Browse entries in the PDBbind-CN Database
HEADER 2R3C_COMPLEX COMPND 2R3C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 46 ACE ARG MET LYS GLN ILE GLU ASP LYS ILE GLU GLU ILE SEQRES 2 A 46 GLU SER LYS GLN LYS LYS ILE GLU ASN GLU ILE ALA ARG SEQRES 3 A 46 ILE LYS LYS LEU LEU GLN LEU THR VAL TRP GLY ILE LYS SEQRES 4 A 46 GLN LEU GLN ALA ARG ILE LEU SEQRES 1 B 46 ACE ARG MET LYS GLN ILE GLU ASP LYS ILE GLU GLU ILE SEQRES 2 B 46 GLU SER LYS GLN LYS LYS ILE GLU ASN GLU ILE ALA ARG SEQRES 3 B 46 ILE LYS LYS LEU LEU GLN LEU THR VAL TRP GLY ILE LYS SEQRES 4 B 46 GLN LEU GLN ALA ARG ILE LEU SEQRES 1 C 46 ACE ARG MET LYS GLN ILE GLU ASP LYS ILE GLU GLU ILE SEQRES 2 C 46 GLU SER LYS GLN LYS LYS ILE GLU ASN GLU ILE ALA ARG SEQRES 3 C 46 ILE LYS LYS LEU LEU GLN LEU THR VAL TRP GLY ILE LYS SEQRES 4 C 46 GLN LEU GLN ALA ARG ILE LEU HET ACE A 0 6 HET ACE B 0 6 HET ACE C 0 6 HET DLY A 469 222 HETATM 1 CA ACE A 0 8.338 -1.867 21.734 1.00 30.07 C HETATM 2 C ACE A 0 7.663 -2.264 20.452 1.00 30.84 C HETATM 3 O ACE A 0 8.218 -2.074 19.372 1.00 30.68 O HETATM 4 H3 ACE A 0 7.691 -2.115 22.576 1.00 0.00 H HETATM 5 H2 ACE A 0 8.529 -0.794 21.725 1.00 0.00 H HETATM 6 H1 ACE A 0 9.281 -2.405 21.828 1.00 0.00 H ATOM 7 N ARG A 1 6.455 -2.814 20.565 1.00 30.63 N ATOM 8 CA ARG A 1 5.670 -3.249 19.410 1.00 30.88 C ATOM 9 C ARG A 1 5.155 -2.095 18.550 1.00 31.80 C ATOM 10 O ARG A 1 5.233 -2.161 17.324 1.00 30.82 O ATOM 11 CB ARG A 1 4.494 -4.118 19.861 1.00 30.07 C ATOM 12 CG ARG A 1 4.873 -5.559 20.145 1.00 31.91 C ATOM 13 CD ARG A 1 3.758 -6.324 20.859 1.00 32.36 C ATOM 14 NE ARG A 1 2.616 -6.659 20.003 1.00 32.74 N ATOM 15 CZ ARG A 1 1.401 -6.980 20.448 1.00 32.71 C ATOM 16 NH1 ARG A 1 1.134 -7.011 21.747 1.00 32.30 N ATOM 17 NH2 ARG A 1 0.446 -7.297 19.587 1.00 33.01 N ATOM 18 HA ARG A 1 6.350 -3.828 18.786 1.00 0.00 H ATOM 19 HB2 ARG A 1 4.076 -3.686 20.770 1.00 0.00 H ATOM 20 HB3 ARG A 1 3.738 -4.109 19.075 1.00 0.00 H ATOM 21 HG2 ARG A 1 5.090 -6.057 19.200 1.00 0.00 H ATOM 22 HG3 ARG A 1 5.764 -5.570 20.773 1.00 0.00 H ATOM 23 HD2 ARG A 1 3.398 -5.712 21.686 1.00 0.00 H ATOM 24 HD3 ARG A 1 4.176 -7.251 21.251 1.00 0.00 H ATOM 25 HE ARG A 1 2.764 -6.645 18.974 1.00 0.00 H ATOM 26 HH12 ARG A 1 0.180 -7.264 22.076 1.00 0.00 H ATOM 27 HH11 ARG A 1 1.878 -6.783 22.436 1.00 0.00 H ATOM 28 HH22 ARG A 1 -0.503 -7.548 19.932 1.00 0.00 H ATOM 29 HH21 ARG A 1 0.645 -7.295 18.566 1.00 0.00 H ATOM 30 H ARG A 1 6.053 -2.940 21.516 1.00 0.00 H ATOM 31 N MET A 2 4.689 -1.024 19.206 1.00 32.54 N ATOM 32 CA MET A 2 4.135 0.182 18.547 1.00 33.98 C ATOM 33 C MET A 2 5.145 0.845 17.666 1.00 34.05 C ATOM 34 O MET A 2 4.883 1.370 16.594 1.00 34.40 O ATOM 35 CB MET A 2 3.692 1.188 19.590 1.00 34.76 C ATOM 36 CG MET A 2 2.237 1.109 19.901 1.00 36.61 C ATOM 37 SD MET A 2 1.779 2.306 21.141 1.00 41.91 S ATOM 38 CE MET A 2 1.011 1.232 22.327 1.00 39.39 C ATOM 39 HA MET A 2 3.291 -0.145 17.940 1.00 0.00 H ATOM 40 HB2 MET A 2 4.253 1.007 20.507 1.00 0.00 H ATOM 41 HB3 MET A 2 3.914 2.190 19.222 1.00 0.00 H ATOM 42 HG2 MET A 2 2.005 0.109 20.268 1.00 0.00 H ATOM 43 HG3 MET A 2 1.667 1.302 18.992 1.00 0.00 H ATOM 44 HE1 MET A 2 0.165 0.726 21.863 1.00 0.00 H ATOM 45 HE2 MET A 2 1.735 0.492 22.668 1.00 0.00 H ATOM 46 HE3 MET A 2 0.663 1.820 23.176 1.00 0.00 H ATOM 47 H MET A 2 4.718 -1.040 20.245 1.00 0.00 H ATOM 48 N LYS A 3 6.353 0.662 18.125 1.00 34.60 N ATOM 49 CA LYS A 3 7.504 1.181 17.482 1.00 35.63 C ATOM 50 C LYS A 3 7.855 0.472 16.174 1.00 35.86 C ATOM 51 O LYS A 3 8.308 1.095 15.198 1.00 33.68 O ATOM 52 CB LYS A 3 8.592 1.073 18.508 1.00 38.25 C ATOM 53 CG LYS A 3 9.497 2.174 18.393 1.00 40.94 C ATOM 54 CD LYS A 3 10.753 1.759 17.674 1.00 43.82 C ATOM 55 CE LYS A 3 11.883 1.915 18.646 1.00 45.84 C ATOM 56 NZ LYS A 3 11.738 0.784 19.630 1.00 47.85 N ATOM 57 HA LYS A 3 7.341 2.210 17.160 1.00 0.00 H ATOM 58 HB2 LYS A 3 8.149 1.075 19.504 1.00 0.00 H ATOM 59 HB3 LYS A 3 9.138 0.142 18.356 1.00 0.00 H ATOM 60 HG2 LYS A 3 9.015 2.977 17.836 1.00 0.00 H ATOM 61 HG3 LYS A 3 9.756 2.530 19.390 1.00 0.00 H ATOM 62 HD2 LYS A 3 10.675 0.720 17.352 1.00 0.00 H ATOM 63 HD3 LYS A 3 10.915 2.396 16.805 1.00 0.00 H ATOM 64 HE2 LYS A 3 11.814 2.875 19.158 1.00 0.00 H ATOM 65 HE3 LYS A 3 12.840 1.848 18.129 1.00 0.00 H ATOM 66 HZ1 LYS A 3 10.817 0.857 20.107 1.00 0.00 H ATOM 67 HZ2 LYS A 3 11.797 -0.123 19.125 1.00 0.00 H ATOM 68 HZ3 LYS A 3 12.500 0.840 20.335 1.00 0.00 H ATOM 69 H LYS A 3 6.476 0.112 18.999 1.00 0.00 H ATOM 70 N GLN A 4 7.787 -0.851 16.233 1.00 35.29 N ATOM 71 CA GLN A 4 8.044 -1.707 15.090 1.00 34.93 C ATOM 72 C GLN A 4 6.925 -1.525 14.071 1.00 32.68 C ATOM 73 O GLN A 4 7.185 -1.525 12.868 1.00 31.99 O ATOM 74 CB GLN A 4 8.175 -3.172 15.518 1.00 37.92 C ATOM 75 CG GLN A 4 9.569 -3.490 16.044 1.00 44.18 C ATOM 76 CD GLN A 4 9.703 -4.872 16.652 1.00 47.11 C ATOM 77 OE1 GLN A 4 9.402 -5.880 16.011 1.00 50.86 O ATOM 78 NE2 GLN A 4 10.202 -4.929 17.882 1.00 48.68 N ATOM 79 HA GLN A 4 8.992 -1.423 14.632 1.00 0.00 H ATOM 80 HB2 GLN A 4 7.447 -3.376 16.303 1.00 0.00 H ATOM 81 HB3 GLN A 4 7.969 -3.810 14.659 1.00 0.00 H ATOM 82 HG2 GLN A 4 10.273 -3.411 15.216 1.00 0.00 H ATOM 83 HG3 GLN A 4 9.823 -2.754 16.807 1.00 0.00 H ATOM 84 HE22 GLN A 4 10.442 -4.052 18.387 1.00 0.00 H ATOM 85 HE21 GLN A 4 10.352 -5.851 18.340 1.00 0.00 H ATOM 86 H GLN A 4 7.538 -1.295 17.140 1.00 0.00 H ATOM 87 N ILE A 5 5.709 -1.266 14.571 1.00 30.34 N ATOM 88 CA ILE A 5 4.520 -1.022 13.745 1.00 27.94 C ATOM 89 C ILE A 5 4.724 0.300 12.992 1.00 27.67 C ATOM 90 O ILE A 5 4.502 0.354 11.784 1.00 28.06 O ATOM 91 CB ILE A 5 3.204 -0.991 14.621 1.00 27.47 C ATOM 92 CG1 ILE A 5 2.801 -2.417 15.016 1.00 28.71 C ATOM 93 CG2 ILE A 5 2.039 -0.283 13.907 1.00 24.80 C ATOM 94 CD1 ILE A 5 1.785 -2.495 16.166 1.00 29.88 C ATOM 95 HA ILE A 5 4.394 -1.836 13.032 1.00 0.00 H ATOM 96 HB ILE A 5 3.425 -0.413 15.518 1.00 0.00 H ATOM 97 HG12 ILE A 5 2.366 -2.903 14.143 1.00 0.00 H ATOM 98 HG13 ILE A 5 3.700 -2.954 15.318 1.00 0.00 H ATOM 99 HD11 ILE A 5 2.207 -2.026 17.055 1.00 0.00 H ATOM 100 HD12 ILE A 5 0.872 -1.974 15.878 1.00 0.00 H ATOM 101 HD13 ILE A 5 1.558 -3.540 16.378 1.00 0.00 H ATOM 102 HG21 ILE A 5 2.321 0.747 13.687 1.00 0.00 H ATOM 103 HG22 ILE A 5 1.813 -0.806 12.978 1.00 0.00 H ATOM 104 HG23 ILE A 5 1.161 -0.290 14.553 1.00 0.00 H ATOM 105 H ILE A 5 5.601 -1.236 15.605 1.00 0.00 H ATOM 106 N GLU A 6 5.219 1.320 13.703 1.00 26.62 N ATOM 107 CA GLU A 6 5.486 2.653 13.142 1.00 26.80 C ATOM 108 C GLU A 6 6.514 2.649 12.003 1.00 26.49 C ATOM 109 O GLU A 6 6.302 3.297 10.970 1.00 24.99 O ATOM 110 CB GLU A 6 5.918 3.626 14.247 1.00 27.73 C ATOM 111 CG GLU A 6 4.752 4.172 15.079 1.00 29.51 C ATOM 112 CD GLU A 6 5.174 4.875 16.373 1.00 31.71 C ATOM 113 OE1 GLU A 6 4.324 5.591 16.945 1.00 33.77 O ATOM 114 OE2 GLU A 6 6.327 4.711 16.833 1.00 30.67 O ATOM 115 HA GLU A 6 4.546 2.988 12.704 1.00 0.00 H ATOM 116 HB2 GLU A 6 6.604 3.105 14.915 1.00 0.00 H ATOM 117 HB3 GLU A 6 6.433 4.467 13.783 1.00 0.00 H ATOM 118 HG2 GLU A 6 4.201 4.886 14.467 1.00 0.00 H ATOM 119 HG3 GLU A 6 4.099 3.339 15.340 1.00 0.00 H ATOM 120 H GLU A 6 5.427 1.161 14.710 1.00 0.00 H ATOM 121 N ASP A 7 7.582 1.863 12.175 1.00 26.53 N ATOM 122 CA ASP A 7 8.646 1.732 11.177 1.00 26.62 C ATOM 123 C ASP A 7 8.212 0.870 9.992 1.00 26.17 C ATOM 124 O ASP A 7 8.690 1.064 8.871 1.00 26.46 O ATOM 125 CB ASP A 7 9.930 1.185 11.817 1.00 27.89 C ATOM 126 CG ASP A 7 10.645 2.220 12.695 1.00 30.87 C ATOM 127 OD1 ASP A 7 11.601 1.834 13.403 1.00 33.62 O ATOM 128 OD2 ASP A 7 10.268 3.416 12.678 1.00 29.89 O ATOM 129 HA ASP A 7 8.855 2.729 10.790 1.00 0.00 