB3 ASP A 76 11.622 25.282 1.257 1.00 0.00 H ATOM 973 H ASP A 76 13.198 26.740 3.094 1.00 0.00 H ATOM 974 N PRO A 77 11.917 23.177 4.129 1.00 22.51 N ATOM 975 CA PRO A 77 12.755 21.984 4.298 1.00 22.45 C ATOM 976 C PRO A 77 13.450 21.527 3.014 1.00 20.49 C ATOM 977 O PRO A 77 14.535 20.948 3.063 1.00 20.91 O ATOM 978 CB PRO A 77 11.782 20.937 4.831 1.00 24.05 C ATOM 979 CG PRO A 77 10.749 21.750 5.556 1.00 24.21 C ATOM 980 CD PRO A 77 10.579 22.992 4.720 1.00 24.29 C ATOM 981 HA PRO A 77 13.592 22.175 4.969 1.00 0.00 H ATOM 982 HD3 PRO A 77 9.825 22.844 3.947 1.00 0.00 H ATOM 983 HD2 PRO A 77 10.301 23.846 5.338 1.00 0.00 H ATOM 984 HG3 PRO A 77 11.095 22.005 6.558 1.00 0.00 H ATOM 985 HG2 PRO A 77 9.809 21.203 5.626 1.00 0.00 H ATOM 986 HB2 PRO A 77 11.331 20.373 4.014 1.00 0.00 H ATOM 987 HB3 PRO A 77 12.284 20.249 5.512 1.00 0.00 H ATOM 988 N LEU A 78 12.837 21.797 1.866 1.00 18.71 N ATOM 989 CA LEU A 78 13.466 21.448 0.596 1.00 18.91 C ATOM 990 C LEU A 78 14.742 22.263 0.381 1.00 18.85 C ATOM 991 O LEU A 78 15.725 21.762 -0.169 1.00 18.85 O ATOM 992 CB LEU A 78 12.494 21.683 -0.568 1.00 19.01 C ATOM 993 CG LEU A 78 13.092 21.459 -1.963 1.00 21.62 C ATOM 994 CD1 LEU A 78 13.586 20.031 -2.079 1.00 21.76 C ATOM 995 CD2 LEU A 78 12.045 21.753 -3.032 1.00 22.60 C ATOM 996 HA LEU A 78 13.729 20.391 0.629 1.00 0.00 H ATOM 997 HB2 LEU A 78 11.650 21.003 -0.448 1.00 0.00 H ATOM 998 HB3 LEU A 78 12.141 22.713 -0.512 1.00 0.00 H ATOM 999 HG LEU A 78 13.934 22.136 -2.111 1.00 0.00 H ATOM 1000 HD21 LEU A 78 11.192 21.088 -2.896 1.00 0.00 H ATOM 1001 HD22 LEU A 78 11.718 22.789 -2.943 1.00 0.00 H ATOM 1002 HD23 LEU A 78 12.479 21.591 -4.018 1.00 0.00 H ATOM 1003 HD11 LEU A 78 14.350 19.850 -1.323 1.00 0.00 H ATOM 1004 HD12 LEU A 78 12.752 19.346 -1.927 1.00 0.00 H ATOM 1005 HD13 LEU A 78 14.010 19.874 -3.071 1.00 0.00 H ATOM 1006 H LEU A 78 11.905 22.259 1.873 1.00 0.00 H ATOM 1007 N GLY A 79 14.727 23.519 0.817 1.00 19.08 N ATOM 1008 CA GLY A 79 15.906 24.355 0.665 1.00 19.69 C ATOM 1009 C GLY A 79 17.057 23.850 1.514 1.00 20.32 C ATOM 1010 O GLY A 79 18.227 24.003 1.159 1.00 18.45 O ATOM 1011 HA3 GLY A 79 15.661 25.373 0.969 1.00 0.00 H ATOM 1012 HA2 GLY A 79 16.210 24.353 -0.382 1.00 0.00 H ATOM 1013 H GLY A 79 13.872 23.903 1.267 1.00 0.00 H ATOM 1014 N GLU A 80 16.724 23.235 2.643 1.00 20.11 N ATOM 1015 CA GLU A 80 17.742 22.675 3.520 1.00 22.14 C ATOM 1016 C GLU A 80 18.460 21.521 2.834 1.00 22.28 C ATOM 1017 O GLU A 80 19.677 21.380 2.955 1.00 24.83 O ATOM 1018 CB GLU A 80 17.104 22.191 4.824 1.00 26.07 C ATOM 1019 CG GLU A 80 16.471 23.304 5.634 1.00 31.66 C ATOM 1020 CD GLU A 80 17.453 24.412 5.958 1.00 35.94 C ATOM 1021 OE1 GLU A 80 18.579 24.101 6.408 1.00 39.25 O ATOM 1022 OE2 GLU A 80 17.100 25.595 5.759 1.00 39.65 O ATOM 1023 HA GLU A 80 18.470 23.454 3.747 1.00 0.00 H ATOM 1024 HB2 GLU A 80 16.334 21.459 4.581 1.00 0.00 H ATOM 1025 HB3 GLU A 80 17.875 21.717 5.431 1.00 0.00 H ATOM 1026 HG2 GLU A 80 15.643 23.725 5.064 1.00 0.00 H ATOM 1027 HG3 GLU A 80 16.093 22.887 6.567 1.00 0.00 H ATOM 1028 H GLU A 80 15.721 23.152 2.904 1.00 0.00 H ATOM 1029 N LEU A 81 17.708 20.700 2.106 1.00 20.94 N ATOM 1030 CA LEU A 81 18.307 19.593 1.364 1.00 21.71 C ATOM 1031 C LEU A 81 19.087 20.084 0.149 1.00 21.03 C ATOM 1032 O LEU A 81 20.168 19.575 -0.151 1.00 22.00 O ATOM 1033 CB LEU A 81 17.229 18.602 0.912 1.00 24.57 C ATOM 1034 CG LEU A 81 16.554 17.792 2.020 1.00 27.21 C ATOM 1035 CD1 LEU A 81 15.637 16.740 1.412 1.00 28.94 C ATOM 1036 CD2 LEU A 81 17.621 17.129 2.874 1.00 28.83 C ATOM 1037 HA LEU A 81 19.002 19.093 2.038 1.00 0.00 H ATOM 1038 HB2 LEU A 81 16.455 19.166 0.392 1.00 0.00 H ATOM 1039 HB3 LEU A 81 17.692 17.899 0.219 1.00 0.00 H ATOM 1040 HG LEU A 81 15.954 18.455 2.643 1.00 0.00 H ATOM 1041 HD21 LEU A 81 18.224 16.468 2.252 1.00 0.00 H ATOM 1042 HD22 LEU A 81 18.258 17.895 3.316 1.00 0.00 H ATOM 1043 HD23 LEU A 81 17.144 16.551 3.665 1.00 0.00 H ATOM 1044 HD11 LEU A 81 14.873 17.231 0.809 1.00 0.00 H ATOM 1045 HD12 LEU A 81 16.222 16.069 0.783 1.00 0.00 H ATOM 1046 HD13 LEU A 81 15.162 16.169 2.210 1.00 0.00 H ATOM 1047 H LEU A 81 16.679 20.848 2.064 1.00 0.00 H ATOM 1048 N LEU A 82 18.548 21.077 -0.552 1.00 19.47 N ATOM 1049 CA LEU A 82 19.193 21.569 -1.765 1.00 19.30 C ATOM 1050 C LEU A 82 20.412 22.439 -1.461 1.00 20.11 C ATOM 1051 O LEU A 82 21.303 22.576 -2.295 1.00 19.89 O ATOM 1052 CB LEU A 82 18.198 22.366 -2.616 1.00 19.22 C ATOM 1053 CG LEU A 82 17.045 21.578 -3.239 1.00 21.30 C ATOM 1054 CD1 LEU A 82 16.067 22.544 -3.885 1.00 19.98 C ATOM 1055 CD2 LEU A 82 17.584 20.597 -4.265 1.00 23.78 C ATOM 1056 HA LEU A 82 19.534 20.694 -2.318 1.00 0.00 H ATOM 1057 HB2 LEU A 82 17.765 23.140 -1.982 1.00 0.00 H ATOM 1058 HB3 LEU A 82 18.756 22.833 -3.427 1.00 0.00 H ATOM 1059 HG LEU A 82 16.526 21.014 -2.464 1.00 0.00 H ATOM 1060 HD21 LEU A 82 18.110 21.144 -5.047 1.00 0.00 H ATOM 1061 HD22 LEU A 82 18.271 19.905 -3.778 1.00 0.00 H ATOM 1062 HD23 LEU A 82 16.756 20.040 -4.704 1.00 0.00 H ATOM 1063 HD11 LEU A 82 15.677 23.225 -3.128 1.00 0.00 H ATOM 1064 HD12 LEU A 82 16.580 23.115 -4.659 1.00 0.00 H ATOM 1065 HD13 LEU A 82 15.245 21.983 -4.329 1.00 0.00 H ATOM 1066 H LEU A 82 17.657 21.508 -0.232 1.00 0.00 H ATOM 1067 N GLU A 83 20.433 23.037 -0.275 1.00 19.01 N ATOM 1068 CA GLU A 83 21.532 23.909 0.145 1.00 19.00 C ATOM 1069 C GLU A 83 21.645 25.188 -0.687 1.00 19.09 C ATOM 1070 O GLU A 83 22.688 25.839 -0.697 1.00 18.95 O ATOM 1071 CB GLU A 83 22.862 23.148 0.106 1.00 20.09 C ATOM 1072 CG GLU A 83 22.841 21.852 0.894 1.00 20.45 C ATOM 1073 CD GLU A 83 24.125 21.054 0.773 1.00 21.21 C ATOM 1074 OE1 GLU A 83 24.313 20.129 1.588 1.00 25.65 O ATOM 1075 OE2 GLU A 83 24.945 21.346 -0.124 1.00 25.00 O ATOM 1076 HA GLU A 83 21.304 24.214 1.166 1.00 0.00 H ATOM 1077 HB2 GLU A 83 23.097 22.917 -0.933 1.00 0.00 H ATOM 1078 HB3 GLU A 83 23.640 23.791 0.519 1.00 0.00 H ATOM 1079 HG2 GLU A 83 22.679 22.089 1.945 1.00 0.00 H ATOM 1080 HG3 GLU A 83 22.017 21.239 0.530 1.00 0.00 H ATOM 1081 H GLU A 83 19.640 22.880 0.379 1.00 0.00 H ATOM 1082 N VAL A 84 20.570 25.547 -1.383 1.00 17.69 N ATOM 1083 CA VAL A 84 20.498 26.835 -2.072 1.00 18.24 C ATOM 1084 C VAL A 84 19.162 27.495 -1.741 1.00 17.29 C ATOM 1085 O VAL A 84 18.221 26.821 -1.327 1.00 19.72 O ATOM 1086 CB VAL A 84 20.615 26.673 -3.611 1.00 19.62 C ATOM 1087 CG1 VAL A 84 21.982 26.105 -3.972 1.00 23.39 C ATOM 1088 CG2 VAL A 84 19.512 25.758 -4.129 1.00 22.82 C ATOM 1089 HA VAL A 84 21.333 27.450 -1.734 1.00 0.00 H ATOM 1090 HB VAL A 84 20.505 27.652 -4.078 1.00 0.00 H ATOM 1091 HG11 VAL A 84 22.760 26.783 -3.622 1.00 0.00 H ATOM 1092 HG12 VAL A 84 22.106 25.132 -3.498 1.00 0.00 H ATOM 1093 HG13 VAL A 84 22.054 25.995 -5.054 1.00 0.00 H ATOM 1094 HG21 VAL A 84 19.603 24.779 -3.659 1.00 0.00 H ATOM 1095 HG22 VAL A 84 18.541 26.190 -3.888 1.00 0.00 H ATOM 1096 HG23 VAL A 84 19.606 25.653 -5.210 1.00 0.00 H ATOM 1097 H VAL A 84 19.761 24.896 -1.439 1.00 0.00 H ATOM 1098 N GLY A 85 19.089 28.812 -1.910 1.00 17.03 N ATOM 1099 CA GLY A 85 17.869 29.524 -1.570 1.00 16.68 C ATOM 1100 C GLY A 85 16.884 29.555 -2.724 1.00 17.38 C ATOM 1101 O GLY A 85 15.678 29.714 -2.532 1.00 17.40 O ATOM 1102 HA3 GLY A 85 18.124 30.548 -1.298 1.00 0.00 H ATOM 1103 HA2 GLY A 85 17.399 29.030 -0.720 1.00 0.00 H ATOM 1104 H GLY A 85 19.907 29.333 -2.286 1.00 0.00 H ATOM 1105 N SER A 86 17.404 29.404 -3.933 1.00 17.25 N ATOM 1106 CA SER A 86 16.570 29.389 -5.125 1.00 17.78 C ATOM 