H ATOM 130 HB2 ASP A 7 9.673 0.324 12.433 1.00 0.00 H ATOM 131 HB3 ASP A 7 10.609 0.873 11.024 1.00 0.00 H ATOM 132 H ASP A 7 7.661 1.320 13.058 1.00 0.00 H ATOM 133 N LYS A 8 7.262 -0.034 10.242 1.00 25.27 N ATOM 134 CA LYS A 8 6.712 -0.916 9.211 1.00 25.45 C ATOM 135 C LYS A 8 5.779 -0.108 8.305 1.00 24.08 C ATOM 136 O LYS A 8 5.801 -0.280 7.088 1.00 25.05 O ATOM 137 CB LYS A 8 5.953 -2.088 9.852 1.00 26.56 C ATOM 138 CG LYS A 8 5.580 -3.218 8.904 1.00 27.92 C ATOM 139 CD LYS A 8 6.808 -3.833 8.244 1.00 33.03 C ATOM 140 CE LYS A 8 6.419 -4.884 7.239 1.00 34.19 C ATOM 141 NZ LYS A 8 7.578 -5.355 6.429 1.00 34.88 N ATOM 142 HA LYS A 8 7.528 -1.328 8.617 1.00 0.00 H ATOM 143 HB2 LYS A 8 6.579 -2.503 10.642 1.00 0.00 H ATOM 144 HB3 LYS A 8 5.034 -1.696 10.287 1.00 0.00 H ATOM 145 HG2 LYS A 8 5.057 -3.992 9.466 1.00 0.00 H ATOM 146 HG3 LYS A 8 4.922 -2.826 8.129 1.00 0.00 H ATOM 147 HD2 LYS A 8 7.370 -3.048 7.738 1.00 0.00 H ATOM 148 HD3 LYS A 8 7.433 -4.289 9.012 1.00 0.00 H ATOM 149 HE2 LYS A 8 5.670 -4.465 6.567 1.00 0.00 H ATOM 150 HE3 LYS A 8 5.994 -5.736 7.770 1.00 0.00 H ATOM 151 HZ1 LYS A 8 7.987 -4.551 5.911 1.00 0.00 H ATOM 152 HZ2 LYS A 8 8.297 -5.764 7.060 1.00 0.00 H ATOM 153 HZ3 LYS A 8 7.256 -6.077 5.753 1.00 0.00 H ATOM 154 H LYS A 8 6.896 -0.115 11.212 1.00 0.00 H ATOM 155 N ILE A 9 5.016 0.805 8.915 1.00 21.85 N ATOM 156 CA ILE A 9 4.079 1.696 8.223 1.00 21.77 C ATOM 157 C ILE A 9 4.845 2.624 7.263 1.00 22.33 C ATOM 158 O ILE A 9 4.382 2.895 6.150 1.00 23.18 O ATOM 159 CB ILE A 9 3.228 2.499 9.265 1.00 22.12 C ATOM 160 CG1 ILE A 9 2.074 1.625 9.762 1.00 21.03 C ATOM 161 CG2 ILE A 9 2.718 3.834 8.709 1.00 22.91 C ATOM 162 CD1 ILE A 9 1.325 2.202 10.929 1.00 21.86 C ATOM 163 HA ILE A 9 3.387 1.104 7.624 1.00 0.00 H ATOM 164 HB ILE A 9 3.876 2.753 10.104 1.00 0.00 H ATOM 165 HG12 ILE A 9 1.372 1.485 8.940 1.00 0.00 H ATOM 166 HG13 ILE A 9 2.480 0.658 10.060 1.00 0.00 H ATOM 167 HD11 ILE A 9 2.009 2.338 11.767 1.00 0.00 H ATOM 168 HD12 ILE A 9 0.900 3.165 10.646 1.00 0.00 H ATOM 169 HD13 ILE A 9 0.525 1.521 11.218 1.00 0.00 H ATOM 170 HG21 ILE A 9 3.567 4.454 8.421 1.00 0.00 H ATOM 171 HG22 ILE A 9 2.091 3.647 7.837 1.00 0.00 H ATOM 172 HG23 ILE A 9 2.135 4.346 9.475 1.00 0.00 H ATOM 173 H ILE A 9 5.092 0.889 9.949 1.00 0.00 H ATOM 174 N GLU A 10 6.032 3.056 7.694 1.00 21.42 N ATOM 175 CA GLU A 10 6.904 3.926 6.905 1.00 20.46 C ATOM 176 C GLU A 10 7.460 3.186 5.694 1.00 20.58 C ATOM 177 O GLU A 10 7.644 3.778 4.634 1.00 21.80 O ATOM 178 CB GLU A 10 8.042 4.449 7.770 1.00 19.32 C ATOM 179 CG GLU A 10 7.575 5.445 8.823 1.00 18.92 C ATOM 180 CD GLU A 10 8.595 5.697 9.922 1.00 19.03 C ATOM 181 OE1 GLU A 10 8.322 6.575 10.768 1.00 22.61 O ATOM 182 OE2 GLU A 10 9.654 5.026 9.958 1.00 17.93 O ATOM 183 HA GLU A 10 6.313 4.769 6.547 1.00 0.00 H ATOM 184 HB2 GLU A 10 8.513 3.605 8.274 1.00 0.00 H ATOM 185 HB3 GLU A 10 8.772 4.940 7.126 1.00 0.00 H ATOM 186 HG2 GLU A 10 7.360 6.393 8.329 1.00 0.00 H ATOM 187 HG3 GLU A 10 6.664 5.060 9.281 1.00 0.00 H ATOM 188 H GLU A 10 6.353 2.759 8.638 1.00 0.00 H ATOM 189 N GLU A 11 7.681 1.881 5.854 1.00 21.60 N ATOM 190 CA GLU A 11 8.180 1.034 4.773 1.00 23.43 C ATOM 191 C GLU A 11 7.075 0.735 3.755 1.00 21.51 C ATOM 192 O GLU A 11 7.351 0.642 2.554 1.00 21.50 O ATOM 193 CB GLU A 11 8.789 -0.253 5.327 1.00 27.27 C ATOM 194 CG GLU A 11 10.158 -0.039 5.977 1.00 34.49 C ATOM 195 CD GLU A 11 10.799 -1.320 6.502 1.00 38.14 C ATOM 196 OE1 GLU A 11 11.833 -1.217 7.195 1.00 41.53 O ATOM 197 OE2 GLU A 11 10.284 -2.429 6.226 1.00 43.12 O ATOM 198 HA GLU A 11 8.969 1.578 4.253 1.00 0.00 H ATOM 199 HB2 GLU A 11 8.110 -0.664 6.074 1.00 0.00 H ATOM 200 HB3 GLU A 11 8.901 -0.964 4.509 1.00 0.00 H ATOM 201 HG2 GLU A 11 10.825 0.401 5.236 1.00 0.00 H ATOM 202 HG3 GLU A 11 10.038 0.652 6.811 1.00 0.00 H ATOM 203 H GLU A 11 7.491 1.450 6.782 1.00 0.00 H ATOM 204 N ILE A 12 5.830 0.656 4.237 1.00 20.12 N ATOM 205 CA ILE A 12 4.653 0.417 3.388 1.00 21.11 C ATOM 206 C ILE A 12 4.376 1.693 2.587 1.00 21.45 C ATOM 207 O ILE A 12 4.076 1.617 1.393 1.00 22.09 O ATOM 208 CB ILE A 12 3.386 0.001 4.225 1.00 21.39 C ATOM 209 CG1 ILE A 12 3.612 -1.380 4.856 1.00 22.28 C ATOM 210 CG2 ILE A 12 2.112 -0.054 3.340 1.00 21.22 C ATOM 211 CD1 ILE A 12 2.559 -1.796 5.881 1.00 22.85 C ATOM 212 HA ILE A 12 4.864 -0.417 2.719 1.00 0.00 H ATOM 213 HB ILE A 12 3.239 0.753 5.000 1.00 0.00 H ATOM 214 HG12 ILE A 12 3.619 -2.121 4.057 1.00 0.00 H ATOM 215 HG13 ILE A 12 4.583 -1.372 5.351 1.00 0.00 H ATOM 216 HD11 ILE A 12 2.545 -1.075 6.698 1.00 0.00 H ATOM 217 HD12 ILE A 12 1.580 -1.825 5.403 1.00 0.00 H ATOM 218 HD13 ILE A 12 2.804 -2.784 6.271 1.00 0.00 H ATOM 219 HG21 ILE A 12 1.931 0.929 2.905 1.00 0.00 H ATOM 220 HG22 ILE A 12 2.255 -0.785 2.544 1.00 0.00 H ATOM 221 HG23 ILE A 12 1.258 -0.344 3.952 1.00 0.00 H ATOM 222 H ILE A 12 5.687 0.769 5.261 1.00 0.00 H ATOM 223 N GLU A 13 4.524 2.849 3.243 1.00 21.78 N ATOM 224 CA GLU A 13 4.322 4.168 2.620 1.00 23.50 C ATOM 225 C GLU A 13 5.372 4.452 1.555 1.00 21.72 C ATOM 226 O GLU A 13 5.060 5.034 0.519 1.00 22.18 O ATOM 227 CB GLU A 13 4.357 5.280 3.663 1.00 26.35 C ATOM 228 CG GLU A 13 2.998 5.706 4.164 1.00 34.92 C ATOM 229 CD GLU A 13 2.829 7.219 4.149 1.00 40.53 C ATOM 230 OE1 GLU A 13 3.398 7.896 5.038 1.00 43.58 O ATOM 231 OE2 GLU A 13 2.123 7.736 3.252 1.00 41.94 O ATOM 232 HA GLU A 13 3.339 4.145 2.149 1.00 0.00 H ATOM 233 HB2 GLU A 13 4.941 4.931 4.515 1.00 0.00 H ATOM 234 HB3 GLU A 13 4.845 6.148 3.220 1.00 0.00 H ATOM 235 HG2 GLU A 13 2.233 5.261 3.528 1.00 0.00 H ATOM 236 HG3 GLU A 13 2.872 5.348 5.186 1.00 0.00 H ATOM 237 H GLU A 13 4.796 2.815 4.246 1.00 0.00 H ATOM 238 N SER A 14 6.603 4.002 1.821 1.00 21.39 N ATOM 239 CA SER A 14 7.754 4.139 0.918 1.00 21.99 C ATOM 240 C SER A 14 7.475 3.361 -0.354 1.00 21.82 C ATOM 241 O SER A 14 7.658 3.866 -1.465 1.00 20.39 O ATOM 242 CB SER A 14 9.022 3.590 1.589 1.00 22.06 C ATOM 243 OG SER A 14 10.085 3.433 0.661 1.00 23.85 O ATOM 244 HA SER A 14 7.909 5.193 0.685 1.00 0.00 H ATOM 245 HB2 SER A 14 8.795 2.621 2.033 1.00 0.00 H ATOM 246 HB3 SER A 14 9.335 4.282 2.371 1.00 0.00 H ATOM 247 HG SER A 14 10.881 3.078 1.130 1.00 0.00 H ATOM 248 H SER A 14 6.756 3.522 2.731 1.00 0.00 H ATOM 249 N LYS A 15 6.959 2.150 -0.159 1.00 20.48 N ATOM 250 CA LYS A 15 6.617 1.267 -1.250 1.00 21.29 C ATOM 251 C LYS A 15 5.463 1.772 -2.096 1.00 20.99 C ATOM 252 O LYS A 15 5.457 1.580 -3.313 1.00 20.22 O ATOM 253 CB LYS A 15 6.295 -0.132 -0.736 1.00 23.76 C ATOM 254 CG LYS A 15 7.433 -1.149 -0.846 1.00 31.05 C ATOM 255 CD LYS A 15 8.054 -1.239 -2.267 1.00 36.29 C ATOM 256 CE LYS A 15 7.060 -1.696 -3.347 1.00 37.81 C ATOM 257 NZ LYS A 15 7.569 -1.593 -4.731 1.00 39.88 N ATOM 258 HA LYS A 15 7.498 1.235 -1.891 1.00 0.00 H ATOM 259 HB2 LYS A 15 6.018 -0.049 0.315 1.00 0.00 H ATOM 260 HB3 LYS A 15 5.447 -0.513 -1.305 1.00 0.00 H ATOM 261 HG2 LYS A 15 8.218 -0.865 -0.144 1.00 0.00 H ATOM 262 HG3 LYS A 15 7.044 -2.131 -0.577 1.00 0.00 H ATOM 263 HD2 LYS A 15 8.432 -0.254 -2.541 1.00 0.00 H ATOM 264 HD3 LYS A 15 8.881 -1.949 -2.237 1.00 0.00 H ATOM 265 HE2 LYS A 15 6.163 -1.081 -3.267 1.00 0.00 H ATOM 266 HE3 LYS A 15 6.803 -2.738 -3.155 1.00 0.00 H ATOM 267 HZ1 LYS A 15 7.808 -0.602 -4.938 1.00 0.00 H ATOM 268 HZ2 LYS A 15 8.419 -2.184 -4.831 1.00 0.00 H ATOM 269 HZ3 LYS A 15 6.837 -1.920 -5.393 1.00 0.00 H ATOM 270 H LYS A 15 6.796 1.827 0.816 1.00 0.00 H ATOM 271 N GLN A 16 4.528 2.467 -1.444 1.00 19.66 N ATOM 272 CA GLN A 16 3.355 3.042 -2.088 1.00 19.07 C ATOM 273 C GLN A 16 3.767 4.196 -3.010 1.00 18.49 C ATOM 274 O GLN A 16 3.196 4.370 -4.088 1.00 18.14 O ATOM 275 CB GLN A 16 2.388 3.527 -1.016 1.00 19.25 C ATOM 276 CG GLN A 16 0.959 3.608 -1.451 1.00 21.66 C ATOM 277 CD GLN A 16 0.028 3.689 -0.273 1.00 22.23 C ATOM 278 OE1 GLN A 16 -0.698 2.743 0.022 1.00 25.20 O ATOM 279 NE2 GLN A 16 0.045 4.820 0.418 1.00 23.01 N ATOM 280 HA GLN A 16 2.863 2.285 -2.698 1.00 0.00 H ATOM 281 HB2 GLN A 16 2.447 2.842 -0.170 1.00 0.00 H ATOM 282 HB3 GLN A 16 2.703 4.521 -0.699 1.00 0.00 H ATOM 283 HG2 GLN A 16 0.826 4.496 -2.069 1.00 0.00 H ATOM 284 HG3 GLN A 16 0.715 2.720 -2.035 1.00 0.00 H ATOM 285 HE22 GLN A 16 0.676 5.595 0.131 1.00 0.00 H ATOM 286 HE21 GLN A 16 -0.573 4.932 1.247 1.00 0.00 H ATOM 287 H GLN A 16 4.644 2.605 -0.420 1.00 0.00 H ATOM 288 N LYS A 17 4.799 4.935 -2.599 1.00 18.43 N ATOM 289 CA LYS A 17 5.319 6.053 -3.386 1.00 20.43 C ATOM 290 C LYS A 17 6.076 5.549 -4.607 1.00 21.78 C ATOM 291 O LYS A 17 6.030 6.178 -5.666 1.00 22.65 O ATOM 292 CB LYS A 17 6.214 6.968 -2.542 1.00 21.17 C ATOM 293 CG LYS A 17 5.486 7.830 -1.515 1.00 23.93 C ATOM 294 CD LYS A 17 4.473 8.791 -2.150 1.00 25.35 C ATOM 295 CE LYS A 17 3.820 9.688 -1.100 1.00 26.82 C ATOM 296 NZ LYS A 17 3.157 8.903 -0.015 1.00 28.16 N ATOM 297 HA LYS A 17 4.465 6.640 -3.723 1.00 0.00 H ATOM 298 HB2 LYS A 17 6.929 6.341 -2.009 1.00 0.00 H ATOM 299 HB3 LYS A 17 6.750 7.632 -3.220 1.00 0.00 H ATOM 300 HG2 LYS A 17 4.957 7.174 -0.823 1.00 0.00 H ATOM 301 HG3 LYS A 17 6.224 8.415 -0.967 1.00 0.00 H ATOM 302 HD2 LYS A 17 4.987 9.416 -2.881 1.00 0.00 H ATOM 303 HD3 LYS A 17 3.699 8.210 -2.651 1.00 0.00 H ATOM 304 HE2 LYS A 17 3.072 10.312 -1.588 1.00 0.00 H ATOM 305 HE3 LYS A 17 4.587 10.323 -0.655 1.00 0.00 H ATOM 306 HZ1 LYS A 17 2.418 8.299 -0.428 1.00 0.00 H ATOM 307 HZ2 LYS A 17 3.864 8.309 0.463 1.00 0.00 H ATOM 308 HZ3 LYS A 17 2.729 9.556 0.672 1.00 0.00 H ATOM 309 H LYS A 17 5.249 4.709 -1.689 1.00 0.00 H ATOM 310 N LYS A 18 6.735 4.395 -4.464 1.00 23.80 N ATOM 311 CA LYS A 18 7.476 3.767 -5.564 1.00 25.60 C ATOM 312 C LYS A 18 6.468 3.268 -6.607 1.00 24.51 C ATOM 313 O LYS A 18 6.668 3.474 -7.808 1.00 24.84 O ATOM 314 CB LYS A 18 8.347 2.612 -5.051 1.00 26.96 C ATOM 315 CG LYS A 18 9.196 1.914 -6.125 1.00 32.19 C ATOM 316 CD LYS A 18 10.137 0.889 -5.501 1.00 36.65 C ATOM 317 CE LYS A 18 10.198 -0.419 -6.294 1.00 39.90 C ATOM 318 NZ LYS A 18 10.758 -0.295 -7.669 1.00 40.52 N ATOM 319 HA LYS A 18 8.145 4.498 -6.018 1.00 0.00 H ATOM 320 HB2 LYS A 18 9.021 3.008 -4.291 1.00 0.00 H ATOM 321 HB3 LYS A 18 7.691 1.867 -4.601 1.00 0.00 H ATOM 322 HG2 LYS A 18 8.535 1.409 -6.829 1.00 0.00 H ATOM 323 HG3 LYS A 18 9.785 2.662 -6.655 1.00 0.00 H ATOM 324 HD2 LYS A 18 11.139 1.317 -5.456 1.00 0.00 H ATOM 325 HD3 LYS A 18 9.792 0.669 -4.491 1.00 0.00 H ATOM 326 HE2 LYS A 18 9.185 -0.813 -6.375 1.00 0.00 H ATOM 327 HE3 LYS A 18 10.817 -1.123 -5.738 1.00 0.00 H ATOM 328 HZ1 LYS A 18 10.173 0.363 -8.222 1.00 0.00 H ATOM 329 HZ2 LYS A 18 11.731 0.067 -7.614 1.00 0.00 H ATOM 330 HZ3 LYS A 18 10.759 -1.229 -8.127 1.00 0.00 H ATOM 331 H LYS A 18 6.722 3.924 -3.537 1.00 0.00 H ATOM 332 N ILE A 19 5.354 2.710 -6.118 1.00 22.49 N ATOM 333 CA ILE A 19 4.253 2.190 -6.943 1.00 21.16 C ATOM 334 C ILE A 19 3.581 3.334 -7.711 1.00 21.41 C ATOM 335 O ILE A 19 3.357 3.215 -8.918 1.00 21.06 O ATOM 336 CB ILE A 19 3.224 1.389 -6.066 1.00 19.58 C ATOM 337 CG1 ILE A 19 3.844 0.046 -5.665 1.00 20.11 C ATOM 338 CG2 ILE A 19 1.885 1.167 -6.789 1.00 17.82 C ATOM 339 CD1 ILE A 19 3.052 -0.740 -4.652 1.00 19.60 C ATOM 340 HA ILE A 19 4.661 1.492 -7.674 1.00 0.00 H ATOM 341 HB ILE A 19 3.005 1.981 -5.177 1.00 0.00 H ATOM 342 HG12 ILE A 19 3.944 -0.563 -6.563 1.00 0.00 H ATOM 343 HG13 ILE A 19 4.832 0.240 -5.247 1.00 0.00 H ATOM 344 HD11 ILE A 19 2.951 -0.155 -3.738 1.00 0.00 H ATOM 345 HD12 ILE A 19 2.063 -0.958 -5.056 1.00 0.00 H ATOM 346 HD13 ILE A 19 3.570 -1.673 -4.432 1.00 0.00 H ATOM 347 HG21 ILE A 19 1.441 2.132 -7.033 1.00 0.00 H ATOM 348 HG22 ILE A 19 2.058 0.603 -7.706 1.00 0.00 H ATOM 349 HG23 ILE A 19 1.211 0.609 -6.139 1.00 0.00 H ATOM 350 H ILE A 19 5.261 2.639 -5.085 1.00 0.00 H ATOM 351 N GLU A 20 3.335 4.450 -7.019 1.00 20.68 N ATOM 352 CA GLU A 20 2.711 5.643 -7.603 1.00 22.20 C ATOM 353 C GLU A 20 3.556 6.227 -8.730 1.00 20.66 C ATOM 354 O GLU A 20 3.021 6.628 -9.762 1.00 20.84 O ATOM 355 CB GLU A 20 2.515 6.715 -6.542 1.00 24.90 C ATOM 356 CG GLU A 20 1.335 6.513 -5.626 1.00 29.81 C ATOM 357 CD GLU A 20 1.342 7.516 -4.486 1.00 34.41 C ATOM 358 OE1 GLU A 20 1.019 7.120 -3.349 1.00 36.80 O ATOM 359 OE2 GLU A 20 1.682 8.700 -4.714 1.00 38.05 O ATOM 360 HA GLU A 20 1.748 5.332 -8.007 1.00 0.00 H ATOM 361 HB2 GLU A 20 3.415 6.749 -5.928 1.00 0.00 H ATOM 362 HB3 GLU A 20 2.387 7.671 -7.050 1.00 0.00 H ATOM 363 HG2 GLU A 20 0.416 6.633 -6.199 1.00 0.00 H ATOM 364 HG3 GLU A 20 1.375 5.505 -5.213 1.00 0.00 H ATOM 365 H GLU A 20 3.600 4.475 -6.014 1.00 0.00 H ATOM 366 N ASN A 21 4.875 6.240 -8.520 1.00 20.51 N ATOM 367 CA ASN A 21 5.842 6.743 -9.501 1.00 21.81 C ATOM 368 C ASN A 21 5.899 5.833 -10.734 1.00 21.77 C ATOM 369 O ASN A 21 6.011 6.322 -11.861 1.00 21.49 O ATOM 370 CB ASN A 21 7.245 6.872 -8.882 1.00 22.83 C ATOM 371 CG ASN A 21 7.363 8.038 -7.895 1.00 23.93 C ATOM 372 OD1 ASN A 21 6.492 8.908 -7.824 1.00 27.62 O ATOM 373 ND2 ASN A 21 8.454 8.055 -7.131 1.00 24.32 N ATOM 374 HA ASN A 21 5.506 7.733 -9.811 1.00 0.00 H ATOM 375 HB2 ASN A 21 7.478 5.947 -8.355 1.00 0.00 H ATOM 376 HB3 ASN A 21 7.966 7.023 -9.685 1.00 0.00 H ATOM 377 HD22 ASN A 21 9.165 7.301 -7.223 1.00 0.00 H ATOM 378 HD21 ASN A 21 8.595 8.822 -6.443 1.00 0.00 H ATOM 379 H ASN A 21 5.234 5.875 -7.615 1.00 0.00 H ATOM 380 N GLU A 22 5.773 4.521 -10.508 1.00 22.45 N ATOM 381 CA GLU A 22 5.786 3.515 -11.578 1.00 22.58 C ATOM 382 C GLU A 22 4.540 3.646 -12.451 1.00 22.02 C ATOM 383 O GLU A 22 4.641 3.567 -13.674 1.00 21.39 O ATOM 384 CB GLU A 22 5.857 2.091 -11.007 1.00 25.81 C ATOM 385 CG GLU A 22 7.187 1.710 -10.351 1.00 31.29 C ATOM 386 CD GLU A 22 7.172 0.326 -9.691 1.00 34.71 C ATOM 387 OE1 GLU A 22 8.236 -0.332 -9.667 1.00 37.46 O ATOM 388 OE2 GLU A 22 6.114 -0.103 -9.178 1.00 36.89 O ATOM 389 HA GLU A 22 6.676 3.694 -12.182 1.00 0.00 H ATOM 390 HB2 GLU A 22 5.072 1.989 -10.258 1.00 0.00 H ATOM 391 HB3 GLU A 22 5.672 1.392 -11.823 1.00 0.00 H ATOM 392 HG2 GLU A 22 7.964 1.719 -11.116 1.00 0.00 H ATOM 393 HG3 GLU A 22 7.421 2.453 -9.589 1.00 0.00 H ATOM 394 H GLU A 22 5.660 4.197 -9.526 1.00 0.00 H ATOM 395 N ILE A 23 3.391 3.910 -11.814 1.00 20.63 N ATOM 396 CA ILE A 23 2.092 4.078 -12.493 1.00 21.01 C ATOM 397 C ILE A 23 2.088 5.346 -13.357 1.00 21.35 C ATOM 398 O ILE A 23 1.605 5.328 -14.486 1.00 20.53 O ATOM 399 CB ILE A 23 0.891 4.068 -11.460 1.00 21.21 C ATOM 400 CG1 ILE A 23 0.698 2.650 -10.899 1.00 20.93 C ATOM 401 CG2 ILE A 23 -0.444 4.568 -12.103 1.00 20.21 C ATOM 402 CD1 ILE A 23 -0.333 2.537 -9.787 1.00 20.48 C ATOM 403 HA ILE A 23 1.947 3.225 -13.156 1.00 0.00 H ATOM 404 HB ILE A 23 1.146 4.756 -10.654 1.00 0.00 H ATOM 405 HG12 ILE A 23 0.386 2.001 -11.717 1.00 0.00 H ATOM 406 HG13 ILE A 23 1.656 2.306 -10.509 1.00 0.00 H ATOM 407 HD11 ILE A 23 -0.033 3.168 -8.950 1.00 0.00 H ATOM 408 HD12 ILE A 23 -1.304 2.862 -10.159 1.00 0.00 H ATOM 409 HD13 ILE A 23 -0.398 1.500 -9.457 1.00 0.00 H ATOM 410 HG21 ILE A 23 -0.313 5.589 -12.462 1.00 0.00 H ATOM 411 HG22 ILE A 23 -0.709 3.919 -12.938 1.00 0.00 H ATOM 412 HG23 ILE A 23 -1.237 4.543 -11.356 1.00 0.00 H ATOM 413 H ILE A 23 3.416 4.002 -10.778 1.00 0.00 H ATOM 414 N ALA A 24 2.674 6.423 -12.836 1.00 22.05 N ATOM 415 CA ALA A 24 2.777 7.694 -13.560 1.00 23.67 C ATOM 416 C ALA A 24 3.562 7.517 -14.854 