1107 C SER A 86 17.273 28.575 -6.197 1.00 16.44 C ATOM 1108 O SER A 86 18.497 28.416 -6.171 1.00 17.22 O ATOM 1109 CB SER A 86 16.345 30.818 -5.631 1.00 21.29 C ATOM 1110 OG SER A 86 15.599 31.576 -4.696 1.00 28.08 O ATOM 1111 HA SER A 86 15.602 28.946 -4.889 1.00 0.00 H ATOM 1112 HB2 SER A 86 15.801 30.781 -6.575 1.00 0.00 H ATOM 1113 HB3 SER A 86 17.311 31.297 -5.789 1.00 0.00 H ATOM 1114 HG SER A 86 16.091 31.616 -3.838 1.00 0.00 H ATOM 1115 H SER A 86 18.433 29.294 -4.032 1.00 0.00 H ATOM 1116 N PHE A 87 16.505 28.049 -7.140 1.00 14.83 N ATOM 1117 CA PHE A 87 17.104 27.446 -8.325 1.00 15.09 C ATOM 1118 C PHE A 87 16.200 27.592 -9.531 1.00 15.49 C ATOM 1119 O PHE A 87 15.029 27.947 -9.403 1.00 15.24 O ATOM 1120 CB PHE A 87 17.427 25.959 -8.095 1.00 16.57 C ATOM 1121 CG PHE A 87 16.212 25.077 -7.932 1.00 19.54 C ATOM 1122 CD1 PHE A 87 15.712 24.357 -9.005 1.00 20.84 C ATOM 1123 CD2 PHE A 87 15.596 24.943 -6.699 1.00 19.43 C ATOM 1124 CE1 PHE A 87 14.618 23.517 -8.851 1.00 23.86 C ATOM 1125 CE2 PHE A 87 14.502 24.105 -6.538 1.00 20.53 C ATOM 1126 CZ PHE A 87 14.014 23.392 -7.615 1.00 22.28 C ATOM 1127 HA PHE A 87 18.035 27.979 -8.518 1.00 0.00 H ATOM 1128 HB2 PHE A 87 17.999 25.598 -8.949 1.00 0.00 H ATOM 1129 HB3 PHE A 87 18.033 25.877 -7.192 1.00 0.00 H ATOM 1130 HD2 PHE A 87 15.975 25.503 -5.844 1.00 0.00 H ATOM 1131 HE2 PHE A 87 14.028 24.010 -5.561 1.00 0.00 H ATOM 1132 HZ PHE A 87 13.155 22.733 -7.490 1.00 0.00 H ATOM 1133 HE1 PHE A 87 14.236 22.957 -9.704 1.00 0.00 H ATOM 1134 HD1 PHE A 87 16.184 24.452 -9.983 1.00 0.00 H ATOM 1135 H PHE A 87 15.470 28.066 -7.035 1.00 0.00 H ATOM 1136 N SER A 88 16.762 27.324 -10.704 1.00 13.34 N ATOM 1137 CA SER A 88 15.993 27.322 -11.940 1.00 15.17 C ATOM 1138 C SER A 88 15.743 25.893 -12.400 1.00 14.73 C ATOM 1139 O SER A 88 16.651 25.058 -12.399 1.00 16.29 O ATOM 1140 CB SER A 88 16.758 28.079 -13.028 1.00 16.33 C ATOM 1141 OG SER A 88 16.121 27.926 -14.283 1.00 16.99 O ATOM 1142 HA SER A 88 15.037 27.812 -11.758 1.00 0.00 H ATOM 1143 HB2 SER A 88 17.773 27.687 -13.091 1.00 0.00 H ATOM 1144 HB3 SER A 88 16.794 29.138 -12.771 1.00 0.00 H ATOM 1145 HG SER A 88 16.630 28.422 -14.973 1.00 0.00 H ATOM 1146 H SER A 88 17.779 27.110 -10.741 1.00 0.00 H ATOM 1147 N VAL A 89 14.510 25.610 -12.809 1.00 14.73 N ATOM 1148 CA VAL A 89 14.184 24.286 -13.309 1.00 17.22 C ATOM 1149 C VAL A 89 15.028 23.974 -14.545 1.00 18.68 C ATOM 1150 O VAL A 89 15.284 22.810 -14.853 1.00 20.29 O ATOM 1151 CB VAL A 89 12.673 24.182 -13.646 1.00 18.73 C ATOM 1152 CG1 VAL A 89 12.354 22.806 -14.202 1.00 21.40 C ATOM 1153 CG2 VAL A 89 11.848 24.440 -12.382 1.00 19.68 C ATOM 1154 HA VAL A 89 14.409 23.555 -12.532 1.00 0.00 H ATOM 1155 HB VAL A 89 12.423 24.929 -14.399 1.00 0.00 H ATOM 1156 HG11 VAL A 89 12.935 22.638 -15.109 1.00 0.00 H ATOM 1157 HG12 VAL A 89 12.608 22.048 -13.461 1.00 0.00 H ATOM 1158 HG13 VAL A 89 11.291 22.747 -14.434 1.00 0.00 H ATOM 1159 HG21 VAL A 89 12.104 23.698 -11.625 1.00 0.00 H ATOM 1160 HG22 VAL A 89 12.068 25.438 -12.003 1.00 0.00 H ATOM 1161 HG23 VAL A 89 10.787 24.366 -12.621 1.00 0.00 H ATOM 1162 H VAL A 89 13.773 26.343 -12.771 1.00 0.00 H ATOM 1163 N LYS A 90 15.484 25.021 -15.228 1.00 19.82 N ATOM 1164 CA LYS A 90 16.330 24.876 -16.414 1.00 20.79 C ATOM 1165 C LYS A 90 17.828 24.758 -16.087 1.00 21.66 C ATOM 1166 O LYS A 90 18.658 24.606 -16.989 1.00 22.41 O ATOM 1167 CB LYS A 90 16.113 26.064 -17.355 1.00 22.50 C ATOM 1168 CG LYS A 90 14.678 26.259 -17.814 1.00 25.89 C ATOM 1169 CD LYS A 90 14.558 27.532 -18.641 1.00 31.21 C ATOM 1170 CE LYS A 90 13.121 27.828 -19.025 1.00 35.35 C ATOM 1171 NZ LYS A 90 13.020 29.110 -19.774 1.00 37.52 N ATOM 1172 HA LYS A 90 16.032 23.942 -16.891 1.00 0.00 H ATOM 1173 HB2 LYS A 90 16.430 26.969 -16.837 1.00 0.00 H ATOM 1174 HB3 LYS A 90 16.735 25.916 -18.238 1.00 0.00 H ATOM 1175 HG2 LYS A 90 14.375 25.406 -18.420 1.00 0.00 H ATOM 1176 HG3 LYS A 90 14.028 26.333 -16.942 1.00 0.00 H ATOM 1177 HD2 LYS A 90 14.946 28.368 -18.059 1.00 0.00 H ATOM 1178 HD3 LYS A 90 15.149 27.418 -19.550 1.00 0.00 H ATOM 1179 HE2 LYS A 90 12.517 27.895 -18.120 1.00 0.00 H ATOM 1180 HE3 LYS A 90 12.746 27.019 -19.651 1.00 0.00 H ATOM 1181 HZ1 LYS A 90 13.373 29.887 -19.179 1.00 0.00 H ATOM 1182 HZ2 LYS A 90 13.591 29.049 -20.641 1.00 0.00 H ATOM 1183 HZ3 LYS A 90 12.026 29.287 -20.024 1.00 0.00 H ATOM 1184 H LYS A 90 15.230 25.977 -14.908 1.00 0.00 H ATOM 1185 N ASN A 91 18.170 24.838 -14.803 1.00 21.52 N ATOM 1186 CA ASN A 91 19.551 24.652 -14.337 1.00 21.12 C ATOM 1187 C ASN A 91 19.501 23.721 -13.122 1.00 22.25 C ATOM 1188 O ASN A 91 19.852 24.114 -12.011 1.00 22.63 O ATOM 1189 CB ASN A 91 20.152 26.009 -13.942 1.00 21.24 C ATOM 1190 CG ASN A 91 21.651 25.941 -13.644 1.00 24.19 C ATOM 1191 OD1 ASN A 91 22.284 24.902 -13.802 1.00 26.95 O ATOM 1192 ND2 ASN A 91 22.218 27.063 -13.212 1.00 27.97 N ATOM 1193 HA ASN A 91 20.173 24.222 -15.122 1.00 0.00 H ATOM 1194 HB2 ASN A 91 19.993 26.710 -14.761 1.00 0.00 H ATOM 1195 HB3 ASN A 91 19.638 26.370 -13.051 1.00 0.00 H ATOM 1196 HD22 ASN A 91 21.645 27.922 -13.092 1.00 0.00 H ATOM 1197 HD21 ASN A 91 23.235 27.081 -12.994 1.00 0.00 H ATOM 1198 H ASN A 91 17.430 25.040 -14.101 1.00 0.00 H ATOM 1199 N PRO A 92 19.060 22.473 -13.335 1.00 22.94 N ATOM 1200 CA PRO A 92 18.652 21.528 -12.288 1.00 24.72 C ATOM 1201 C PRO A 92 19.795 20.886 -11.509 1.00 23.61 C ATOM 1202 O PRO A 92 19.562 20.023 -10.663 1.00 24.85 O ATOM 1203 CB PRO A 92 17.839 20.489 -13.047 1.00 24.64 C ATOM 1204 CG PRO A 92 18.430 20.503 -14.421 1.00 26.49 C ATOM 1205 CD PRO A 92 18.833 21.925 -14.683 1.00 24.56 C ATOM 1206 HA PRO A 92 18.099 22.043 -11.503 1.00 0.00 H ATOM 1207 HD3 PRO A 92 19.744 21.968 -15.280 1.00 0.00 H ATOM 1208 HD2 PRO A 92 18.038 22.467 -15.195 1.00 0.00 H ATOM 1209 HG3 PRO A 92 17.693 20.177 -15.154 1.00 0.00 H ATOM 1210 HG2 PRO A 92 19.300 19.848 -14.466 1.00 0.00 H ATOM 1211 HB2 PRO A 92 17.943 19.505 -12.590 1.00 0.00 H ATOM 1212 HB3 PRO A 92 16.785 20.766 -13.075 1.00 0.00 H ATOM 1213 N SER A 93 21.026 21.299 -11.792 1.00 23.21 N ATOM 1214 CA SER A 93 22.185 20.691 -11.147 1.00 23.32 C ATOM 1215 C SER A 93 22.048 20.527 -9.627 1.00 23.13 C ATOM 1216 O SER A 93 22.329 19.455 -9.092 1.00 21.68 O ATOM 1217 CB SER A 93 23.448 21.496 -11.461 1.00 26.24 C ATOM 1218 OG SER A 93 24.587 20.861 -10.911 1.00 29.65 O ATOM 1219 HA SER A 93 22.255 19.685 -11.560 1.00 0.00 H ATOM 1220 HB2 SER A 93 23.353 22.495 -11.035 1.00 0.00 H ATOM 1221 HB3 SER A 93 23.566 21.573 -12.542 1.00 0.00 H ATOM 1222 HG SER A 93 24.677 19.954 -11.298 1.00 0.00 H ATOM 1223 H SER A 93 21.165 22.065 -12.482 1.00 0.00 H ATOM 1224 N PRO A 94 21.616 21.581 -8.912 1.00 21.88 N ATOM 1225 CA PRO A 94 21.479 21.485 -7.451 1.00 21.24 C ATOM 1226 C PRO A 94 20.532 20.363 -7.047 1.00 21.65 C ATOM 1227 O PRO A 94 20.689 19.742 -5.992 1.00 20.67 O ATOM 1228 CB PRO A 94 20.926 22.851 -7.044 1.00 22.73 C ATOM 1229 CG PRO A 94 21.303 23.761 -8.166 1.00 23.45 C ATOM 1230 CD PRO A 94 21.261 22.922 -9.408 1.00 22.54 C ATOM 1231 HA PRO A 94 22.424 21.250 -6.961 1.00 0.00 H ATOM 1232 HD3 PRO A 94 20.265 22.926 -9.851 1.00 0.00 H ATOM 1233 HD2 PRO A 94 21.985 23.273 -10.143 1.00 0.00 H ATOM 1234 HG3 PRO A 94 22.306 24.159 -8.011 1.00 0.00 H ATOM 1235 HG2 PRO A 94 20.594 24.585 -8.241 1.00 0.00 H ATOM 1236 HB2 PRO A 94 19.843 22.809 -6.930 1.00 0.00 H ATOM 1237 HB3 PRO A 94 21.376 23.185 -6.109 1.00 0.00 H ATOM 1238 N LEU A 95 19.538 20.113 -7.890 1.00 21.62 N ATOM 1239 CA LEU A 95 18.554 19.084 -7.600 1.00 22.66 C ATOM 1240 C LEU A 95 19.176 17.698 -7.757 1.00 22.63 C ATOM 1241 O LEU A 95 19.009 16.832 -6.900 1.00 21.76 O ATOM 1242 CB LEU A 95 17.357 19.227 -8.538 1.00 23.84 C ATOM 1243 CG LEU A 95 16.123 18.419 -8.137 1.00 29.66 C ATOM 1244 CD1 LEU A 95 15.529 18.977 -6.850 1.00 30.49 C ATOM 1245 CD2 LEU A 95 15.102 18.486 -9.249 1.00 33.79 C ATOM 1246 HA LEU A 95 18.216 19.203 -6.571 1.00 0.00 H ATOM 1247 HB2 LEU A 95 17.076 20.280 -8.571 1.00 0.00 H ATOM 1248 HB3 LEU A 95 17.665 18.903 -9.532 1.00 0.00 H ATOM 1249 HG LEU A 95 16.408 17.381 -7.967 1.00 0.00 H ATOM 1250 HD21 LEU A 95 14.820 19.525 -9.420 1.00 0.00 H ATOM 1251 HD22 LEU A 95 15.532 18.070 -10.161 1.00 0.00 H ATOM 1252 HD23 LEU A 95 14.220 17.911 -8.966 1.00 0.00 H ATOM 1253 HD11 LEU A 95 16.271 18.918 -6.054 1.00 0.00 H ATOM 1254 HD12 LEU A 95 15.242 20.017 -7.005 1.00 0.00 H ATOM 1255 HD13 LEU A 95 14.651 18.394 -6.574 1.00 0.00 H ATOM 1256 H LEU A 95 19.462 20.661 -8.770 1.00 0.00 H ATOM 1257 N TYR A 96 19.907 17.489 -8.845 1.00 23.13 N ATOM 1258 CA TYR A 96 20.542 16.196 -9.067 1.00 24.97 C ATOM 1259 C TYR A 96 21.645 15.925 -8.050 1.00 24.78 C ATOM 1260 O TYR A 96 21.847 14.782 -7.642 1.00 24.08 O ATOM 1261 CB TYR A 96 21.109 16.113 -10.486 1.00 28.50 C ATOM 1262 CG TYR A 96 20.043 16.112 -11.561 1.00 33.87 C ATOM 1263 CD1 TYR A 96 20.037 17.073 -12.561 1.00 37.97 C ATOM 1264 CD2 TYR A 96 19.039 15.153 -11.568 1.00 37.51 C ATOM 1265 CE1 TYR A 96 19.060 17.082 -13.540 1.00 39.91 C ATOM 1266 CE2 TYR A 96 18.055 15.154 -12.545 1.00 40.46 C ATOM 1267 CZ TYR A 96 18.073 16.122 -13.527 1.00 40.22 C ATOM 1268 OH TYR A 96 17.100 16.131 -14.499 1.00 45.46 O ATOM 1269 HA TYR A 96 19.775 15.432 -8.941 1.00 0.00 H ATOM 1270 HB3 TYR A 96 21.689 15.194 -10.573 1.00 0.00 H ATOM 1271 HB2 TYR A 96 21.762 16.970 -10.648 1.00 0.00 H ATOM 1272 HD2 TYR A 96 19.024 14.387 -10.793 1.00 0.00 H ATOM 1273 HE2 TYR A 96 17.273 14.395 -12.537 1.00 0.00 H ATOM 1274 HE1 TYR A 96 19.071 17.845 -14.318 1.00 0.00 H ATOM 1275 HD1 TYR A 96 20.816 17.835 -12.576 1.00 0.00 H ATOM 1276 HH TYR A 96 17.261 16.886 -15.119 1.00 0.00 H ATOM 1277 H TYR A 96 20.027 18.251 -9.542 1.00 0.00 H ATOM 1278 N GLU A 97 22.357 16.970 -7.633 1.00 22.77 N ATOM 1279 CA GLU A 97 23.383 16.801 -6.607 1.00 23.83 C ATOM 1280 C GLU A 97 22.752 16.454 -5.263 1.00 23.11 C ATOM 1281 O GLU A 97 23.301 15.657 -4.507 1.00 24.06 O ATOM 1282 CB GLU A 97 24.232 18.068 -6.469 1.00 26.38 C ATOM 1283 CG GLU A 97 25.102 18.365 -7.682 1.00 32.16 C ATOM 1284 CD GLU A 97 26.149 17.293 -7.932 1.00 37.21 C ATOM 1285 OE1 GLU A 97 26.467 17.033 -9.112 1.00 39.57 O ATOM 1286 OE2 GLU A 97 26.655 16.710 -6.948 1.00 39.16 O ATOM 1287 HA GLU A 97 24.028 15.979 -6.916 1.00 0.00 H ATOM 1288 HB2 GLU A 97 23.563 18.914 -6.311 1.00 0.00 H ATOM 1289 HB3 GLU A 97 24.881 17.953 -5.601 1.00 0.00 H ATOM 1290 HG2 GLU A 97 24.461 18.438 -8.561 1.00 0.00 H ATOM 1291 HG3 GLU A 97 25.609 19.317 -7.523 1.00 0.00 H ATOM 1292 H GLU A 97 22.182 17.911 -8.040 1.00 0.00 H ATOM 1293 N MET A 98 21.599 17.049 -4.972 1.00 21.23 N ATOM 1294 CA MET A 98 20.857 16.713 -3.760 1.00 23.33 C ATOM 1295 C MET A 98 20.426 15.249 -3.789 1.00 24.12 C ATOM 1296 O MET A 98 20.550 14.536 -2.792 1.00 24.92 O ATOM 1297 CB MET A 98 19.618 17.608 -3.626 1.00 23.49 C ATOM 1298 CG MET A 98 18.810 17.369 -2.346 1.00 24.49 C ATOM 1299 SD MET A 98 17.587 16.038 -2.491 1.00 26.15 S ATOM 1300 CE MET A 98 16.475 16.754 -3.711 1.00 24.81 C ATOM 1301 HA MET A 98 21.511 16.877 -2.904 1.00 0.00 H ATOM 1302 HB2 MET A 98 19.944 18.648 -3.637 1.00 0.00 H ATOM 1303 HB3 MET A 98 18.968 17.424 -4.481 1.00 0.00 H ATOM 1304 HG2 MET A 98 18.287 18.291 -2.092 1.00 0.00 H ATOM 1305 HG3 MET A 98 19.503 17.114 -1.544 1.00 0.00 H ATOM 1306 HE1 MET A 98 16.067 17.688 -3.325 1.00 0.00 H ATOM 1307 HE2 MET A 98 17.025 16.950 -4.631 1.00 0.00 H ATOM 1308 HE3 MET A 98 15.662 16.057 -3.913 1.00 0.00 H ATOM 1309 H MET A 98 21.218 17.768 -5.620 1.00 0.00 H ATOM 1310 N LEU A 99 19.926 14.802 -4.937 1.00 24.57 N ATOM 1311 CA LEU A 99 19.457 13.423 -5.068 1.00 28.03 C ATOM 1312 C LEU A 99 20.598 12.422 -4.908 1.00 30.26 C ATOM 1313 O LEU A 99 20.406 11.328 -4.374 1.00 30.68 O ATOM 1314 CB LEU A 99 18.774 13.222 -6.424 1.00 27.27 C ATOM 1315 CG LEU A 99 17.475 14.012 -6.611 1.00 29.84 C ATOM 1316 CD1 LEU A 99 16.865 13.706 -7.973 1.00 31.43 C ATOM 1317 CD2 LEU A 99 16.503 13.652 -5.498 1.00 29.25 C ATOM 1318 HA LEU A 99 18.738 13.243 -4.269 1.00 0.00 H ATOM 1319 HB2 LEU A 99 19.472 13.526 -7.204 1.00 0.00 H ATOM 1320 HB3 LEU A 99 18.546 12.162 -6.536 1.00 0.00 H ATOM 1321 HG LEU A 99 17.689 15.080 -6.566 1.00 0.00 H ATOM 1322 HD21 LEU A 99 16.290 12.584 -5.535 1.00 0.00 H ATOM 1323 HD22 LEU A 99 16.947 13.902 -4.534 1.00 0.00 H ATOM 1324 HD23 LEU A 99 15.578 14.213 -5.630 1.00 0.00 H ATOM 1325 HD11 LEU A 99 17.569 13.986 -8.756 1.00 0.00 H ATOM 1326 HD12 LEU A 99 16.648 12.640 -8.041 1.00 0.00 H ATOM 1327 HD13 LEU A 99 15.942 14.274 -8.092 1.00 0.00 H ATOM 1328 H LEU A 99 19.868 15.443 -5.754 1.00 0.00 H ATOM 1329 N LYS A 100 21.788 12.797 -5.360 1.00 30.95 N ATOM 1330 CA LYS A 100 22.948 11.936 -5.181 1.00 33.21 C ATOM 1331 C LYS A 100 23.272 11.767 -3.699 1.00 33.26 C ATOM 1332 O LYS A 100 23.644 10.680 -3.261 1.00 34.35 O ATOM 1333 CB LYS A 100 24.154 12.513 -5.925 1.00 35.73 C ATOM 1334 CG LYS A 100 24.002 12.485 -7.438 1.00 39.55 C ATOM 1335 CD LYS A 100 25.242 13.025 -8.136 1.00 43.22 C ATOM 1336 CE LYS A 100 25.070 13.015 -9.648 1.00 45.34 C ATOM 1337 NZ LYS A 100 26.209 13.678 -10.348 1.00 48.24 N ATOM 1338 HA LYS A 100 22.715 10.955 -5.595 1.00 0.00 H ATOM 1339 HB2 LYS A 100 24.291 13.548 -5.611 1.00 0.00 H ATOM 1340 HB3 LYS A 100 25.036 11.933 -5.656 1.00 0.00 H ATOM 1341 HG2 LYS A 100 23.835 11.456 -7.758 1.00 0.00 H ATOM 1342 HG3 LYS A 100 23.144 13.095 -7.719 1.00 0.00 H ATOM 1343 HD2 LYS A 100 25.420 14.048 -7.805 1.00 0.00 H ATOM 1344 HD3 LYS A 100 26.098 12.405 -7.871 1.00 0.00 H ATOM 1345 HE2 LYS A 100 24.149 13.540 -9.901 1.00 0.00 H ATOM 1346 HE3 LYS A 100 25.002 11.981 -9.987 1.00 0.00 H ATOM 1347 HZ1 LYS A 100 26.277 14.668 -10.036 1.00 0.00 H ATOM 1348 HZ2 LYS A 100 27.093 13.179 -10.119 1.00 0.00 H ATOM 1349 HZ3 LYS A 100 26.048 13.647 -11.375 1.00 0.00 H ATOM 1350 H LYS A 100 21.892 13.711 -5.845 1.00 0.00 H ATOM 1351 N ARG A 101 23.110 12.836 -2.926 1.00 31.60 N ATOM 1352 CA ARG A 101 23.355 12.781 -1.489 1.00 31.19 C ATOM 1353 C ARG A 101 22.247 12.051 -0.731 1.00 31.72 C ATOM 1354 O ARG A 101 22.467 11.568 0.379 1.00 32.78 O ATOM 1355 CB ARG A 101 23.494 14.194 -0.911 1.00 31.54 C ATOM 1356 CG ARG A 101 24.662 14.997 -1.450 1.00 30.73 C ATOM 1357 CD ARG A 101 24.862 16.274 -0.643 1.00 30.30 C ATOM 1358 NE ARG A 101 23.732 17.194 -0.766 1.00 28.25 N ATOM 1359 CZ ARG A 101 23.623 18.117 -1.716 1.00 27.89 C ATOM 1360 NH1 ARG A 101 24.577 18.244 -2.628 1.00 25.61 N ATOM 1361 NH2 ARG A 101 22.560 18.912 -1.757 1.00 26.84 N ATOM 1362 HA ARG A 101 24.283 12.224 -1.359 1.00 0.00 H ATOM 1363 HB2 ARG A 101 22.577 14.741 -1.131 1.00 0.00 H ATOM 1364 HB3 ARG A 101 23.613 14.107 0.169 1.00 0.00 H ATOM 1365 HG2 ARG A 101 25.567 14.393 -1.393 1.00 0.00 H ATOM 1366 HG3 ARG A 101 24.466 15.259 -2.490 1.00 0.00 H ATOM 1367 HD2 ARG A 101 25.762 16.775 -0.998 1.00 0.00 H ATOM 1368 HD3 ARG A 101 24.985 16.009 0.407 1.00 0.00 H ATOM 1369 HE ARG A 101 22.966 17.122 -0.066 1.00 0.00 H ATOM 1370 HH12 ARG A 101 24.493 18.966 -3.372 1.00 0.00 H