1.00 24.74 C ATOM 417 O ALA A 24 3.163 8.024 -15.888 1.00 26.17 O ATOM 418 CB ALA A 24 3.434 8.743 -12.688 1.00 24.77 C ATOM 419 HA ALA A 24 1.770 8.026 -13.813 1.00 0.00 H ATOM 420 HB1 ALA A 24 2.836 8.892 -11.789 1.00 0.00 H ATOM 421 HB2 ALA A 24 4.434 8.409 -12.410 1.00 0.00 H ATOM 422 HB3 ALA A 24 3.503 9.681 -13.239 1.00 0.00 H ATOM 423 H ALA A 24 3.074 6.360 -11.878 1.00 0.00 H ATOM 424 N ARG A 25 4.658 6.755 -14.775 1.00 24.45 N ATOM 425 CA ARG A 25 5.529 6.446 -15.919 1.00 24.68 C ATOM 426 C ARG A 25 4.814 5.569 -16.936 1.00 24.54 C ATOM 427 O ARG A 25 4.883 5.824 -18.133 1.00 23.41 O ATOM 428 CB ARG A 25 6.829 5.798 -15.398 1.00 26.57 C ATOM 429 CG ARG A 25 7.881 5.234 -16.365 1.00 33.37 C ATOM 430 CD ARG A 25 9.148 5.101 -15.521 1.00 38.97 C ATOM 431 NE ARG A 25 10.361 4.457 -16.045 1.00 43.32 N ATOM 432 CZ ARG A 25 10.524 3.138 -16.165 1.00 45.84 C ATOM 433 NH1 ARG A 25 9.540 2.300 -15.838 1.00 46.10 N ATOM 434 NH2 ARG A 25 11.755 2.638 -16.269 1.00 45.63 N ATOM 435 HA ARG A 25 5.786 7.367 -16.443 1.00 0.00 H ATOM 436 HB2 ARG A 25 7.334 6.556 -14.800 1.00 0.00 H ATOM 437 HB3 ARG A 25 6.526 4.972 -14.755 1.00 0.00 H ATOM 438 HG2 ARG A 25 7.570 4.262 -16.749 1.00 0.00 H ATOM 439 HG3 ARG A 25 8.043 5.917 -17.199 1.00 0.00 H ATOM 440 HD2 ARG A 25 8.865 4.542 -14.629 1.00 0.00 H ATOM 441 HD3 ARG A 25 9.436 6.114 -15.238 1.00 0.00 H ATOM 442 HE ARG A 25 11.146 5.071 -16.343 1.00 0.00 H ATOM 443 HH12 ARG A 25 9.677 1.274 -15.935 1.00 0.00 H ATOM 444 HH11 ARG A 25 8.635 2.673 -15.486 1.00 0.00 H ATOM 445 HH22 ARG A 25 11.893 1.612 -16.363 1.00 0.00 H ATOM 446 HH21 ARG A 25 12.578 3.274 -16.256 1.00 0.00 H ATOM 447 H ARG A 25 4.910 6.357 -13.848 1.00 0.00 H ATOM 448 N ILE A 26 4.068 4.579 -16.445 1.00 23.38 N ATOM 449 CA ILE A 26 3.292 3.645 -17.292 1.00 21.97 C ATOM 450 C ILE A 26 2.203 4.409 -18.049 1.00 22.37 C ATOM 451 O ILE A 26 2.040 4.221 -19.257 1.00 22.85 O ATOM 452 CB ILE A 26 2.636 2.461 -16.456 1.00 21.36 C ATOM 453 CG1 ILE A 26 3.714 1.483 -15.993 1.00 21.38 C ATOM 454 CG2 ILE A 26 1.550 1.712 -17.261 1.00 19.29 C ATOM 455 CD1 ILE A 26 3.222 0.490 -14.956 1.00 21.17 C ATOM 456 HA ILE A 26 3.992 3.195 -17.996 1.00 0.00 H ATOM 457 HB ILE A 26 2.151 2.906 -15.587 1.00 0.00 H ATOM 458 HG12 ILE A 26 4.073 0.928 -16.860 1.00 0.00 H ATOM 459 HG13 ILE A 26 4.537 2.054 -15.562 1.00 0.00 H ATOM 460 HD11 ILE A 26 2.869 1.029 -14.077 1.00 0.00 H ATOM 461 HD12 ILE A 26 2.405 -0.097 -15.376 1.00 0.00 H ATOM 462 HD13 ILE A 26 4.040 -0.173 -14.673 1.00 0.00 H ATOM 463 HG21 ILE A 26 0.760 2.410 -17.540 1.00 0.00 H ATOM 464 HG22 ILE A 26 1.995 1.287 -18.161 1.00 0.00 H ATOM 465 HG23 ILE A 26 1.132 0.913 -16.649 1.00 0.00 H ATOM 466 H ILE A 26 4.029 4.456 -15.413 1.00 0.00 H ATOM 467 N LYS A 27 1.521 5.313 -17.337 1.00 22.19 N ATOM 468 CA LYS A 27 0.448 6.150 -17.895 1.00 23.76 C ATOM 469 C LYS A 27 0.890 7.020 -19.061 1.00 23.87 C ATOM 470 O LYS A 27 0.168 7.144 -20.053 1.00 25.19 O ATOM 471 CB LYS A 27 -0.177 7.046 -16.821 1.00 24.87 C ATOM 472 CG LYS A 27 -1.235 6.369 -15.971 1.00 29.06 C ATOM 473 CD LYS A 27 -1.822 7.348 -14.954 1.00 33.36 C ATOM 474 CE LYS A 27 -3.328 7.543 -15.141 1.00 35.87 C ATOM 475 NZ LYS A 27 -4.146 6.326 -14.816 1.00 40.68 N ATOM 476 HA LYS A 27 -0.289 5.442 -18.273 1.00 0.00 H ATOM 477 HB2 LYS A 27 0.619 7.392 -16.162 1.00 0.00 H ATOM 478 HB3 LYS A 27 -0.635 7.902 -17.316 1.00 0.00 H ATOM 479 HG2 LYS A 27 -2.033 6.003 -16.617 1.00 0.00 H ATOM 480 HG3 LYS A 27 -0.785 5.530 -15.441 1.00 0.00 H ATOM 481 HD2 LYS A 27 -1.640 6.963 -13.951 1.00 0.00 H ATOM 482 HD3 LYS A 27 -1.326 8.312 -15.068 1.00 0.00 H ATOM 483 HE2 LYS A 27 -3.513 7.813 -16.181 1.00 0.00 H ATOM 484 HE3 LYS A 27 -3.652 8.357 -14.493 1.00 0.00 H ATOM 485 HZ1 LYS A 27 -3.858 5.541 -15.434 1.00 0.00 H ATOM 486 HZ2 LYS A 27 -3.991 6.061 -13.822 1.00 0.00 H ATOM 487 HZ3 LYS A 27 -5.153 6.536 -14.967 1.00 0.00 H ATOM 488 H LYS A 27 1.763 5.431 -16.332 1.00 0.00 H ATOM 489 N LYS A 28 2.097 7.571 -18.958 1.00 24.20 N ATOM 490 CA LYS A 28 2.642 8.419 -20.012 1.00 25.75 C ATOM 491 C LYS A 28 3.061 7.604 -21.235 1.00 24.71 C ATOM 492 O LYS A 28 2.770 8.011 -22.363 1.00 24.26 O ATOM 493 CB LYS A 28 3.796 9.274 -19.493 1.00 27.19 C ATOM 494 CG LYS A 28 3.398 10.178 -18.323 1.00 33.24 C ATOM 495 CD LYS A 28 4.116 11.529 -18.259 1.00 36.85 C ATOM 496 CE LYS A 28 5.609 11.419 -18.001 1.00 38.97 C ATOM 497 NZ LYS A 28 6.339 11.037 -19.234 1.00 41.89 N ATOM 498 HA LYS A 28 1.846 9.092 -20.330 1.00 0.00 H ATOM 499 HB2 LYS A 28 4.597 8.612 -19.163 1.00 0.00 H ATOM 500 HB3 LYS A 28 4.157 9.901 -20.308 1.00 0.00 H ATOM 501 HG2 LYS A 28 2.327 10.370 -18.396 1.00 0.00 H ATOM 502 HG3 LYS A 28 3.608 9.642 -17.398 1.00 0.00 H ATOM 503 HD2 LYS A 28 3.968 12.042 -19.209 1.00 0.00 H ATOM 504 HD3 LYS A 28 3.671 12.117 -17.457 1.00 0.00 H ATOM 505 HE2 LYS A 28 5.783 10.663 -17.235 1.00 0.00 H ATOM 506 HE3 LYS A 28 5.982 12.382 -17.651 1.00 0.00 H ATOM 507 HZ1 LYS A 28 5.991 10.117 -19.570 1.00 0.00 H ATOM 508 HZ2 LYS A 28 6.180 11.758 -19.967 1.00 0.00 H ATOM 509 HZ3 LYS A 28 7.356 10.970 -19.027 1.00 0.00 H ATOM 510 H LYS A 28 2.665 7.393 -18.105 1.00 0.00 H ATOM 511 N LEU A 29 3.670 6.432 -21.009 1.00 22.74 N ATOM 512 CA LEU A 29 4.093 5.553 -22.108 1.00 23.50 C ATOM 513 C LEU A 29 2.858 4.981 -22.808 1.00 24.24 C ATOM 514 O LEU A 29 2.817 4.903 -24.041 1.00 23.62 O ATOM 515 CB LEU A 29 5.029 4.429 -21.618 1.00 23.54 C ATOM 516 CG LEU A 29 5.616 3.423 -22.635 1.00 22.13 C ATOM 517 CD1 LEU A 29 6.228 4.111 -23.866 1.00 21.39 C ATOM 518 CD2 LEU A 29 6.645 2.538 -21.948 1.00 20.68 C ATOM 519 HA LEU A 29 4.666 6.145 -22.822 1.00 0.00 H ATOM 520 HB2 LEU A 29 5.874 4.912 -21.127 1.00 0.00 H ATOM 521 HB3 LEU A 29 4.469 3.848 -20.885 1.00 0.00 H ATOM 522 HG LEU A 29 4.792 2.811 -23.001 1.00 0.00 H ATOM 523 HD21 LEU A 29 7.448 3.158 -21.549 1.00 0.00 H ATOM 524 HD22 LEU A 29 6.167 1.992 -21.134 1.00 0.00 H ATOM 525 HD23 LEU A 29 7.055 1.832 -22.670 1.00 0.00 H ATOM 526 HD11 LEU A 29 5.459 4.691 -24.376 1.00 0.00 H ATOM 527 HD12 LEU A 29 7.033 4.773 -23.548 1.00 0.00 H ATOM 528 HD13 LEU A 29 6.624 3.355 -24.544 1.00 0.00 H ATOM 529 H LEU A 29 3.848 6.136 -20.028 1.00 0.00 H ATOM 530 N LEU A 30 1.824 4.684 -22.017 1.00 24.55 N ATOM 531 CA LEU A 30 0.570 4.157 -22.543 1.00 23.31 C ATOM 532 C LEU A 30 -0.119 5.203 -23.418 1.00 23.93 C ATOM 533 O LEU A 30 -0.692 4.854 -24.451 1.00 24.20 O ATOM 534 CB LEU A 30 -0.346 3.682 -21.408 1.00 22.85 C ATOM 535 CG LEU A 30 -1.704 3.038 -21.722 1.00 22.47 C ATOM 536 CD1 LEU A 30 -1.599 1.879 -22.709 1.00 21.38 C ATOM 537 CD2 LEU A 30 -2.354 2.585 -20.437 1.00 21.40 C ATOM 538 HA LEU A 30 0.792 3.290 -23.165 1.00 0.00 H ATOM 539 HB2 LEU A 30 0.222 2.950 -20.833 1.00 0.00 H ATOM 540 HB3 LEU A 30 -0.549 4.553 -20.785 1.00 0.00 H ATOM 541 HG LEU A 30 -2.322 3.795 -22.205 1.00 0.00 H ATOM 542 HD21 LEU A 30 -1.711 1.857 -19.943 1.00 0.00 H ATOM 543 HD22 LEU A 30 -2.501 3.444 -19.783 1.00 0.00 H ATOM 544 HD23 LEU A 30 -3.318 2.128 -20.660 1.00 0.00 H ATOM 545 HD11 LEU A 30 -1.177 2.240 -23.647 1.00 0.00 H ATOM 546 HD12 LEU A 30 -0.953 1.106 -22.292 1.00 0.00 H ATOM 547 HD13 LEU A 30 -2.592 1.466 -22.890 1.00 0.00 H ATOM 548 H LEU A 30 1.916 4.833 -20.992 1.00 0.00 H ATOM 549 N GLN A 31 -0.009 6.479 -23.036 1.00 24.52 N ATOM 550 CA GLN A 31 -0.602 7.575 -23.810 1.00 24.78 C ATOM 551 C GLN A 31 0.171 7.843 -25.098 1.00 23.54 C ATOM 552 O GLN A 31 -0.393 8.344 -26.069 1.00 23.50 O ATOM 553 CB GLN A 31 -0.718 8.859 -22.982 1.00 27.18 C ATOM 554 CG GLN A 31 -1.821 8.844 -21.903 1.00 31.56 C ATOM 555 CD GLN A 31 -3.231 8.553 -22.433 1.00 34.46 C ATOM 556 OE1 GLN A 31 -3.953 7.729 -21.866 1.00 37.32 O ATOM 557 NE2 GLN A 31 -3.627 9.232 -23.508 1.00 33.34 N ATOM 558 HA GLN A 31 -1.608 7.254 -24.080 1.00 0.00 H ATOM 559 HB2 GLN A 31 0.238 9.029 -22.486 1.00 0.00 H ATOM 560 HB3 GLN A 31 -0.924 9.684 -23.664 1.00 0.00 H ATOM 561 HG2 GLN A 31 -1.569 8.078 -21.170 1.00 0.00 H ATOM 562 HG3 GLN A 31 -1.835 9.820 -21.417 1.00 0.00 H ATOM 563 HE22 GLN A 31 -2.986 9.918 -23.955 1.00 0.00 H ATOM 564 HE21 GLN A 31 -4.578 9.076 -23.900 1.00 0.00 H ATOM 565 H GLN A 31 0.512 6.702 -22.164 1.00 0.00 H ATOM 566 N LEU A 32 1.455 7.483 -25.102 1.00 23.04 N ATOM 567 CA LEU A 32 2.303 7.640 -26.284 1.00 23.41 C ATOM 568 C LEU A 32 1.940 6.560 -27.304 1.00 22.99 C ATOM 569 O LEU A 32 1.832 6.845 -28.496 1.00 23.38 O ATOM 570 CB LEU A 32 3.793 7.550 -25.925 1.00 22.24 C ATOM 571 CG LEU A 32 4.493 8.760 -25.294 1.00 22.99 C ATOM 572 CD1 LEU A 32 5.895 8.380 -24.873 1.00 22.43 C ATOM 573 CD2 LEU A 32 4.531 9.931 -26.254 1.00 24.84 C ATOM 574 HA LEU A 32 2.129 8.629 -26.709 1.00 0.00 H ATOM 575 HB2 LEU A 32 3.901 6.721 -25.226 1.00 0.00 H ATOM 576 HB3 LEU A 32 4.328 7.319 -26.846 1.00 0.00 H ATOM 577 HG LEU A 32 3.925 9.066 -24.415 1.00 0.00 H ATOM 578 HD21 LEU A 32 5.074 9.644 -27.154 1.00 0.00 H ATOM 579 HD22 LEU A 32 3.513 10.216 -26.518 1.00 0.00 H ATOM 580 HD23 LEU A 32 5.033 10.773 -25.778 1.00 0.00 H ATOM 581 HD11 LEU A 32 5.847 7.571 -24.145 1.00 0.00 H ATOM 582 HD12 LEU A 32 6.459 8.052 -25.746 1.00 0.00 H ATOM 583 HD13 LEU A 32 6.386 9.245 -24.426 1.00 0.00 H ATOM 584 H LEU A 32 1.867 7.078 -24.237 1.00 0.00 H ATOM 585 N THR A 33 1.682 5.343 -26.820 1.00 20.47 N ATOM 586 CA THR A 33 1.311 4.229 -27.697 1.00 20.52 C ATOM 587 C THR A 33 -0.066 4.427 -28.352 1.00 19.74 C ATOM 588 O THR A 33 -0.245 4.084 -29.519 1.00 19.75 O ATOM 589 CB THR A 33 1.354 2.877 -26.963 1.00 19.80 C ATOM 590 OG1 THR A 33 0.477 2.895 -25.830 1.00 21.10 O ATOM 591 CG2 THR A 33 2.773 2.532 -26.526 1.00 19.04 C ATOM 592 HA THR A 33 2.060 4.216 -28.489 1.00 0.00 H ATOM 593 HB THR A 33 1.017 2.108 -27.658 1.00 0.00 H ATOM 594 HG1 THR A 33 0.760 3.610 -25.206 1.00 0.00 H ATOM 595 HG23 THR A 33 3.428 2.522 -27.397 1.00 0.00 H ATOM 596 HG21 THR A 33 3.124 3.279 -25.814 1.00 0.00 H ATOM 597 HG22 THR A 33 2.778 1.549 -26.055 1.00 0.00 H ATOM 598 H THR A 33 1.746 5.181 -25.795 1.00 0.00 H ATOM 599 N VAL A 34 -1.007 5.017 -27.603 1.00 19.63 N ATOM 600 CA VAL A 34 -2.372 5.325 -28.071 1.00 18.69 C ATOM 601 C VAL A 34 -2.275 6.342 -29.219 1.00 18.69 C ATOM 602 O VAL A 34 -2.969 6.214 -30.228 1.00 19.53 O ATOM 603 CB VAL A 34 -3.257 5.909 -26.897 1.00 19.79 C ATOM 604 CG1 VAL A 34 -4.600 6.464 -27.405 1.00 19.63 C ATOM 605 CG2 VAL A 34 -3.528 4.829 -25.851 1.00 17.99 C ATOM 606 HA VAL A 34 -2.850 4.409 -28.419 1.00 0.00 H ATOM 607 HB VAL A 34 -2.694 6.730 -26.452 1.00 0.00 H ATOM 608 HG11 VAL A 34 -4.413 7.265 -28.121 1.00 0.00 H ATOM 609 HG12 VAL A 34 -5.162 5.665 -27.889 1.00 0.00 H ATOM 610 HG13 VAL A 34 -5.172 6.854 -26.563 1.00 0.00 H ATOM 611 HG21 VAL A 34 -4.057 3.998 -26.317 1.00 0.00 H ATOM 612 HG22 VAL A 34 -2.581 4.475 -25.442 1.00 0.00 H ATOM 613 HG23 VAL A 34 -4.138 5.246 -25.050 1.00 0.00 H ATOM 614 H VAL A 34 -0.759 5.275 -26.627 1.00 0.00 H ATOM 615 N TRP A 35 -1.378 7.318 -29.056 1.00 18.41 N ATOM 616 CA TRP A 35 -1.118 8.362 -30.050 1.00 18.23 C ATOM 617 C TRP A 35 -0.487 7.702 -31.289 1.00 17.39 C ATOM 618 O TRP A 35 -0.840 8.040 -32.414 1.00 16.77 O ATOM 619 CB TRP A 35 -0.174 9.437 -29.452 1.00 20.28 C ATOM 620 CG TRP A 35 0.199 10.599 -30.377 1.00 20.86 C ATOM 621 CD1 TRP A 35 -0.453 11.795 -30.491 1.00 22.69 C ATOM 622 CD2 TRP A 35 1.271 10.636 -31.345 1.00 20.88 C ATOM 623 NE1 TRP A 35 0.128 12.567 -31.473 1.00 23.64 N ATOM 624 CE2 TRP A 35 1.179 11.887 -32.013 1.00 22.53 C ATOM 625 CE3 TRP A 35 2.285 9.728 -31.717 1.00 20.73 C ATOM 626 CZ2 TRP A 35 2.080 12.255 -33.050 1.00 22.59 C ATOM 627 CZ3 TRP A 35 3.179 10.093 -32.750 1.00 20.91 C ATOM 628 CH2 TRP A 35 3.065 11.352 -33.404 1.00 22.21 C ATOM 629 HA TRP A 35 -2.046 8.857 -30.336 1.00 0.00 H ATOM 630 HB2 TRP A 35 -0.662 9.856 -28.572 1.00 0.00 H ATOM 631 HB3 TRP A 35 0.749 8.940 -29.153 1.00 0.00 H ATOM 632 HE1 TRP A 35 -0.185 13.517 -31.757 1.00 0.00 H ATOM 633 HD1 TRP A 35 -1.311 12.095 -29.890 1.00 0.00 H ATOM 634 HZ2 TRP A 35 1.996 13.220 -33.550 1.00 0.00 H ATOM 635 HH2 TRP A 35 3.767 11.609 -34.198 1.00 0.00 H ATOM 636 HZ3 TRP A 35 3.966 9.401 -33.049 1.00 0.00 H ATOM 637 HE3 TRP A 35 2.377 8.764 -31.218 1.00 0.00 H ATOM 638 H TRP A 35 -0.832 7.338 -28.171 1.00 0.00 H ATOM 639 N GLY A 36 0.450 6.777 -31.054 1.00 16.97 N ATOM 640 CA GLY A 36 1.140 6.060 -32.120 1.00 17.63 C ATOM 641 C GLY A 36 0.238 5.209 -33.005 1.00 16.68 C ATOM 642 O GLY A 36 0.363 5.244 -34.228 1.00 14.81 O ATOM 643 HA3 GLY A 36 1.883 5.406 -31.664 1.00 0.00 H ATOM 644 HA2 GLY A 36 1.642 6.792 -32.752 1.00 0.00 H ATOM 645 H GLY A 36 0.697 6.559 -30.068 1.00 0.00 H ATOM 646 N ILE A 37 -0.687 4.474 -32.386 1.00 16.66 N ATOM 647 CA ILE A 37 -1.651 3.631 -33.107 1.00 17.40 C ATOM 648 C ILE A 37 -2.588 4.525 -33.942 1.00 18.61 C ATOM 649 O ILE A 37 -2.966 4.162 -35.058 1.00 18.43 O ATOM 650 CB ILE A 37 -2.463 2.746 -32.111 1.00 17.91 C ATOM 651 CG1 ILE A 37 -1.530 1.716 -31.478 1.00 18.18 C ATOM 652 CG2 ILE A 37 -3.618 1.996 -32.801 1.00 17.37 C ATOM 653 CD1 ILE A 37 -2.030 1.187 -30.185 1.00 17.05 C ATOM 654 HA ILE A 37 -1.112 2.961 -33.777 1.00 0.00 H ATOM 655 HB ILE A 37 -2.890 3.411 -31.360 1.00 0.00 H ATOM 656 HG12 ILE A 37 -1.413 0.883 -32.171 1.00 0.00 H ATOM 657 HG13 ILE A 37 -0.561 2.185 -31.309 1.00 0.00 H ATOM 658 HD11 ILE A 37 -2.142 2.008 -29.477 1.00 0.00 H ATOM 659 HD12 ILE A 37 -2.995 0.705 -30.340 1.00 0.00 H ATOM 660 HD13 ILE A 37 -1.319 0.461 -29.792 1.00 0.00 H ATOM 661 HG21 ILE A 37 -4.303 2.717 -33.247 1.00 0.00 H ATOM 662 HG22 ILE A 37 -3.215 1.347 -33.578 1.00 0.00 H ATOM 663 HG23 ILE A 37 -4.151 1.395 -32.064 1.00 0.00 H ATOM 664 H ILE A 37 -0.728 4.499 -31.347 1.00 0.00 H ATOM 665 N LYS A 38 -2.869 5.725 -33.424 1.00 18.79 N ATOM 666 CA LYS A 38 -3.740 6.708 -34.083 1.00 20.95 C ATOM 667 C LYS A 38 -3.151 7.260 -35.374 1.00 19.37 C ATOM 668 O LYS A 38 -3.870 7.405 -36.361 1.00 18.97 O ATOM 669 CB LYS A 38 -4.068 7.859 -33.122 1.00 21.45 C ATOM 670 CG LYS A 38 -5.284 8.699 -33.508 1.00 24.21 C ATOM 671 CD LYS A 38 -5.431 9.914 -32.589 1.00 28.36 C ATOM 672 CE LYS A 38 -6.584 10.819 -33.010 1.00 30.33 C ATOM 673 NZ LYS A 38 -7.903 10.154 -32.864 1.00 33.22 N ATOM 674 HA LYS A 38 -4.654 6.179 -34.353 1.00 0.00 H ATOM 675 HB2 LYS A 38 -4.251 7.434 -32.135 1.00 0.00 H ATOM 676 HB3 LYS A 38 -3.202 8.519 -33.077 1.00 0.00 H ATOM 677 HG2 LYS A 38 -5.168 9.042 -34.536 1.00 0.00 H ATOM 678 HG3 LYS A 38 -6.181 8.084 -33.431 1.00 0.00 H ATOM 679 HD2 LYS A 38 -5.611 9.565 -31.572 1.00 0.00 H ATOM 680 HD3 LYS A 38 -4.505 10.489 -32.616 1.00 0.00 H ATOM 681 HE2 LYS A 38 -6.446 11.100 -34.054 1.00 0.00 H ATOM 682 HE3 LYS A 38 -6.572 11.715 -32.389 1.00 0.00 H ATOM 683 HZ1 LYS A 38 -7.928 9.301 -33.459 1.00 0.00 H ATOM 684 HZ2 LYS A 38 -8.048 9.888 -31.869 1.00 0.00 H ATOM 685 HZ3 LYS A 38 -8.655 10.808 -33.162 1.00 0.00 H ATOM 686 H LYS A 38 -2.449 5.976 -32.506 1.00 0.00 H ATOM 687 N GLN A 39 -1.844 7.530 -35.366 1.00 19.00 N ATOM 688 CA GLN A 39 -1.153 8.056 -36.547 1.00 20.53 C ATOM 689 C GLN A 39 -0.995 6.987 -37.605 1.00 20.01 C ATOM 690 O GLN A 39 -1.112 7.282 -38.795 1.00 21.27 O ATOM 691 CB GLN A 39 0.232 8.615 -36.210 1.00 21.05 C ATOM 692 CG GLN A 39 0.301 9.540 -35.021 1.00 23.10 C ATOM 693 CD GLN A 39 -0.699 10.679 -35.039 1.00 26.07 C ATOM 694 OE1 GLN