ATOM 1371 HH11 ARG A 101 25.410 17.622 -2.600 1.00 0.00 H ATOM 1372 HH22 ARG A 101 22.478 19.633 -2.502 1.00 0.00 H ATOM 1373 HH21 ARG A 101 21.809 18.814 -1.044 1.00 0.00 H ATOM 1374 H ARG A 101 22.802 13.732 -3.355 1.00 0.00 H ATOM 1375 N ASN A 102 21.056 11.980 -1.320 1.00 31.21 N ATOM 1376 CA ASN A 102 19.877 11.533 -0.580 1.00 31.78 C ATOM 1377 C ASN A 102 19.157 10.326 -1.173 1.00 32.81 C ATOM 1378 O ASN A 102 18.020 10.038 -0.802 1.00 33.12 O ATOM 1379 CB ASN A 102 18.882 12.688 -0.431 1.00 30.52 C ATOM 1380 CG ASN A 102 19.320 13.701 0.604 1.00 30.48 C ATOM 1381 OD1 ASN A 102 19.093 13.521 1.802 1.00 31.30 O ATOM 1382 ND2 ASN A 102 19.954 14.777 0.149 1.00 29.02 N ATOM 1383 HA ASN A 102 20.259 11.207 0.387 1.00 0.00 H ATOM 1384 HB2 ASN A 102 18.783 13.191 -1.393 1.00 0.00 H ATOM 1385 HB3 ASN A 102 17.915 12.281 -0.135 1.00 0.00 H ATOM 1386 HD22 ASN A 102 20.124 14.888 -0.871 1.00 0.00 H ATOM 1387 HD21 ASN A 102 20.280 15.508 0.813 1.00 0.00 H ATOM 1388 H ASN A 102 20.962 12.246 -2.321 1.00 0.00 H ATOM 1389 N LEU A 103 19.808 9.623 -2.092 1.00 34.10 N ATOM 1390 CA LEU A 103 19.227 8.408 -2.648 1.00 35.68 C ATOM 1391 C LEU A 103 20.176 7.225 -2.511 1.00 38.24 C ATOM 1392 O LEU A 103 21.318 7.277 -2.966 1.00 39.02 O ATOM 1393 CB LEU A 103 18.872 8.608 -4.123 1.00 34.44 C ATOM 1394 CG LEU A 103 17.709 9.551 -4.438 1.00 32.72 C ATOM 1395 CD1 LEU A 103 17.423 9.521 -5.931 1.00 32.87 C ATOM 1396 CD2 LEU A 103 16.478 9.129 -3.651 1.00 32.77 C ATOM 1397 HA LEU A 103 18.320 8.193 -2.083 1.00 0.00 H ATOM 1398 HB2 LEU A 103 19.757 8.999 -4.624 1.00 0.00 H ATOM 1399 HB3 LEU A 103 18.624 7.631 -4.537 1.00 0.00 H ATOM 1400 HG LEU A 103 17.973 10.568 -4.150 1.00 0.00 H ATOM 1401 HD21 LEU A 103 16.203 8.111 -3.927 1.00 0.00 H ATOM 1402 HD22 LEU A 103 16.698 9.170 -2.584 1.00 0.00 H ATOM 1403 HD23 LEU A 103 15.653 9.804 -3.879 1.00 0.00 H ATOM 1404 HD11 LEU A 103 18.310 9.842 -6.476 1.00 0.00 H ATOM 1405 HD12 LEU A 103 17.160 8.506 -6.229 1.00 0.00 H ATOM 1406 HD13 LEU A 103 16.594 10.193 -6.154 1.00 0.00 H ATOM 1407 H LEU A 103 20.742 9.943 -2.418 1.00 0.00 H ATOM 1408 N VAL A 104 19.695 6.160 -1.878 1.00 40.07 N ATOM 1409 CA VAL A 104 20.426 4.901 -1.835 1.00 41.62 C ATOM 1410 C VAL A 104 20.018 4.042 -3.025 1.00 42.42 C ATOM 1411 O VAL A 104 18.837 3.757 -3.219 1.00 42.10 O ATOM 1412 CB VAL A 104 20.127 4.125 -0.540 1.00 42.69 C ATOM 1413 CG1 VAL A 104 20.858 2.789 -0.556 1.00 44.15 C ATOM 1414 CG2 VAL A 104 20.552 4.946 0.664 1.00 42.11 C ATOM 1415 HA VAL A 104 21.492 5.126 -1.869 1.00 0.00 H ATOM 1416 HB VAL A 104 19.055 3.937 -0.474 1.00 0.00 H ATOM 1417 HG11 VAL A 104 20.523 2.203 -1.412 1.00 0.00 H ATOM 1418 HG12 VAL A 104 21.931 2.964 -0.631 1.00 0.00 H ATOM 1419 HG13 VAL A 104 20.641 2.246 0.364 1.00 0.00 H ATOM 1420 HG21 VAL A 104 21.621 5.149 0.605 1.00 0.00 H ATOM 1421 HG22 VAL A 104 20.002 5.887 0.673 1.00 0.00 H ATOM 1422 HG23 VAL A 104 20.337 4.389 1.576 1.00 0.00 H ATOM 1423 H VAL A 104 18.773 6.227 -1.401 1.00 0.00 H ATOM 1424 N ILE A 105 21.000 3.635 -3.821 1.00 43.65 N ATOM 1425 CA ILE A 105 20.728 2.853 -5.020 1.00 44.93 C ATOM 1426 C ILE A 105 20.539 1.387 -4.650 1.00 45.68 C ATOM 1427 O ILE A 105 21.374 0.799 -3.963 1.00 45.35 O ATOM 1428 CB ILE A 105 21.886 2.957 -6.031 1.00 45.16 C ATOM 1429 CG1 ILE A 105 22.224 4.427 -6.284 1.00 45.39 C ATOM 1430 CG2 ILE A 105 21.499 2.277 -7.335 1.00 45.53 C ATOM 1431 CD1 ILE A 105 21.037 5.263 -6.701 1.00 46.31 C ATOM 1432 HA ILE A 105 19.822 3.251 -5.476 1.00 0.00 H ATOM 1433 HB ILE A 105 22.764 2.458 -5.621 1.00 0.00 H ATOM 1434 HG12 ILE A 105 22.636 4.848 -5.367 1.00 0.00 H ATOM 1435 HG13 ILE A 105 22.974 4.476 -7.074 1.00 0.00 H ATOM 1436 HD11 ILE A 105 20.619 4.863 -7.625 1.00 0.00 H ATOM 1437 HD12 ILE A 105 20.281 5.235 -5.916 1.00 0.00 H ATOM 1438 HD13 ILE A 105 21.358 6.292 -6.862 1.00 0.00 H ATOM 1439 HG21 ILE A 105 21.281 1.226 -7.145 1.00 0.00 H ATOM 1440 HG22 ILE A 105 20.616 2.763 -7.749 1.00 0.00 H ATOM 1441 HG23 ILE A 105 22.324 2.356 -8.043 1.00 0.00 H ATOM 1442 H ILE A 105 21.983 3.879 -3.584 1.00 0.00 H ATOM 1443 N LEU A 106 19.436 0.803 -5.104 1.00 47.04 N ATOM 1444 CA LEU A 106 19.131 -0.587 -4.791 1.00 48.47 C ATOM 1445 C LEU A 106 19.430 -1.478 -5.991 1.00 49.71 C ATOM 1446 O LEU A 106 19.755 -0.927 -7.064 1.00 51.04 O ATOM 1447 CB LEU A 106 17.659 -0.724 -4.396 1.00 47.64 C ATOM 1448 CG LEU A 106 17.186 0.143 -3.226 1.00 46.77 C ATOM 1449 CD1 LEU A 106 15.694 -0.051 -3.022 1.00 46.45 C ATOM 1450 CD2 LEU A 106 17.952 -0.224 -1.966 1.00 46.36 C ATOM 1451 HA LEU A 106 19.756 -0.901 -3.955 1.00 0.00 H ATOM 1452 OXT LEU A 106 19.331 -2.715 -5.845 1.00 52.03 O ATOM 1453 HB2 LEU A 106 17.056 -0.465 -5.266 1.00 0.00 H ATOM 1454 HB3 LEU A 106 17.482 -1.766 -4.130 1.00 0.00 H ATOM 1455 HG LEU A 106 17.376 1.193 -3.450 1.00 0.00 H ATOM 1456 HD21 LEU A 106 17.778 -1.274 -1.729 1.00 0.00 H ATOM 1457 HD22 LEU A 106 19.017 -0.059 -2.129 1.00 0.00 H ATOM 1458 HD23 LEU A 106 17.609 0.398 -1.139 1.00 0.00 H ATOM 1459 HD11 LEU A 106 15.164 0.241 -3.929 1.00 0.00 H ATOM 1460 HD12 LEU A 106 15.492 -1.099 -2.803 1.00 0.00 H ATOM 1461 HD13 LEU A 106 15.359 0.567 -2.189 1.00 0.00 H ATOM 1462 H LEU A 106 18.777 1.349 -5.695 1.00 0.00 H TER 1463 LEU A 106 HETATM 1464 O HOH 1 0.658 25.026 -9.523 1.00 18.28 O HETATM 1465 O HOH 2 -1.471 24.791 -3.242 1.00 18.26 O HETATM 1466 O HOH 3 22.211 20.588 -3.936 1.00 22.67 O HETATM 1467 O HOH 4 19.500 26.474 -10.702 1.00 21.46 O HETATM 1468 O HOH 5 9.053 31.791 -16.985 1.00 24.20 O HETATM 1469 O HOH 6 14.900 19.006 5.072 1.00 27.02 O HETATM 1470 O HOH 7 22.044 22.461 -14.240 1.00 32.50 O HETATM 1471 O HOH 8 12.916 17.080 5.310 1.00 29.11 O HETATM 1472 O HOH 9 20.264 28.839 -12.112 1.00 35.72 O HETATM 1473 O HOH 10 4.482 26.817 1.330 1.00 33.72 O HETATM 1474 O HOH 11 8.717 30.450 -2.199 1.00 33.13 O HETATM 1475 O HOH 12 4.427 29.729 -0.833 1.00 35.93 O HETATM 1476 O HOH 13 25.413 22.400 -2.886 1.00 33.93 O HETATM 1477 O HOH 14 27.271 16.844 -2.881 1.00 45.67 O HETATM 1478 O HOH 15 7.330 31.751 -4.489 1.00 29.14 O HETATM 1479 O HOH 16 21.496 19.103 3.054 1.00 36.64 O HETATM 1480 O HOH 17 21.618 23.263 3.983 1.00 38.24 O HETATM 1481 O HOH 18 -0.066 30.704 -1.188 1.00 36.35 O HETATM 1482 O HOH 19 13.704 15.977 7.670 1.00 38.85 O HETATM 1483 O HOH 20 7.316 26.693 2.670 1.00 31.85 O HETATM 1484 O HOH 21 20.462 14.297 3.895 1.00 41.47 O HETATM 1485 O HOH 22 6.635 35.016 -6.469 1.00 36.35 O HETATM 1486 O HOH 23 15.700 26.517 3.344 1.00 30.84 O HETATM 1487 O HOH 24 12.723 25.006 6.718 1.00 45.41 O HETATM 1488 O HOH 25 24.852 20.438 -4.453 1.00 49.23 O HETATM 1489 O HOH 26 10.875 29.095 0.853 1.00 44.92 O HETATM 1490 O HOH 27 21.473 16.998 1.174 1.00 32.36 O HETATM 1491 O HOH 28 20.274 30.838 -4.353 1.00 44.33 O HETATM 1492 O HOH 29 20.702 27.396 -7.560 1.00 32.66 O HETATM 1493 O HOH 30 0.464 17.110 2.687 1.00 39.04 O HETATM 1494 O HOH 31 10.369 17.752 5.730 1.00 37.83 O HETATM 1495 O HOH 32 6.593 20.754 4.974 1.00 55.84 O HETATM 1496 O HOH 33 -0.022 16.353 -11.011 1.00 54.43 O HETATM 1497 O HOH 34 4.474 33.556 -16.710 1.00 52.75 O HETATM 1498 O HOH 35 24.739 12.704 2.520 1.00 55.08 O HETATM 1499 O HOH 36 18.157 20.694 8.079 1.00 43.51 O HETATM 1500 O HOH 37 2.250 37.631 -11.012 1.00 59.90 O HETATM 1501 O HOH 38 18.363 8.318 6.388 1.00 47.91 O HETATM 1502 O HOH 39 23.103 8.249 -4.704 1.00 41.19 O HETATM 1503 O HOH 40 25.918 14.972 -4.838 1.00 41.93 O HETATM 1504 O HOH 41 14.942 6.610 4.675 1.00 43.54 O HETATM 1505 O