A 39 -1.592 10.743 -34.189 1.00 29.91 O ATOM 695 NE2 GLN A 39 -0.542 11.595 -35.985 1.00 27.98 N ATOM 696 HA GLN A 39 -1.776 8.867 -36.925 1.00 0.00 H ATOM 697 HB2 GLN A 39 0.894 7.771 -36.015 1.00 0.00 H ATOM 698 HB3 GLN A 39 0.591 9.164 -37.081 1.00 0.00 H ATOM 699 HG2 GLN A 39 0.126 8.949 -34.122 1.00 0.00 H ATOM 700 HG3 GLN A 39 1.302 9.969 -34.983 1.00 0.00 H ATOM 701 HE22 GLN A 39 0.226 11.498 -36.680 1.00 0.00 H ATOM 702 HE21 GLN A 39 -1.186 12.410 -36.032 1.00 0.00 H ATOM 703 H GLN A 39 -1.300 7.362 -34.496 1.00 0.00 H ATOM 704 N LEU A 40 -0.726 5.754 -37.161 1.00 19.38 N ATOM 705 CA LEU A 40 -0.565 4.614 -38.066 1.00 19.99 C ATOM 706 C LEU A 40 -1.875 4.283 -38.752 1.00 19.65 C ATOM 707 O LEU A 40 -1.888 4.095 -39.966 1.00 21.31 O ATOM 708 CB LEU A 40 -0.029 3.367 -37.349 1.00 18.54 C ATOM 709 CG LEU A 40 1.426 3.337 -36.872 1.00 19.17 C ATOM 710 CD1 LEU A 40 1.768 1.927 -36.420 1.00 16.81 C ATOM 711 CD2 LEU A 40 2.372 3.793 -37.973 1.00 20.51 C ATOM 712 HA LEU A 40 0.172 4.912 -38.812 1.00 0.00 H ATOM 713 HB2 LEU A 40 -0.654 3.214 -36.469 1.00 0.00 H ATOM 714 HB3 LEU A 40 -0.156 2.529 -38.034 1.00 0.00 H ATOM 715 HG LEU A 40 1.543 4.027 -36.036 1.00 0.00 H ATOM 716 HD21 LEU A 40 2.272 3.131 -38.833 1.00 0.00 H ATOM 717 HD22 LEU A 40 2.121 4.812 -38.267 1.00 0.00 H ATOM 718 HD23 LEU A 40 3.398 3.761 -37.605 1.00 0.00 H ATOM 719 HD11 LEU A 40 1.106 1.638 -35.603 1.00 0.00 H ATOM 720 HD12 LEU A 40 1.639 1.238 -37.255 1.00 0.00 H ATOM 721 HD13 LEU A 40 2.803 1.897 -36.079 1.00 0.00 H ATOM 722 H LEU A 40 -0.628 5.600 -36.137 1.00 0.00 H ATOM 723 N GLN A 41 -2.975 4.297 -37.990 1.00 18.79 N ATOM 724 CA GLN A 41 -4.308 4.018 -38.533 1.00 20.51 C ATOM 725 C GLN A 41 -4.718 5.091 -39.541 1.00 21.20 C ATOM 726 O GLN A 41 -5.193 4.761 -40.623 1.00 20.98 O ATOM 727 CB GLN A 41 -5.364 3.945 -37.426 1.00 19.45 C ATOM 728 CG GLN A 41 -6.712 3.410 -37.908 1.00 19.58 C ATOM 729 CD GLN A 41 -7.869 3.766 -37.004 1.00 20.31 C ATOM 730 OE1 GLN A 41 -7.827 4.749 -36.261 1.00 21.99 O ATOM 731 NE2 GLN A 41 -8.927 2.973 -37.078 1.00 21.89 N ATOM 732 HA GLN A 41 -4.252 3.050 -39.030 1.00 0.00 H ATOM 733 HB2 GLN A 41 -4.994 3.290 -36.637 1.00 0.00 H ATOM 734 HB3 GLN A 41 -5.513 4.947 -37.024 1.00 0.00 H ATOM 735 HG2 GLN A 41 -6.911 3.820 -38.898 1.00 0.00 H ATOM 736 HG3 GLN A 41 -6.648 2.324 -37.972 1.00 0.00 H ATOM 737 HE22 GLN A 41 -8.919 2.154 -37.719 1.00 0.00 H ATOM 738 HE21 GLN A 41 -9.766 3.169 -36.495 1.00 0.00 H ATOM 739 H GLN A 41 -2.881 4.513 -36.977 1.00 0.00 H ATOM 740 N ALA A 42 -4.482 6.358 -39.185 1.00 21.97 N ATOM 741 CA ALA A 42 -4.808 7.513 -40.034 1.00 24.93 C ATOM 742 C ALA A 42 -4.046 7.482 -41.359 1.00 25.66 C ATOM 743 O ALA A 42 -4.594 7.855 -42.397 1.00 26.84 O ATOM 744 CB ALA A 42 -4.526 8.814 -39.295 1.00 25.69 C ATOM 745 HA ALA A 42 -5.872 7.456 -40.265 1.00 0.00 H ATOM 746 HB1 ALA A 42 -5.133 8.856 -38.391 1.00 0.00 H ATOM 747 HB2 ALA A 42 -3.470 8.857 -39.028 1.00 0.00 H ATOM 748 HB3 ALA A 42 -4.773 9.657 -39.940 1.00 0.00 H ATOM 749 H ALA A 42 -4.045 6.536 -38.258 1.00 0.00 H ATOM 750 N ARG A 43 -2.808 6.984 -41.315 1.00 27.35 N ATOM 751 CA ARG A 43 -1.951 6.864 -42.497 1.00 29.23 C ATOM 752 C ARG A 43 -2.379 5.721 -43.426 1.00 29.77 C ATOM 753 O ARG A 43 -2.377 5.903 -44.644 1.00 31.26 O ATOM 754 CB ARG A 43 -0.483 6.680 -42.094 1.00 31.18 C ATOM 755 CG ARG A 43 0.495 6.601 -43.271 1.00 34.63 C ATOM 756 CD ARG A 43 1.922 6.422 -42.811 1.00 40.69 C ATOM 757 NE ARG A 43 2.413 7.568 -42.052 1.00 45.24 N ATOM 758 CZ ARG A 43 3.208 8.512 -42.548 1.00 47.82 C ATOM 759 NH1 ARG A 43 3.618 8.459 -43.813 1.00 50.14 N ATOM 760 NH2 ARG A 43 3.590 9.520 -41.777 1.00 49.06 N ATOM 761 HA ARG A 43 -2.062 7.797 -43.050 1.00 0.00 H ATOM 762 HB2 ARG A 43 -0.194 7.523 -41.467 1.00 0.00 H ATOM 763 HB3 ARG A 43 -0.401 5.757 -41.520 1.00 0.00 H ATOM 764 HG2 ARG A 43 0.220 5.755 -43.901 1.00 0.00 H ATOM 765 HG3 ARG A 43 0.425 7.522 -43.850 1.00 0.00 H ATOM 766 HD2 ARG A 43 2.557 6.284 -43.686 1.00 0.00 H ATOM 767 HD3 ARG A 43 1.977 5.535 -42.180 1.00 0.00 H ATOM 768 HE ARG A 43 2.122 7.652 -41.057 1.00 0.00 H ATOM 769 HH12 ARG A 43 4.240 9.203 -44.190 1.00 0.00 H ATOM 770 HH11 ARG A 43 3.317 7.674 -44.425 1.00 0.00 H ATOM 771 HH22 ARG A 43 4.212 10.261 -42.160 1.00 0.00 H ATOM 772 HH21 ARG A 43 3.268 9.570 -40.789 1.00 0.00 H ATOM 773 H ARG A 43 -2.434 6.666 -40.398 1.00 0.00 H ATOM 774 N ILE A 44 -2.765 4.570 -42.863 1.00 29.11 N ATOM 775 CA ILE A 44 -3.171 3.424 -43.687 1.00 30.52 C ATOM 776 C ILE A 44 -4.603 3.475 -44.228 1.00 30.30 C ATOM 777 O ILE A 44 -4.939 2.748 -45.170 1.00 32.75 O ATOM 778 CB ILE A 44 -2.833 2.027 -43.036 1.00 31.96 C ATOM 779 CG1 ILE A 44 -3.876 1.582 -42.012 1.00 34.03 C ATOM 780 CG2 ILE A 44 -1.448 2.060 -42.408 1.00 30.68 C ATOM 781 CD1 ILE A 44 -3.630 0.181 -41.494 1.00 35.89 C ATOM 782 HA ILE A 44 -2.539 3.526 -44.569 1.00 0.00 H ATOM 783 HB ILE A 44 -2.849 1.290 -43.839 1.00 0.00 H ATOM 784 HG12 ILE A 44 -3.855 2.274 -41.170 1.00 0.00 H ATOM 785 HG13 ILE A 44 -4.860 1.612 -42.481 1.00 0.00 H ATOM 786 HD11 ILE A 44 -3.658 -0.523 -42.326 1.00 0.00 H ATOM 787 HD12 ILE A 44 -2.652 0.139 -41.014 1.00 0.00 H ATOM 788 HD13 ILE A 44 -4.403 -0.078 -40.771 1.00 0.00 H ATOM 789 HG21 ILE A 44 -0.708 2.285 -43.176 1.00 0.00 H ATOM 790 HG22 ILE A 44 -1.418 2.830 -41.637 1.00 0.00 H ATOM 791 HG23 ILE A 44 -1.229 1.089 -41.963 1.00 0.00 H ATOM 792 H ILE A 44 -2.778 4.486 -41.826 1.00 0.00 H ATOM 793 N LEU A 45 -5.435 4.325 -43.625 1.00 29.16 N ATOM 794 CA LEU A 45 -6.816 4.507 -44.065 1.00 27.31 C ATOM 795 C LEU A 45 -6.912 5.722 -44.980 1.00 26.44 C ATOM 796 O LEU A 45 -7.819 5.821 -45.803 1.00 25.60 O ATOM 797 CB LEU A 45 -7.766 4.677 -42.876 1.00 27.54 C ATOM 798 CG LEU A 45 -8.158 3.465 -42.026 1.00 25.30 C ATOM 799 CD1 LEU A 45 -9.141 3.937 -40.972 1.00 25.50 C ATOM 800 CD2 LEU A 45 -8.789 2.366 -42.873 1.00 24.96 C ATOM 801 HA LEU A 45 -7.115 3.612 -44.610 1.00 0.00 H ATOM 802 HB2 LEU A 45 -7.301 5.396 -42.202 1.00 0.00 H ATOM 803 HB3 LEU A 45 -8.691 5.097 -43.271 1.00 0.00 H ATOM 804 HG LEU A 45 -7.265 3.042 -41.566 1.00 0.00 H ATOM 805 HD21 LEU A 45 -9.686 2.752 -43.357 1.00 0.00 H ATOM 806 HD22 LEU A 45 -8.077 2.040 -43.631 1.00 0.00 H ATOM 807 HD23 LEU A 45 -9.053 1.523 -42.234 1.00 0.00 H ATOM 808 HD11 LEU A 45 -8.669 4.698 -40.351 1.00 0.00 H ATOM 809 HD12 LEU A 45 -10.020 4.358 -41.460 1.00 0.00 H ATOM 810 HD13 LEU A 45 -9.438 3.093 -40.350 1.00 0.00 H ATOM 811 H LEU A 45 -5.089 4.877 -42.814 1.00 0.00 H TER 812 LEU A 45 HETATM 813 CA ACE B 0 -2.552 8.154 21.734 1.00 30.07 C HETATM 814 C ACE B 0 -1.871 7.768 20.452 1.00 30.84 C HETATM 815 O ACE B 0 -2.313 8.154 19.372 1.00 30.68 O HETATM 816 H3 ACE B 0 -2.014 7.718 22.575 1.00 0.00 H HETATM 817 H2 ACE B 0 -3.577 7.784 21.725 1.00 0.00 H HETATM 818 H1 ACE B 0 -2.557 9.240 21.828 1.00 0.00 H ATOM 819 N ARG B 1 -0.790 6.997 20.565 1.00 30.63 N ATOM 820 CA ARG B 1 -0.021 6.535 19.410 1.00 30.88 C ATOM 821 C ARG B 1 -0.763 5.512 18.550 1.00 31.80 C ATOM 822 O ARG B 1 -0.745 5.612 17.324 1.00 30.82 O ATOM 823 CB ARG B 1 1.319 5.951 19.861 1.00 30.07 C ATOM 824 CG ARG B 1 2.378 7.000 20.145 1.00 31.91 C ATOM 825 CD ARG B 1 3.598 6.417 20.859 1.00 32.36 C ATOM 826 NE ARG B 1 4.459 5.595 20.003 1.00 32.74 N ATOM 827 CZ ARG B 1 5.344 4.703 20.448 1.00 32.71 C ATOM 828 NH1 ARG B 1 5.505 4.488 21.747 1.00 32.30 N ATOM 829 NH2 ARG B 1 6.096 4.035 19.587 1.00 33.01 N ATOM 830 HA ARG B 1 0.141 7.414 18.786 1.00 0.00 H ATOM 831 HB2 ARG B 1 1.154 5.373 20.770 1.00 0.00 H ATOM 832 HB3 ARG B 1 1.689 5.292 19.076 1.00 0.00 H ATOM 833 HG2 ARG B 1 2.701 7.437 19.200 1.00 