HOH 42 13.311 29.324 8.103 1.00 61.34 O HETATM 1506 O HOH 43 0.000 29.811 -7.742 1.00 30.28 O HETATM 1507 O HOH 44 15.451 5.253 -11.491 1.00 45.83 O HETATM 1508 O HOH 45 11.630 9.908 7.139 1.00 46.88 O HETATM 1509 O HOH 46 4.046 33.878 -4.051 1.00 53.13 O HETATM 1510 O HOH 47 17.485 18.286 5.959 1.00 40.05 O HETATM 1511 O HOH 48 25.466 18.502 -12.106 1.00 60.82 O HETATM 1512 O HOH 49 7.712 6.484 6.549 1.00 60.11 O HETATM 1513 O HOH 50 12.420 34.614 -18.226 1.00 54.38 O HETATM 1514 O HOH 51 16.160 16.869 8.359 1.00 36.68 O HETATM 1515 O HOH 52 21.878 26.524 -9.639 1.00 46.46 O HETATM 1516 O HOH 53 -2.334 31.122 0.231 1.00 38.47 O HETATM 1517 O HOH 54 6.990 30.468 -0.372 1.00 39.00 O HETATM 1518 O HOH 55 23.165 23.591 6.215 1.00 48.36 O HETATM 1519 O HOH 56 28.252 14.820 -0.758 1.00 44.85 O HETATM 1520 O HOH 57 23.599 21.188 5.258 1.00 47.68 O HETATM 1521 O HOH 58 10.957 18.948 8.076 1.00 53.10 O HETATM 1522 O HOH 59 22.923 15.179 2.862 1.00 49.93 O HETATM 1523 O HOH 60 17.672 1.710 -15.743 1.00 57.12 O HETATM 1524 O HOH 61 9.816 34.120 -18.028 1.00 43.16 O HETATM 1525 O HOH 62 13.829 6.559 -13.332 1.00 45.71 O HETATM 1526 O HOH 63 16.982 33.244 -3.114 1.00 49.17 O HETATM 1527 O HOH 64 2.681 24.016 4.398 1.00 48.19 O HETATM 1528 O HOH 65 15.678 21.255 -16.929 1.00 45.45 O HETATM 1529 O HOH 66 -0.277 33.238 -6.463 1.00 52.43 O HETATM 1530 O HOH 67 2.279 10.194 2.109 1.00 46.65 O HETATM 1531 O HOH 68 0.643 12.773 -4.808 1.00 45.01 O HETATM 1532 O HOH 69 4.214 24.794 6.372 1.00 55.27 O HETATM 1533 O HOH 70 0.913 34.519 -11.159 1.00 54.09 O HETATM 1534 O HOH 71 6.867 24.688 5.838 1.00 49.11 O HETATM 1535 O HOH 72 7.516 0.856 -1.450 1.00 46.46 O HETATM 1536 O HOH 73 3.834 21.676 3.771 1.00 47.51 O HETATM 1537 O HOH 74 4.509 38.093 -6.622 1.00 55.81 O HETATM 1538 O HOH 75 23.544 21.229 -15.993 1.00 54.56 O HETATM 1539 O HOH 76 13.498 34.812 -2.882 1.00 46.78 O HETATM 1540 O HOH 77 2.022 29.796 0.867 1.00 54.22 O HETATM 1541 O HOH 78 3.264 37.791 -13.498 1.00 56.14 O HETATM 1542 O HOH 79 16.401 29.804 9.836 1.00 47.85 O HETATM 1543 O HOH 80 8.469 28.873 1.768 1.00 45.73 O HETATM 1544 O HOH 81 15.865 32.346 7.277 1.00 49.51 O HETATM 1545 O HOH 82 23.547 8.781 -1.112 1.00 49.46 O HETATM 1546 O HOH 83 29.156 12.899 -9.522 1.00 51.43 O HETATM 1547 O HOH 84 0.000 11.983 -7.741 1.00 30.18 O HETATM 1548 O HOH 85 9.115 5.357 -13.128 1.00 53.72 O HETATM 1549 O HOH 86 9.944 37.406 -10.675 1.00 51.14 O HETATM 1550 O HOH 87 28.777 14.386 -7.212 1.00 53.73 O HETATM 1551 O HOH 88 -0.219 14.489 1.464 1.00 53.35 O HETATM 1552 O HOH 89 12.675 35.873 -10.908 1.00 48.46 O HETATM 1553 O HOH 90 0.907 31.060 -5.636 1.00 41.59 O HETATM 1554 O HOH 91 8.700 19.377 4.110 1.00 44.11 O HETATM 1555 O HOH 92 25.062 19.089 -14.668 1.00 53.86 O HETATM 1556 O HOH 93 0.588 33.298 -2.399 1.00 53.46 O HETATM 1557 O HOH 94 27.808 22.605 -3.850 1.00 58.04 O HETATM 1558 O HOH 95 0.000 35.631 -7.745 1.00 49.74 O HETATM 1559 O HOH 96 7.668 28.556 6.825 1.00 49.71 O HETATM 1560 O HOH 97 6.044 27.253 5.203 1.00 43.16 O HETATM 1561 O HOH 98 8.241 30.941 3.946 1.00 46.90 O HETATM 1562 O HOH 99 17.970 24.208 -19.683 1.00 48.04 O HETATM 1563 O HOH 100 27.502 14.544 1.626 1.00 51.82 O HETATM 1564 O HOH 101 27.691 12.568 -1.790 1.00 52.33 O HETATM 1565 O HOH 102 6.481 31.547 -16.214 1.00 20.93 O HETATM 1566 O HOH 103 -0.279 24.086 -16.208 1.00 21.10 O HETATM 1567 O HOH 104 5.641 20.505 -20.281 1.00 29.44 O HETATM 1568 O HOH 105 11.953 22.733 -17.866 1.00 27.01 O HETATM 1569 O HOH 106 1.192 28.169 -20.126 1.00 38.76 O HETATM 1570 O HOH 107 6.474 14.512 -18.076 1.00 39.85 O HETATM 1571 O HOH 108 2.241 20.019 -17.089 1.00 39.33 O HETATM 1572 O HOH 109 1.413 26.303 -23.032 1.00 53.95 O HETATM 1573 O HOH 110 9.807 25.302 -23.491 1.00 45.54 O HETATM 1574 O HOH 111 9.740 29.420 -21.547 1.00 47.65 O HETATM 1575 O HOH 112 3.804 33.949 -19.455 1.00 52.16 O HETATM 1576 O HOH 113 2.979 19.685 -19.700 1.00 36.06 O HETATM 1577 O HOH 114 2.121 16.768 -16.433 1.00 38.39 O HETATM 1578 O HOH 115 6.755 17.919 -21.116 1.00 39.04 O HETATM 1579 O HOH 116 -1.237 27.448 -19.631 1.00 39.02 O HETATM 1580 O HOH 117 -2.047 25.491 -17.842 1.00 34.96 O HETATM 1581 O HOH 118 11.396 16.528 -21.570 1.00 55.18 O HETATM 1582 O HOH 119 14.074 22.023 -19.082 1.00 39.69 O HETATM 1583 O HOH 120 1.838 30.452 -18.375 1.00 40.63 O HETATM 1584 O HOH 121 12.214 25.096 -20.464 1.00 55.99 O HETATM 1585 O HOH 122 1.228 14.726 -14.463 1.00 48.61 O HETATM 1586 O HOH 123 2.973 16.867 -19.793 1.00 51.18 O HETATM 1587 O HOH 124 3.584 23.352 -22.221 1.00 46.13 O HETATM 1588 O HOH 125 -0.078 21.236 -16.896 1.00 30.88 O HETATM 1589 C ACE A 126 5.473 30.843 -19.598 1.00 0.18 C HETATM 1590 O ACE A 126 4.278 31.127 -19.639 1.00 -0.40 O HETATM 1591 CH3 ACE A 126 6.533 31.886 -19.906 1.00 0.03 C HETATM 1592 H1 ACE A 126 7.531 31.433 -19.814 1.00 0.05 H HETATM 1593 H2 ACE A 126 6.443 32.721 -19.196 1.00 0.05 H HETATM 1594 H3 ACE A 126 6.393 32.260 -20.931 1.00 0.05 H HETATM 1595 N ACE A 126 5.908 29.628 -19.285 1.00 -0.27 N HETATM 1596 CA ACE A 126 4.996 28.524 -19.016 1.00 0.13 C HETATM 1597 C ACE A 126 4.619 28.470 -17.535 1.00 0.20 C HETATM 1598 O ACE A 126 5.096 29.271 -16.735 1.00 -0.39 O HETATM 1599 N ACE A 126 3.755 27.527 -17.179 1.00 -0.26 N HETATM 1600 CA ACE A 126 3.419 27.308 -15.777 1.00 0.16 C HETATM 1601 C ACE A 126 4.468 26.401 -15.154 1.00 0.21 C HETATM 1602 O ACE A 126 5.183 25.690 -15.863 1.00 -0.39 O HETATM 1603 N ACE A 126 4.570 26.418 -13.827 1.00 -0.26 N HETATM 1604 CA ACE A 126 5.533 25.546 -13.175 1.00 0.14 C HETATM 1605 C ACE A 126 5.290 24.082 -13.538 1.00 0.20 C HETATM 1606 O ACE A 126 6.235 23.340 -13.818 1.00 -0.39 O HETATM 1607 NAC ACE A 126 4.024 23.663 -13.538 1.00 -0.27 N HETATM 1608 CAF ACE A 126 3.672 22.303 -13.939 1.00 0.13 C HETATM 1609 CAE ACE A 126 4.344 21.966 -15.263 1.00 0.23 C HETATM 1610 OAD ACE A 126 4.939 20.902 -15.416 1.00 -0.34 O HETATM 1611 N ACE A 126 4.242 22.880 -16.221 1.00 -0.26 N HETATM 1612 CA ACE A 126 4.761 22.617 -17.560 1.00 0.13 C HETATM 1613 C ACE A 126 6.285 22.549 -17.574 1.00 0.20 C HETATM 1614 O ACE A 126 6.858 21.685 -18.232 1.00 -0.39 O HETATM 1615 N ACE A 126 6.941 23.440 -16.836 1.00 -0.26 N HETATM 1616 CA ACE A 126 8.399 23.378 -16.739 1.00 0.14 C HETATM 1617 C ACE A 126 8.882 22.094 -16.084 1.00 0.21 C HETATM 1618 O ACE A 126 9.840 21.472 -16.552 1.00 -0.39 O HETATM 1619 N ACE A 126 8.234 21.693 -14.995 1.00 -0.26 N HETATM 1620 CA ACE A 126 8.687 20.500 -14.297 1.00 0.14 C HETATM 1621 C ACE A 126 8.431 19.251 -15.131 1.00 0.21 C HETATM 1622 O ACE A 126 9.225 18.312 -15.118 1.00 -0.39 O HETATM 1623 N ACE A 126 7.321 19.243 -15.861 1.00 -0.26 N HETATM 1624 CA ACE A 126 6.995 18.105 -16.713 1.00 0.13 C HETATM 1625 C ACE A 126 8.103 17.886 -17.744 1.00 0.20 C HETATM 1626 O ACE A 126 8.454 16.745 -18.058 1.00 -0.39 O HETATM 1627 N ACE A 126 8.652 18.979 -18.263 1.00 -0.26 N HETATM 1628 CA ACE A 126 9.760 18.901 -19.217 1.00 0.13 C HETATM 1629 C ACE A 126 10.990 18.307 -18.552 1.00 0.20 C HETATM 1630 O ACE A 126 11.710 17.503 -19.145 1.00 -0.39 O HETATM 1631 N ACE A 126 11.234 18.721 -17.316 1.00 -0.26 N HETATM 1632 CA ACE A 126 12.402 18.269 -16.580 1.00 0.13 C HETATM 1633 CB ACE A 126 12.563 19.099 -15.306 1.00 -0.01 C HETATM 1634 CG ACE A 126 13.865 18.929 -14.523 1.00 -0.04 C HETATM 1635 CD1 ACE A 126 14.123 19.779 -13.308 1.00 -0.05 C HETATM 1636 CE ACE A 126 14.284 18.500 -12.428 1.00 -0.05 C HETATM 1637 CD2 ACE A 126 13.997 17.659 -13.713 