0.00 H ATOM 834 HG3 ARG B 1 1.942 7.777 20.773 1.00 0.00 H ATOM 835 HD2 ARG B 1 3.248 5.799 21.686 1.00 0.00 H ATOM 836 HD3 ARG B 1 4.192 7.243 21.250 1.00 0.00 H ATOM 837 HE ARG B 1 4.373 5.717 18.974 1.00 0.00 H ATOM 838 HH12 ARG B 1 6.200 3.788 22.076 1.00 0.00 H ATOM 839 HH11 ARG B 1 4.936 5.019 22.436 1.00 0.00 H ATOM 840 HH22 ARG B 1 6.787 3.339 19.931 1.00 0.00 H ATOM 841 HH21 ARG B 1 5.995 4.207 18.566 1.00 0.00 H ATOM 842 H ARG B 1 -0.480 6.711 21.516 1.00 0.00 H ATOM 843 N MET B 2 -1.458 4.573 19.206 1.00 32.54 N ATOM 844 CA MET B 2 -2.225 3.490 18.547 1.00 33.98 C ATOM 845 C MET B 2 -3.304 4.033 17.666 1.00 34.05 C ATOM 846 O MET B 2 -3.628 3.544 16.594 1.00 34.40 O ATOM 847 CB MET B 2 -2.875 2.603 19.590 1.00 34.76 C ATOM 848 CG MET B 2 -2.079 1.383 19.901 1.00 36.61 C ATOM 849 SD MET B 2 -2.887 0.388 21.141 1.00 41.91 S ATOM 850 CE MET B 2 -1.572 0.260 22.327 1.00 39.39 C ATOM 851 HA MET B 2 -1.519 2.922 17.941 1.00 0.00 H ATOM 852 HB2 MET B 2 -2.999 3.179 20.507 1.00 0.00 H ATOM 853 HB3 MET B 2 -3.853 2.294 19.222 1.00 0.00 H ATOM 854 HG2 MET B 2 -1.097 1.682 20.268 1.00 0.00 H ATOM 855 HG3 MET B 2 -1.961 0.793 18.992 1.00 0.00 H ATOM 856 HE1 MET B 2 -0.711 -0.220 21.862 1.00 0.00 H ATOM 857 HE2 MET B 2 -1.294 1.257 22.668 1.00 0.00 H ATOM 858 HE3 MET B 2 -1.907 -0.335 23.176 1.00 0.00 H ATOM 859 H MET B 2 -1.459 4.606 20.245 1.00 0.00 H ATOM 860 N LYS B 3 -3.750 5.171 18.125 1.00 34.60 N ATOM 861 CA LYS B 3 -4.775 5.908 17.482 1.00 35.63 C ATOM 862 C LYS B 3 -4.336 6.567 16.174 1.00 35.86 C ATOM 863 O LYS B 3 -5.102 6.647 15.198 1.00 33.68 O ATOM 864 CB LYS B 3 -5.225 6.904 18.508 1.00 38.25 C ATOM 865 CG LYS B 3 -6.631 7.138 18.393 1.00 40.94 C ATOM 866 CD LYS B 3 -6.900 8.433 17.674 1.00 43.82 C ATOM 867 CE LYS B 3 -7.600 9.334 18.646 1.00 45.84 C ATOM 868 NZ LYS B 3 -6.548 9.773 19.630 1.00 47.85 N ATOM 869 HA LYS B 3 -5.584 5.253 17.160 1.00 0.00 H ATOM 870 HB2 LYS B 3 -5.005 6.519 19.504 1.00 0.00 H ATOM 871 HB3 LYS B 3 -4.691 7.842 18.357 1.00 0.00 H ATOM 872 HG2 LYS B 3 -7.086 6.319 17.836 1.00 0.00 H ATOM 873 HG3 LYS B 3 -7.069 7.185 19.390 1.00 0.00 H ATOM 874 HD2 LYS B 3 -5.962 8.885 17.352 1.00 0.00 H ATOM 875 HD3 LYS B 3 -7.533 8.255 16.805 1.00 0.00 H ATOM 876 HE2 LYS B 3 -8.397 8.795 19.158 1.00 0.00 H ATOM 877 HE3 LYS B 3 -8.020 10.197 18.129 1.00 0.00 H ATOM 878 HZ1 LYS B 3 -6.151 8.938 20.107 1.00 0.00 H ATOM 879 HZ2 LYS B 3 -5.792 10.277 19.125 1.00 0.00 H ATOM 880 HZ3 LYS B 3 -6.977 10.406 20.335 1.00 0.00 H ATOM 881 H LYS B 3 -3.335 5.552 18.999 1.00 0.00 H ATOM 882 N GLN B 4 -3.156 7.169 16.233 1.00 35.29 N ATOM 883 CA GLN B 4 -2.544 7.820 15.090 1.00 34.93 C ATOM 884 C GLN B 4 -2.142 6.760 14.071 1.00 32.68 C ATOM 885 O GLN B 4 -2.272 6.985 12.868 1.00 31.99 O ATOM 886 CB GLN B 4 -1.341 8.666 15.518 1.00 37.92 C ATOM 887 CG GLN B 4 -1.762 10.032 16.044 1.00 44.18 C ATOM 888 CD GLN B 4 -0.632 10.839 16.652 1.00 47.11 C ATOM 889 OE1 GLN B 4 0.391 11.082 16.011 1.00 50.86 O ATOM 890 NE2 GLN B 4 -0.832 11.300 17.882 1.00 48.68 N ATOM 891 HA GLN B 4 -3.264 8.499 14.633 1.00 0.00 H ATOM 892 HB2 GLN B 4 -0.800 8.138 16.303 1.00 0.00 H ATOM 893 HB3 GLN B 4 -0.685 8.806 14.659 1.00 0.00 H ATOM 894 HG2 GLN B 4 -2.183 10.603 15.216 1.00 0.00 H ATOM 895 HG3 GLN B 4 -2.526 9.884 16.807 1.00 0.00 H ATOM 896 HE22 GLN B 4 -1.712 11.070 18.387 1.00 0.00 H ATOM 897 HE21 GLN B 4 -0.109 11.891 18.340 1.00 0.00 H ATOM 898 H GLN B 4 -2.646 7.175 17.139 1.00 0.00 H ATOM 899 N ILE B 5 -1.758 5.577 14.571 1.00 30.34 N ATOM 900 CA ILE B 5 -1.375 4.425 13.745 1.00 27.94 C ATOM 901 C ILE B 5 -2.622 3.941 12.992 1.00 27.67 C ATOM 902 O ILE B 5 -2.558 3.722 11.784 1.00 28.06 O ATOM 903 CB ILE B 5 -0.744 3.270 14.621 1.00 27.47 C ATOM 904 CG1 ILE B 5 0.693 3.634 15.016 1.00 28.71 C ATOM 905 CG2 ILE B 5 -0.774 1.907 13.907 1.00 24.80 C ATOM 906 CD1 ILE B 5 1.268 2.793 16.166 1.00 29.88 C ATOM 907 HA ILE B 5 -0.607 4.723 13.031 1.00 0.00 H ATOM 908 HB ILE B 5 -1.355 3.173 15.518 1.00 0.00 H ATOM 909 HG12 ILE B 5 1.331 3.499 14.143 1.00 0.00 H ATOM 910 HG13 ILE B 5 0.709 4.681 15.318 1.00 0.00 H ATOM 911 HD11 ILE B 5 0.651 2.924 17.055 1.00 0.00 H ATOM 912 HD12 ILE B 5 1.274 1.742 15.878 1.00 0.00 H ATOM 913 HD13 ILE B 5 2.286 3.118 16.378 1.00 0.00 H ATOM 914 HG21 ILE B 5 -1.807 1.636 13.686 1.00 0.00 H ATOM 915 HG22 ILE B 5 -0.208 1.972 12.978 1.00 0.00 H ATOM 916 HG23 ILE B 5 -0.329 1.150 14.553 1.00 0.00 H ATOM 917 H ILE B 5 -1.730 5.469 15.605 1.00 0.00 H ATOM 918 N GLU B 6 -3.753 3.860 13.703 1.00 26.62 N ATOM 919 CA GLU B 6 -5.041 3.425 13.142 1.00 26.80 C ATOM 920 C GLU B 6 -5.551 4.317 12.003 1.00 26.49 C ATOM 921 O GLU B 6 -6.006 3.809 10.970 1.00 24.99 O ATOM 922 CB GLU B 6 -6.099 3.312 14.247 1.00 27.73 C ATOM 923 CG GLU B 6 -5.989 2.029 15.079 1.00 29.51 C ATOM 924 CD GLU B 6 -6.809 2.043 16.373 1.00 31.71 C ATOM 925 OE1 GLU B 6 -7.004 0.949 16.945 1.00 33.77 O ATOM 926 OE2 GLU B 6 -7.243 3.124 16.833 1.00 30.67 O ATOM 927 HA GLU B 6 -4.862 2.443 12.703 1.00 0.00 H ATOM 928 HB2 GLU B 6 -5.991 4.166 14.916 1.00 0.00 H ATOM 929 HB3 GLU B 6 -7.085 3.338 13.783 1.00 0.00 H ATOM 930 HG2 GLU B 6 -6.331 1.195 14.467 1.00 0.00 H ATOM 931 HG3 GLU B 6 -4.941 1.880 15.340 1.00 0.00 H ATOM 932 H GLU B 6 -3.719 4.119 14.710 1.00 0.00 H ATOM 933 N ASP B 7 -5.404 5.635 12.175 1.00 26.53 N ATOM 934 CA ASP B 7 -5.823 6.622 11.177 1.00 26.62 C ATOM 935 C ASP B 7 -4.859 6.677 9.992 1.00 26.17 C ATOM 936 O ASP B 7 -5.266 6.994 8.871 1.00 26.46 O ATOM 937 CB ASP B 7 -5.991 8.007 11.817 1.00 27.89 C ATOM 938 CG ASP B 7 -7.245 8.109 12.695 1.00 30.87 C ATOM 939 OD1 ASP B 7 -7.389 9.130 13.403 1.00 33.62 O ATOM 940 OD2 ASP B 7 -8.092 7.184 12.678 1.00 29.89 O ATOM 941 HA ASP B 7 -6.791 6.305 10.790 1.00 0.00 H ATOM 942 HB2 ASP B 7 -5.116 8.214 12.433 1.00 0.00 H ATOM 943 HB3 ASP B 7 -6.060 8.751 11.024 1.00 0.00 H ATOM 944 H ASP B 7 -4.972 5.975 13.058 1.00 0.00 H ATOM 945 N LYS B 8 -3.602 6.306 10.242 1.00 25.27 N ATOM 946 CA LYS B 8 -2.563 6.271 9.211 1.00 25.45 C ATOM 947 C LYS B 8 -2.796 5.059 8.305 1.00 24.08 C ATOM 948 O LYS B 8 -2.658 5.164 7.088 1.00 25.05 O ATOM 949 CB LYS B 8 -1.168 6.199 9.852 1.00 26.56 C ATOM 950 CG LYS B 8 -0.003 6.441 8.904 1.00 27.92 C ATOM 951 CD LYS B 8 -0.085 7.812 8.244 1.00 33.03 C ATOM 952 CE LYS B 8 1.020 8.001 7.239 1.00 34.19 C ATOM 953 NZ LYS B 8 0.849 9.240 6.429 1.00 34.88 N ATOM 954 HA LYS B 8 -2.614 7.184 8.618 1.00 0.00 H ATOM 955 HB2 LYS B 8 -1.121 6.949 10.642 1.00 0.00 H ATOM 956 HB3 LYS B 8 -1.048 5.207 10.287 1.00 0.00 H ATOM 957 HG2 LYS B 8 0.929 6.375 9.466 1.00 0.00 H ATOM 958 HG3 LYS B 8 -0.014 5.675 8.129 1.00 0.00 H ATOM 959 HD2 LYS B 8 -1.046 7.906 7.738 1.00 0.00 H ATOM 960 HD3 LYS B 8 -0.003 8.582 9.012 1.00 0.00 H ATOM 961 HE2 LYS B 8 1.032 7.143 6.567 1.00 0.00 H ATOM 962 HE3 LYS B 8 1.970 8.059 7.770 1.00 0.00 H ATOM 963 HZ1 LYS B 8 -0.051 9.192 5.911 1.00 0.00 H ATOM 964 HZ2 LYS B 8 0.844 10.067 7.060 1.00 0.00 H ATOM 965 HZ3 LYS B 8 1.635 9.322 5.753 1.00 0.00 H ATOM 966 H LYS B 8 -3.349 6.029 11.212 1.00 0.00 H ATOM 967 N ILE B 9 -3.205 3.942 8.915 1.00 21.85 N ATOM 968 CA ILE B 9 -3.508 2.684 8.223 1.00 21.77 C ATOM 969 C ILE B 9 -4.695 2.884 7.263 1.00 22.33 C ATOM 970 O ILE B 9 -4.698 2.347 6.150 1.00 23.18 O ATOM 971 CB ILE B 9 -3.778 1.546 9.265 1.00 22.12 C ATOM 972 CG1 ILE B 9 -2.444 0.984 9.762 1.00 21.03 C ATOM 973 CG2 ILE B 9 -4.679 0.437 8.709 1.00 22.91 C ATOM 974 CD1 ILE B 9 -2.570 0.046 10.929 1.00 21.86 C ATOM 975 HA ILE B 9 -2.649 2.380 7.625 1.00 0.00 H ATOM 976 HB ILE B 9 -4.322 1.980 10.104 1.00 0.00 H ATOM 977 HG12 ILE B 9 -1.971 0.447 8.940 