1.00 -0.05 C HETATM 1638 H93 ACE A 126 14.833 17.015 -14.023 1.00 0.03 H HETATM 1639 H94 ACE A 126 13.074 17.063 -13.661 1.00 0.03 H HETATM 1640 H95 ACE A 126 13.531 18.393 -11.633 1.00 0.03 H HETATM 1641 H96 ACE A 126 15.289 18.359 -12.003 1.00 0.03 H HETATM 1642 H91 ACE A 126 13.274 20.416 -13.020 1.00 0.03 H HETATM 1643 H92 ACE A 126 15.034 20.392 -13.377 1.00 0.03 H HETATM 1644 H90 ACE A 126 14.681 19.032 -15.254 1.00 0.03 H HETATM 1645 H88 ACE A 126 11.735 18.835 -14.632 1.00 0.03 H HETATM 1646 H89 ACE A 126 12.483 20.159 -15.589 1.00 0.03 H HETATM 1647 C1 ACE A 126 12.257 16.788 -16.238 1.00 0.20 C HETATM 1648 O ACE A 126 13.209 16.017 -16.368 1.00 -0.39 O HETATM 1649 N ACE A 126 11.059 16.396 -15.816 1.00 -0.27 N HETATM 1650 CA ACE A 126 10.776 15.005 -15.478 1.00 0.13 C HETATM 1651 C ACE A 126 11.002 14.104 -16.689 1.00 0.23 C HETATM 1652 O ACE A 126 11.633 13.051 -16.585 1.00 -0.34 O HETATM 1653 N ACE A 126 10.488 14.529 -17.838 1.00 -0.26 N HETATM 1654 CA ACE A 126 10.597 13.748 -19.064 1.00 0.15 C HETATM 1655 C ACE A 126 12.052 13.570 -19.479 1.00 0.21 C HETATM 1656 O ACE A 126 12.406 12.574 -20.114 1.00 -0.39 O HETATM 1657 N ACE A 126 12.892 14.538 -19.123 1.00 -0.26 N HETATM 1658 CA ACE A 126 14.304 14.487 -19.483 1.00 0.13 C HETATM 1659 C ACE A 126 15.040 13.478 -18.610 1.00 0.20 C HETATM 1660 O ACE A 126 15.724 12.590 -19.115 1.00 -0.39 O HETATM 1661 N ACE A 126 14.892 13.616 -17.297 1.00 -0.27 N HETATM 1662 CA ACE A 126 15.552 12.719 -16.357 1.00 0.09 C HETATM 1663 C ACE A 126 14.930 11.328 -16.420 1.00 0.06 C HETATM 1664 O ACE A 126 15.660 10.375 -16.768 1.00 -0.57 O HETATM 1665 OXT ACE A 126 13.722 11.208 -16.125 1.00 -0.57 O HETATM 1666 CB ACE A 126 15.446 13.276 -14.943 1.00 -0.03 C HETATM 1667 H120 ACE A 126 15.947 12.593 -14.241 1.00 0.03 H HETATM 1668 H121 ACE A 126 14.386 13.374 -14.666 1.00 0.03 H HETATM 1669 H122 ACE A 126 15.929 14.263 -14.901 1.00 0.03 H HETATM 1670 H119 ACE A 126 16.615 12.643 -16.629 1.00 0.07 H HETATM 1671 H118 ACE A 126 14.314 14.353 -16.945 1.00 0.19 H HETATM 1672 CB ACE A 126 14.931 15.867 -19.333 1.00 -0.02 C HETATM 1673 H115 ACE A 126 15.995 15.818 -19.607 1.00 0.03 H HETATM 1674 H116 ACE A 126 14.836 16.201 -18.289 1.00 0.03 H HETATM 1675 H117 ACE A 126 14.415 16.578 -19.995 1.00 0.03 H HETATM 1676 H114 ACE A 126 14.389 14.172 -20.534 1.00 0.08 H HETATM 1677 H113 ACE A 126 12.548 15.316 -18.598 1.00 0.19 H HETATM 1678 CB ACE A 126 9.823 14.429 -20.196 1.00 0.08 C HETATM 1679 OG ACE A 126 8.430 14.428 -19.935 1.00 -0.39 O HETATM 1680 H112 ACE A 126 8.260 14.896 -19.126 1.00 0.21 H HETATM 1681 H110 ACE A 126 10.013 13.890 -21.136 1.00 0.06 H HETATM 1682 H111 ACE A 126 10.169 15.469 -20.293 1.00 0.06 H HETATM 1683 H109 ACE A 126 10.160 12.755 -18.884 1.00 0.08 H HETATM 1684 H108 ACE A 126 10.013 15.409 -17.863 1.00 0.19 H HETATM 1685 CB ACE A 126 9.291 15.019 -15.109 1.00 -0.02 C HETATM 1686 CG ACE A 126 8.750 13.660 -14.643 1.00 -0.04 C HETATM 1687 CD ACE A 126 7.218 13.700 -14.530 1.00 -0.04 C HETATM 1688 CE ACE A 126 6.784 14.652 -13.447 1.00 -0.10 C HETATM 1689 CAT ACE A 126 5.931 15.660 -13.675 1.00 -0.10 C HETATM 1690 CAS ACE A 126 5.488 16.603 -12.583 1.00 -0.04 C HETATM 1691 CAR ACE A 126 3.981 16.876 -12.676 1.00 -0.05 C HETATM 1692 CAQ ACE A 126 3.531 17.781 -11.523 1.00 -0.05 C HETATM 1693 CAP ACE A 126 4.189 19.167 -11.628 1.00 -0.05 C HETATM 1694 CAO ACE A 126 3.614 19.963 -12.817 1.00 -0.05 C HETATM 1695 CAB ACE A 126 4.121 21.418 -12.773 1.00 -0.02 C HETATM 1696 H34 ACE A 126 3.760 21.876 -11.840 1.00 0.03 H HETATM 1697 H35 ACE A 126 5.221 21.395 -12.768 1.00 0.03 H HETATM 1698 H37 ACE A 126 3.935 19.494 -13.759 1.00 0.03 H HETATM 1699 H38 ACE A 126 2.515 19.958 -12.761 1.00 0.03 H HETATM 1700 H39 ACE A 126 4.003 19.725 -10.698 1.00 0.03 H HETATM 1701 H40 ACE A 126 5.272 19.041 -11.770 1.00 0.03 H HETATM 1702 H41 ACE A 126 2.438 17.897 -11.561 1.00 0.03 H HETATM 1703 H42 ACE A 126 3.817 17.317 -10.568 1.00 0.03 H HETATM 1704 H43 ACE A 126 3.761 17.371 -13.633 1.00 0.03 H HETATM 1705 H44 ACE A 126 3.436 15.922 -12.623 1.00 0.03 H HETATM 1706 H45 ACE A 126 5.713 16.153 -11.605 1.00 0.04 H HETATM 1707 H46 ACE A 126 6.033 17.553 -12.684 1.00 0.04 H HETATM 1708 H47 ACE A 126 5.544 15.804 -14.683 1.00 0.04 H HETATM 1709 H102 ACE A 126 7.178 14.516 -12.441 1.00 0.04 H HETATM 1710 H100 ACE A 126 6.795 14.030 -15.490 1.00 0.04 H HETATM 1711 H101 ACE A 126 6.848 12.692 -14.293 1.00 0.04 H HETATM 1712 H103 ACE A 126 9.179 13.418 -13.660 1.00 0.03 H HETATM 1713 H104 ACE A 126 9.039 12.887 -15.370 1.00 0.03 H HETATM 1714 H98 ACE A 126 8.718 15.335 -15.993 1.00 0.03 H HETATM 1715 H99 ACE A 126 9.143 15.747 -14.297 1.00 0.03 H HETATM 1716 CB1 ACE A 126 11.658 14.555 -14.314 1.00 -0.03 C HETATM 1717 H105 ACE A 126 11.435 13.506 -14.069 1.00 0.02 H HETATM 1718 H106 ACE A 126 11.457 15.187 -13.436 1.00 0.02 H HETATM 1719 H107 ACE A 126 12.716 14.648 -14.599 1.00 0.02 H HETATM 1720 H97 ACE A 126 10.330 17.075 -15.727 1.00 0.18 H HETATM 1721 H87 ACE A 126 13.295 18.403 -17.208 1.00 0.08 H HETATM 1722 H86 ACE A 126 10.599 19.359 -16.881 1.00 0.19 H HETATM 1723 CB ACE A 126 10.126 20.289 -19.742 1.00 0.00 C HETATM 1724 CG ACE A 126 9.065 20.967 -20.577 1.00 0.04 C HETATM 1725 CD ACE A 126 9.537 22.306 -21.113 1.00 0.17 C HETATM 1726 OE1 ACE A 126 9.041 22.796 -22.128 1.00 -0.40 O HETATM 1727 NE2 ACE A 126 10.507 22.906 -20.430 1.00 -0.30 N HETATM 1728 H84 ACE A 126 10.860 23.791 -20.735 1.00 0.18 H HETATM 1729 H85 ACE A 126 10.884 22.473 -19.611 1.00 0.18 H HETATM 1730 H82 ACE A 126 8.172 21.128 -19.955 1.00 0.05 H HETATM 1731 H83 ACE A 126 8.809 20.315 -21.425 1.00 0.05 H HETATM 1732 H80 ACE A 126 11.031 20.191 -20.359 1.00 0.03 H HETATM 1733 H81 ACE A 126 10.340 20.933 -18.877 1.00 0.03 H HETATM 1734 H79 ACE A 126 9.457 18.263 -20.060 1.00 0.08 H HETATM 1735 H78 ACE A 126 8.300 19.876 -17.996 1.00 0.19 H HETATM 1736 CB ACE A 126 5.669 18.343 -17.415 1.00 -0.02 C HETATM 1737 H75 ACE A 126 5.433 17.480 -18.054 1.00 0.03 H HETATM 1738 H76 ACE A 126 5.739 19.250 -18.034 1.00 0.03 H HETATM 1739 H77 ACE A 126 4.875 18.472 -16.665 1.00 0.03 H HETATM 1740 H74 ACE A 126 6.909 17.205 -16.087 1.00 0.08 H HETATM 1741 H73 ACE A 126 6.701 20.027 -15.826 1.00 0.19 H HETATM 1742 CB ACE A 126 7.994 20.359 -12.944 1.00 0.00 C HETATM 1743 CG ACE A 126 8.737 19.433 -12.039 1.00 -0.04 C HETATM 1744 CD1 ACE A 126 8.515 18.096 -11.864 1.00 0.02 C HETATM 1745 NE1 ACE A 126 9.435 17.580 -10.980 1.00 -0.29 N HETATM 1746 CE2 ACE A 126 10.268 18.587 -10.565 1.00 0.06 C HETATM 1747 CD2 ACE A 126 9.859 19.766 -11.213 1.00 -0.02 C HETATM 1748 CE3 ACE A 126 10.555 20.954 -10.958 1.00 -0.07 C HETATM 1749 CZ3 ACE A 126 11.625 20.920 -10.073 1.00 -0.08 C HETATM 1750 CH2 ACE A 126 12.004 19.729 -9.444 1.00 -0.08 C HETATM 1751 CZ2 ACE A 126 11.341 18.555 -9.677 1.00 -0.04 C HETATM 1752 H70 ACE A 126 11.639 17.634 -9.189 1.00 0.05 H HETATM 1753 H72 ACE A 126 12.842 19.737 -8.756 1.00 0.05 H HETATM 1754 H71 ACE A 126 12.175 21.831 -9.866 1.00 0.05 H HETATM 1755 H69 ACE A 126 10.265 21.880 -11.441 1.00 0.05 H HETATM 1756 H68 ACE A 126 9.489 16.596 -10.679 1.00 0.22 H HETATM 1757 H67 ACE A 126 7.727 17.524 -12.352 1.00 0.08 H HETATM 1758 H65 ACE A 126 6.979 19.965 -13.102 1.00 0.04 H HETATM 1759 H66 ACE A 126 7.933 21.349 -12.469 1.00 0.04 H HETATM 1760 H64 ACE A 126 9.770 20.591 -14.127 1.00 0.08 H HETATM 1761 H63 ACE A 126 7.444 22.206 -14.659 1.00 0.19 H HETATM 1762 CB ACE A 126 8.946 24.569 -15.955 1.00 0.02 C HETATM 1763 CG ACE A 126 8.952 25.849 -16.741 1.00 -0.05 C HETATM 1764 CD1 ACE A 126 8.286 26.974 -16.279 1.00 -0.07 C HETATM 1765 CE1 ACE A 126 8.291 28.147 -16.998 1.00 -0.04 C HETATM 1766 CZ ACE A 126 8.967 28.207 -18.198 1.00 0.08 C HETATM 1767 CE2 ACE A 126 9.636 27.107 -18.678 1.00 -0.04 C HETATM 1768 CD2 ACE A 126 9.628 25.936 -17.953 1.00 -0.07 C HETATM 1769 H59 ACE A 126 10.157 25.069 -18.333 1.00 0.05 H HETATM 1770 H61 ACE A 126 10.167 27.160 -19.622 1.00 0.05 H HETATM 1771 OH ACE A 126 8.963 29.375 -18.926 1.00 -0.34 O HETATM 1772 H62 ACE A 126 8.569 29.216 -19.776 1.00 0.25 H HETATM 1773 H60 ACE A 126 7.767 29.019 -16.623 1.00 0.05 H HETATM 1774 H58 ACE A 126 7.753 26.929 -15.336 1.00 0.05 H HETATM 1775 H56 ACE A 126 9.978 24.342 -15.651 1.00 0.05 H HETATM 1776 H57 ACE A 126 8.323 24.713 -15.060 1.00 0.05 H HETATM 1777 H55 ACE A 126 8.806 23.417 -17.760 1.00 0.08 H HETATM 1778 H54 ACE A 126 6.437 24.152 -16.347 1.00 0.19 H HETATM 1779 CB ACE A 126 4.260 23.678 -18.537 1.00 -0.00 C HETATM 1780 CG ACE A 126 2.752 23.596 -18.743 1.00 0.00 C HETATM 1781 CD ACE A 126 2.197 24.714 -19.595 1.00 0.04 C HETATM 1782 OE1 ACE A 126 2.573 25.885 -19.379 1.00 -0.57 O HETATM 1783 OE2 ACE A 126 1.370 24.419 -20.485 1.00 -0.57 O HETATM 1784 H52 ACE A 126 2.264 23.634 -17.758 1.00 0.04 H HETATM 1785 H53 ACE A 126 2.519 22.638 -19.231 1.00 0.04 H HETATM 1786 H50 ACE A 126 4.760 23.533 -19.506 1.00 0.03 H HETATM 1787 H51 ACE A 126 4.511 24.673 -18.141 1.00 0.03 H HETATM 1788 H49 ACE A 126 4.376 21.640 -17.887 1.00 0.08 H HETATM 1789 H48 ACE A 126 3.805 23.758 -16.023 1.00 0.19 H HETATM 1790 CAA ACE A 126 2.158 22.173 -14.090 1.00 -0.03 C HETATM 1791 H31 ACE A 126 1.672 22.416 -13.134 1.00 0.02 H HETATM 1792 H32 ACE A 126 1.905 21.142 -14.378 1.00 0.02 H HETATM 1793 H33 ACE A 126 1.806 22.867 -14.867 1.00 0.02 H HETATM 1794 H36 ACE A 126 3.300 24.293 -13.258 1.00 0.18 H HETATM 1795 CB ACE A 126 5.486 25.710 -11.649 1.00 0.02 C HETATM 1796 CG ACE A 126 6.314 24.692 -10.925 1.00 -0.04 C HETATM 1797 CD1 ACE A 126 7.701 24.788 -10.924 1.00 -0.06 C HETATM 1798 CE1 ACE A 126 8.483 23.799 -10.351 1.00 -0.07 C HETATM 1799 CZ ACE A 126 7.884 22.695 -9.767 1.00 -0.07 C HETATM 1800 CE2 ACE A 126 6.497 22.591 -9.754 1.00 -0.07 C HETATM 1801 CD2 ACE A 126 5.720 23.588 -10.332 1.00 -0.06 C HETATM 1802 H27 ACE A 126 4.639 23.502 -10.319 1.00 0.06 H HETATM 1803 H29 ACE A 126 6.022 21.732 -9.293 1.00 0.06 H HETATM 1804 H30 ACE A 126 8.493 21.916 -9.322 1.00 0.06 H HETATM 1805 H28 ACE A 126 9.563 23.889 -10.360 1.00 0.06 H HETATM 1806 H26 ACE A 126 8.177 25.649 -11.378 1.00 0.06 H HETATM 1807 H24 ACE A 126 4.442 25.612 -11.318 1.00 0.05 H HETATM 1808 H25 ACE A 126 5.860 26.712 -11.393 1.00 0.05 H HETATM 1809 H23 ACE A 126 6.538 25.827 -13.523 1.00 0.08 H HETATM 1810 H22 ACE A 126 3.990 27.025 -13.284 1.00 0.19 H HETATM 1811 CB ACE A 126 2.045 26.633 -15.616 1.00 0.09 C HETATM 1812 OG1 ACE A 126 2.089 25.311 -16.164 1.00 -0.39 O HETATM 1813 H18 ACE A 126 1.239 24.899 -16.062 1.00 0.21 H HETATM 1814 CG2 ACE A 126 0.967 27.448 -16.333 1.00 -0.03 C HETATM 1815 H19 ACE A 126 -0.008 26.954 -16.210 1.00 0.03 H HETATM 1816 H20 ACE A 126 1.210 27.517 -17.404 1.00 0.03 H HETATM 1817 H21 ACE A 126 0.924 28.459 -15.901 1.00 0.03 H HETATM 1818 H17 ACE A 126 1.798 26.573 -14.546 1.00 0.06 H HETATM 1819 H16 ACE A 126 3.409 28.277 -15.256 1.00 0.08 H HETATM 1820 H15 ACE A 126 3.328 26.959 -17.883 1.00 0.19 H HETATM 1821 CB ACE A 126 5.650 27.204 -19.425 1.00 -0.01 C HETATM 1822 CG ACE A 126 6.121 27.128 -20.880 1.00 -0.04 C HETATM 1823 CD1 ACE A 126 6.803 25.791 -21.139 1.00 -0.06 C HETATM 1824 H9 ACE A 126 7.137 25.747 -22.186 1.00 0.02 H HETATM 1825 H10 ACE A 126 6.093 24.974 -20.946 1.00 0.02 H HETATM 1826 H11 ACE A 126 7.672 25.687 -20.472 1.00 0.02 H HETATM 1827 CD2 ACE A 126 4.927 27.311 -21.801 1.00 -0.06 C HETATM 1828 H12 ACE A 126 4.451 28.282 -21.596 1.00 0.02 H HETATM 1829 H13 ACE A 126 4.202 26.503 -21.626 1.00 0.02 H HETATM 1830 H14 ACE A 126 5.263 27.281 -22.848 1.00 0.02 H HETATM 1831 H8 ACE A 126 6.843 27.936 -21.067 1.00 0.03 H HETATM 1832 H6 ACE A 126 4.919 26.398 -19.262 1.00 0.03 H HETATM 1833 H7 ACE A 126 6.524 27.043 -18.776 1.00 0.03 H HETATM 1834 H5 ACE A 126 4.081 28.670 -19.609 1.00 0.08 H HETATM 1835 H4 ACE A 126 6.893 29.465 -19.232 1.00 0.19 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 1589 1590 1591 1595 CONECT 1590 1589 CONECT 1591 1589 1592 1593 1594 CONECT 1592 1591 CONECT 1593 1591 CONECT 1594 1591 CONECT 1595 1589 1596 1835 CONECT 1596 1595 1597 1821 1834 CONECT 1597 1596 1598 1599 CONECT 1598 1597 CONECT 1599 1597 1600 1820 CONECT 1600 1599 1601 1811 1819 CONECT 1601 1600 1602 1603 CONECT 1602 1601 CONECT 1603 1601 1604 1810 CONECT 1604 1603 1605 1795 1809 CONECT 1605 1604 1606 1607 CONECT 1606 1605 CONECT 1607 1605 1608 1794 CONECT 1608 1607 1609 1695 1790 CONECT 1609 1608 1610 1611 CONECT 1610 1609 CONECT 1611 1609 1612 1789 CONECT 1612 1611 1613 1779 1788 CONECT 1613 1612 1614 1615 CONECT 1614 1613 CONECT 1615 1613 1616 1778 CONECT 1616 1615 1617 1762 1777 CONECT 1617 1616 1618 1619 CONECT 1618 1617 CONECT 1619 1617 1620 1761 CONECT 1620 1619 1621 1742 1760 CONECT 1621 1620 1622 1623 CONECT 1622 1621 CONECT 1623 1621 1624 1741 CONECT 1624 1623 1625 1736 1740 CONECT 1625 1624 1626 1627 CONECT 1626 1625 CONECT 1627 1625 1628 1735 CONECT 1628 1627 1629 1723 1734 CONECT 1629 1628 1630 1631 CONECT 1630 1629 CONECT 1631 1629 1632 1722 CONECT 1632 1631 1633 1647 1721 CONECT 1633 1632 1634 1645 1646 CONECT 1634 1633 1635 1637 1644 CONECT 1635 1634 1636 1642 1643 CONECT 1636 1635 1637 1640 1641 CONECT 1637 1634 1636 1638 1639 CONECT 1638 1637 CONECT 1639 1637 CONECT 1640 1636 CONECT 1641 1636 CONECT 1642 1635 CONECT 1643 1635 CONECT 1644 1634 CONECT 1645 1633 CONECT 1646 1633 CONECT 1647 1632 1648 1649 CONECT 1648 1647 CONECT 1649 1647 1650 1720 CONECT 1650 1649 1651 1685 1716 CONECT 1651 1650 1652 1653 CONECT 1652 1651 CONECT 1653 1651 1654 1684 CONECT 1654 1653 1655 1678 1683 CONECT 1655 1654 1656 1657 CONECT 1656 1655 CONECT 1657 1655 1658 1677 CONECT 1658 1657 1659 1672 1676 CONECT 1659 1658 1660 1661 CONECT 1660 1659 CONECT 1661 1659 1662 1671 CONECT 1662 1661 1663 1666 1670 CONECT 1663 1662 1664 1665 CONECT 1664 1663 CONECT 1665 1663 CONECT 1666 1662 1667 1668 1669 CONECT 1667 1666 CONECT 1668 1666 CONECT 1669 1666 CONECT 1670 1662 CONECT 1671 1661 CONECT 1672 1658 1673 1674 1675 CONECT 1673 1672 CONECT 1674 1672 CONECT 1675 1672 CONECT 1676 1658 CONECT 1677 1657 CONECT 1678 1654 1679 1681 1682 CONECT 1679 1678 1680 CONECT 1680 1679 CONECT 1681 1678 CONECT 1682 1678 CONECT 1683 1654 CONECT 1684 1653 CONECT 1685 1650 1686 1714 1715 CONECT 1686 1685 1687 1712 1713 CONECT 1687 1686 1688 1710 1711 CONECT 1688 1687 1689 1709 CONECT 1689 1688 1690 1708 CONECT 1690 1689 1691 1706 1707 CONECT 1691 1690 1692 1704 1705 CONECT 1692 1691 1693 1702 1703 CONECT 1693 1692 1694 1700 1701 CONECT 1694 1693 1695 1698 1699 CONECT 1695 1608 1694 1696 1697 CONECT 1696 1695 CONECT 1697 1695 CONECT 1698 1694 CONECT 1699 1694 CONECT 1700 1693 CONECT 1701 1693 CONECT 1702 1692 CONECT 1703 1692 CONECT 1704 1691 CONECT 1705 1691 CONECT 1706 1690 CONECT 1707 1690 CONECT 1708 1689 CONECT 1709 1688 CONECT 1710 1687 CONECT 1711 1687 CONECT 1712 1686 CONECT 1713 1686 CONECT 1714 1685 CONECT 1715 1685 CONECT 1716 1650 1717 1718 1719 CONECT 1717 1716 CONECT 1718 1716 CONECT 1719 1716 CONECT 1720 1649 CONECT 1721 1632 CONECT 1722 1631 CONECT 1723 1628 1724 1732 1733 CONECT 1724 1723 1725 1730 1731 CONECT 1725 1724 1726 1727 CONECT 1726 1725 CONECT 1727 1725 1728 1729 CONECT 1728 1727 CONECT 1729 1727 CONECT 1730 1724 CONECT 1731 1724 CONECT 1732 1723 CONECT 1733 1723 CONECT 1734 1628 CONECT 1735 1627 CONECT 1736 1624 1737 1738 1739 CONECT 1737 1736 CONECT 1738 1736 CONECT 1739 1736 CONECT 1740 1624 CONECT 1741 1623 CONECT 1742 1620 1743 1758 1759 CONECT 1743 1742 1744 1747 CONECT 1744 1743 1745 1757 CONECT 1745 1744 1746 1756 CONECT 1746 1745 1747 1751 CONECT 1747 1743 1746 1748 CONECT 1748 1747 1749 1755 CONECT 1749 1748 1750 1754 CONECT 1750 1749 1751 1753 CONECT 1751 1746 1750 1752 CONECT 1752 1751 CONECT 1753 1750 CONECT 1754 1749 CONECT 1755 1748 CONECT 1756 1745 CONECT 1757 1744 CONECT 1758 1742 CONECT 1759 1742 CONECT 1760 1620 CONECT 1761 1619 CONECT 1762 1616 1763 1775 1776 CONECT 1763 1762 1764 1768 CONECT 1764 1763 1765 1774 CONECT 1765 1764 1766 1773 CONECT 1766 1765 1767 1771 CONECT 1767 1766 1768 1770 CONECT 1768 1763 1767 1769 CONECT 1769 1768 CONECT 1770 1767 CONECT 1771 1766 1772 CONECT 1772 1771 CONECT 1773 1765 CONECT 1774 1764 CONECT 1775 1762 CONECT 1776 1762 CONECT 1777 1616 CONECT 1778 1615 CONECT 1779 1612 1780 1786 1787 CONECT 1780 1779 1781 1784 1785 CONECT 1781 1780 1782 1783 CONECT 1782 1781 CONECT 1783 1781 CONECT 1784 1780 CONECT 1785 1780 CONECT 1786 1779 CONECT 1787 1779 CONECT 1788 1612 CONECT 1789 1611 CONECT 1790 1608 1791 1792 1793 CONECT 1791 1790 CONECT 1792 1790 CONECT 1793 1790 CONECT 1794 1607 CONECT 1795 1604 1796 1807 1808 CONECT 1796 1795 1797 1801 CONECT 1797 1796 1798 1806 CONECT 1798 1797 1799 1805 CONECT 1799 1798 1800 1804 CONECT 1800 1799 1801 1803 CONECT 1801 1796 1800 1802 CONECT 1802 1801 CONECT 1803 1800 CONECT 1804 1799 CONECT 1805 1798 CONECT 1806 1797 CONECT 1807 1795 CONECT 1808 1795 CONECT 1809 1604 CONECT 1810 1603 CONECT 1811 1600 1812 1814 1818 CONECT 1812 1811 1813 CONECT 1813 1812 CONECT 1814 1811 1815 1816 1817 CONECT 1815 1814 CONECT 1816 1814 CONECT 1817 1814 CONECT 1818 1811 CONECT 1819 1600 CONECT 1820 1599 CONECT 1821 1596 1822 1832 1833 CONECT 1822 1821 1823 1827 1831 CONECT 1823 1822 1824 1825 1826 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1823 CONECT 1827 1822 1828 1829 1830 CONECT 1828 1827 CONECT 1829 1827 CONECT 1830 1827 CONECT 1831 1822 CONECT 1832 1821 CONECT 1833 1821 CONECT 1834 1596 CONECT 1835 1595 MASTER 0 0 0 0 0 0 0 0 1834 1 251 7 END
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2l1b
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2lbm
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2lgf
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3fdt
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3ghe
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3gv6
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3h1z
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3h91
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3hqh
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3qlc
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4hfz
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4iut
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4n3w
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5izu
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PDBbind
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5j19
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5j9k
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5jlz
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5ksu
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5ksv
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15-mer
5kzp
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PDBbind
15-mer
5lax
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PDBbind
15-mer
5mlo
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PDBbind
15-mer
5o45
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PDBbind
15-mer
5svz
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PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
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PDBbind
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5u66
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15-mer
5ul6
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5uwj
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5v4b
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PDBbind
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5vb9
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5vzy
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5wir
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15-mer
5ypo
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5znp
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5zuj
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15-mer
6atv
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PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
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6rmm
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PDBbind
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6rml
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PDBbind
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6q9t
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PDBbind
15-mer
6hol
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PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
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PDBbind
15-mer
5zjz
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5vtb
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6a5e
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Entry Information
PDB ID
4n5t
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein Mdm4
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=7nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. E3445-E3454
Ligand Properties
Formula
C
8
7
H
1
2
4
N
1
6
O
2
2
Molecular Weight
1746.010
Exact Mass
1744.910
No. of atoms
249
No. of bonds
254
Polar Surface Area
601.57
LOGP Value
6.59 (
Computed with XLOGP3
)
6.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 6
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)NC(=O)[C@]1(C)CCC/C=C/CCCCCC[C@@](C)(NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)C)CC(C)C)Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC1CCC1)CCC(=O)N)C)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O
InChI String
InChI=1S/C87H124N16O22/c1-48(2)41-63(93-53(7)106)78(117)101-71(52(6)105)82(121)98-66(42-54-25-18-17-19-26-54)81(120)103-86(8)39-22-15-13-11-10-12-14-16-23-40-87(9,85(125)100-68(47-104)79(118)91-49(3)72(111)92-51(5)83(122)123)102-80(119)65(43-55-27-24-28-55)96-74(113)61(35-37-69(88)108)94-73(112)50(4)90-76(115)67(45-57-46-89-60-30-21-20-29-59(57)60)97-77(116)64(44-56-31-33-58(107)34-32-56)95-75(114)62(99-84(86)124)36-38-70(109)110/h12,14,17-21,25-26,29-34,46,48-52,55,61-68,71,89,104-105,107H,10-11,13,15-16,22-24,27-28,35-45,47H2,1-9H3,(H2,88,108)(H,90,115)(H,91,118)(H,92,111)(H,93,106)(H,94,112)(H,95,114)(H,96,113)(H,97,116)(H,98,121)(H,99,124)(H,100,125)(H,101,117)(H,102,119)(H,103,120)(H,109,110)(H,122,123)/b14-12+/t49-,50-,51-,52+,61-,62-,63-,64-,65-,66-,67-,68-,71-,86+,87-/m0/s1
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UniProt accession number (AC):
Q7ZUW7
Entrez Gene ID
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