1.00 0.00 H ATOM 978 HG13 ILE B 9 -1.810 1.819 10.061 1.00 0.00 H ATOM 979 HD11 ILE B 9 -3.030 0.570 11.767 1.00 0.00 H ATOM 980 HD12 ILE B 9 -3.191 -0.804 10.645 1.00 0.00 H ATOM 981 HD13 ILE B 9 -1.580 -0.306 11.219 1.00 0.00 H ATOM 982 HG21 ILE B 9 -5.640 0.862 8.421 1.00 0.00 H ATOM 983 HG22 ILE B 9 -4.203 -0.013 7.838 1.00 0.00 H ATOM 984 HG23 ILE B 9 -4.831 -0.324 9.475 1.00 0.00 H ATOM 985 H ILE B 9 -3.316 3.966 9.949 1.00 0.00 H ATOM 986 N GLU B 10 -5.663 3.696 7.694 1.00 21.42 N ATOM 987 CA GLU B 10 -6.852 4.016 6.905 1.00 20.46 C ATOM 988 C GLU B 10 -6.489 4.867 5.694 1.00 20.58 C ATOM 989 O GLU B 10 -7.094 4.731 4.634 1.00 21.80 O ATOM 990 CB GLU B 10 -7.874 4.740 7.770 1.00 19.32 C ATOM 991 CG GLU B 10 -8.503 3.838 8.823 1.00 18.92 C ATOM 992 CD GLU B 10 -9.231 4.595 9.922 1.00 19.03 C ATOM 993 OE1 GLU B 10 -9.855 3.920 10.768 1.00 22.61 O ATOM 994 OE2 GLU B 10 -9.180 5.848 9.958 1.00 17.93 O ATOM 995 HA GLU B 10 -7.287 3.083 6.547 1.00 0.00 H ATOM 996 HB2 GLU B 10 -7.378 5.570 8.274 1.00 0.00 H ATOM 997 HB3 GLU B 10 -8.664 5.127 7.126 1.00 0.00 H ATOM 998 HG2 GLU B 10 -9.216 3.178 8.329 1.00 0.00 H ATOM 999 HG3 GLU B 10 -7.714 3.241 9.281 1.00 0.00 H ATOM 1000 H GLU B 10 -5.567 4.122 8.638 1.00 0.00 H ATOM 1001 N GLU B 11 -5.470 5.711 5.854 1.00 21.60 N ATOM 1002 CA GLU B 11 -4.986 6.567 4.773 1.00 23.43 C ATOM 1003 C GLU B 11 -4.174 5.760 3.755 1.00 21.51 C ATOM 1004 O GLU B 11 -4.231 6.045 2.554 1.00 21.50 O ATOM 1005 CB GLU B 11 -4.175 7.738 5.327 1.00 27.27 C ATOM 1006 CG GLU B 11 -5.045 8.817 5.977 1.00 34.49 C ATOM 1007 CD GLU B 11 -4.256 10.012 6.502 1.00 38.14 C ATOM 1008 OE1 GLU B 11 -4.862 10.856 7.195 1.00 41.53 O ATOM 1009 OE2 GLU B 11 -3.038 10.121 6.226 1.00 43.12 O ATOM 1010 HA GLU B 11 -5.852 6.978 4.254 1.00 0.00 H ATOM 1011 HB2 GLU B 11 -3.480 7.356 6.074 1.00 0.00 H ATOM 1012 HB3 GLU B 11 -3.615 8.190 4.509 1.00 0.00 H ATOM 1013 HG2 GLU B 11 -5.759 9.175 5.236 1.00 0.00 H ATOM 1014 HG3 GLU B 11 -5.584 8.368 6.811 1.00 0.00 H ATOM 1015 H GLU B 11 -5.002 5.762 6.782 1.00 0.00 H ATOM 1016 N ILE B 12 -3.483 4.721 4.237 1.00 20.12 N ATOM 1017 CA ILE B 12 -2.688 3.821 3.388 1.00 21.11 C ATOM 1018 C ILE B 12 -3.654 2.943 2.587 1.00 21.45 C ATOM 1019 O ILE B 12 -3.438 2.721 1.393 1.00 22.09 O ATOM 1020 CB ILE B 12 -1.694 2.932 4.225 1.00 21.39 C ATOM 1021 CG1 ILE B 12 -0.611 3.818 4.856 1.00 22.28 C ATOM 1022 CG2 ILE B 12 -1.009 1.856 3.340 1.00 21.22 C ATOM 1023 CD1 ILE B 12 0.276 3.114 5.881 1.00 22.85 C ATOM 1024 HA ILE B 12 -2.072 4.421 2.719 1.00 0.00 H ATOM 1025 HB ILE B 12 -2.272 2.429 5.000 1.00 0.00 H ATOM 1026 HG12 ILE B 12 0.027 4.195 4.057 1.00 0.00 H ATOM 1027 HG13 ILE B 12 -1.103 4.655 5.351 1.00 0.00 H ATOM 1028 HD11 ILE B 12 -0.341 2.741 6.698 1.00 0.00 H ATOM 1029 HD12 ILE B 12 0.790 2.280 5.403 1.00 0.00 H ATOM 1030 HD13 ILE B 12 1.009 3.820 6.271 1.00 0.00 H ATOM 1031 HG21 ILE B 12 -1.769 1.208 2.905 1.00 0.00 H ATOM 1032 HG22 ILE B 12 -0.448 2.346 2.544 1.00 0.00 H ATOM 1033 HG23 ILE B 12 -0.330 1.262 3.952 1.00 0.00 H ATOM 1034 H ILE B 12 -3.509 4.541 5.261 1.00 0.00 H ATOM 1035 N GLU B 13 -4.729 2.493 3.243 1.00 21.78 N ATOM 1036 CA GLU B 13 -5.771 1.659 2.620 1.00 23.50 C ATOM 1037 C GLU B 13 -6.542 2.426 1.555 1.00 21.72 C ATOM 1038 O GLU B 13 -6.890 1.865 0.519 1.00 22.18 O ATOM 1039 CB GLU B 13 -6.751 1.133 3.663 1.00 26.35 C ATOM 1040 CG GLU B 13 -6.441 -0.257 4.164 1.00 34.92 C ATOM 1041 CD GLU B 13 -7.666 -1.159 4.149 1.00 40.53 C ATOM 1042 OE1 GLU B 13 -8.537 -1.005 5.038 1.00 43.58 O ATOM 1043 OE2 GLU B 13 -7.761 -2.029 3.252 1.00 41.94 O ATOM 1044 HA GLU B 13 -5.260 0.820 2.149 1.00 0.00 H ATOM 1045 HB2 GLU B 13 -6.741 1.813 4.515 1.00 0.00 H ATOM 1046 HB3 GLU B 13 -7.747 1.122 3.221 1.00 0.00 H ATOM 1047 HG2 GLU B 13 -5.673 -0.697 3.528 1.00 0.00 H ATOM 1048 HG3 GLU B 13 -6.068 -0.187 5.186 1.00 0.00 H ATOM 1049 H GLU B 13 -4.835 2.745 4.246 1.00 0.00 H ATOM 1050 N SER B 14 -6.767 3.717 1.821 1.00 21.39 N ATOM 1051 CA SER B 14 -7.462 4.646 0.918 1.00 21.99 C ATOM 1052 C SER B 14 -6.648 4.793 -0.354 1.00 21.82 C ATOM 1053 O SER B 14 -7.177 4.699 -1.465 1.00 20.39 O ATOM 1054 CB SER B 14 -7.620 6.018 1.589 1.00 22.06 C ATOM 1055 OG SER B 14 -8.016 7.017 0.661 1.00 23.85 O ATOM 1056 HA SER B 14 -8.452 4.254 0.685 1.00 0.00 H ATOM 1057 HB2 SER B 14 -6.667 6.306 2.032 1.00 0.00 H ATOM 1058 HB3 SER B 14 -8.375 5.943 2.371 1.00 0.00 H ATOM 1059 HG SER B 14 -8.107 7.884 1.130 1.00 0.00 H ATOM 1060 H SER B 14 -6.427 4.090 2.730 1.00 0.00 H ATOM 1061 N LYS B 15 -5.341 4.952 -0.159 1.00 20.48 N ATOM 1062 CA LYS B 15 -4.406 5.097 -1.250 1.00 21.29 C ATOM 1063 C LYS B 15 -4.266 3.845 -2.096 1.00 20.99 C ATOM 1064 O LYS B 15 -4.097 3.936 -3.313 1.00 20.22 O ATOM 1065 CB LYS B 15 -3.033 5.518 -0.736 1.00 23.76 C ATOM 1066 CG LYS B 15 -2.721 7.012 -0.846 1.00 31.05 C ATOM 1067 CD LYS B 15 -2.954 7.595 -2.267 1.00 36.29 C ATOM 1068 CE LYS B 15 -2.061 6.962 -3.347 1.00 37.81 C ATOM 1069 NZ LYS B 15 -2.405 7.351 -4.731 1.00 39.88 N ATOM 1070 HA LYS B 15 -4.819 5.875 -1.891 1.00 0.00 H ATOM 1071 HB2 LYS B 15 -2.966 5.237 0.315 1.00 0.00 H ATOM 1072 HB3 LYS B 15 -2.279 4.974 -1.305 1.00 0.00 H ATOM 1073 HG2 LYS B 15 -3.359 7.550 -0.144 1.00 0.00 H ATOM 1074 HG3 LYS B 15 -1.676 7.166 -0.577 1.00 0.00 H ATOM 1075 HD2 LYS B 15 -3.996 7.430 -2.541 1.00 0.00 H ATOM 1076 HD3 LYS B 15 -2.753 8.666 -2.238 1.00 0.00 H ATOM 1077 HE2 LYS B 15 -2.145 5.878 -3.267 1.00 0.00 H ATOM 1078 HE3 LYS B 15 -1.030 7.260 -3.155 1.00 0.00 H ATOM 1079 HZ1 LYS B 15 -3.382 7.062 -4.938 1.00 0.00 H ATOM 1080 HZ2 LYS B 15 -2.318 8.382 -4.832 1.00 0.00 H ATOM 1081 HZ3 LYS B 15 -1.756 6.881 -5.394 1.00 0.00 H ATOM 1082 H LYS B 15 -4.979 4.973 0.816 1.00 0.00 H ATOM 1083 N GLN B 16 -4.401 2.688 -1.444 1.00 19.66 N ATOM 1084 CA GLN B 16 -4.312 1.385 -2.088 1.00 19.07 C ATOM 1085 C GLN B 16 -5.517 1.164 -3.010 1.00 18.49 C ATOM 1086 O GLN B 16 -5.383 0.583 -4.088 1.00 18.14 O ATOM 1087 CB GLN B 16 -4.248 0.305 -1.016 1.00 19.25 C ATOM 1088 CG GLN B 16 -3.604 -0.974 -1.451 1.00 21.66 C ATOM 1089 CD GLN B 16 -3.209 -1.820 -0.273 1.00 22.23 C ATOM 1090 OE1 GLN B 16 -2.026 -1.976 0.022 1.00 25.20 O ATOM 1091 NE2 GLN B 16 -4.197 -2.371 0.418 1.00 23.01 N ATOM 1092 HA GLN B 16 -3.410 1.338 -2.698 1.00 0.00 H ATOM 1093 HB2 GLN B 16 -3.684 0.699 -0.171 1.00 0.00 H ATOM 1094 HB3 GLN B 16 -5.266 0.081 -0.698 1.00 0.00 H ATOM 1095 HG2 GLN B 16 -4.307 -1.533 -2.069 1.00 0.00 H ATOM 1096 HG3 GLN B 16 -2.714 -0.742 -2.035 1.00 0.00 H ATOM 1097 HE22 GLN B 16 -5.184 -2.212 0.132 1.00 0.00 H ATOM 1098 HE21 GLN B 16 -3.985 -2.963 1.247 1.00 0.00 H ATOM 1099 H GLN B 16 -4.580 2.719 -0.420 1.00 0.00 H ATOM 1100 N LYS B 17 -6.673 1.689 -2.599 1.00 18.43 N ATOM 1101 CA LYS B 17 -7.902 1.580 -3.386 1.00 20.43 C ATOM 1102 C LYS B 17 -7.844 2.487 -4.607 1.00 21.78 C ATOM 1103 O LYS B 17 -8.365 2.133 -5.666 1.00 22.65 O ATOM 1104 CB LYS B 17 -9.142 1.897 -2.542 1.00 21.17 C ATOM 1105 CG LYS B 17 -9.524 0.836 -1.515 1.00 23.93 C ATOM 1106 CD LYS B 17 -9.850 -0.522 -2.150 1.00 25.35 C ATOM 1107 CE LYS B 17 -10.300 -1.536 -1.100 1.00 26.82 C ATOM 1108 NZ LYS B 17 -9.289 -1.718 -0.015 1.00 28.16 N ATOM 1109 HA LYS B 17 -7.983 0.547 -3.723 1.00 0.00 H ATOM 1110 HB2 LYS B 17 -8.957 2.830 -2.009 1.00 0.00 H ATOM 1111 HB3 LYS B 17 -9.986 2.028 -3.220 1.00 0.00 H ATOM 1112 HG2 LYS B 17 -8.692 0.706 -0.823 1.00 0.00 H ATOM 1113 HG3 LYS B 17 -10.400 1.183 -0.966 1.00 0.00 H ATOM 1114 HD2 LYS B 17 -10.648 -0.390 -2.880 1.00 0.00 H ATOM 1115 HD3 LYS B 17 -8.960 -0.902 -2.651 1.00 0.00 H ATOM 1116 HE2 LYS B 17 -10.466 -2.496 -1.589 1.00 0.00 H ATOM 1117 HE3 LYS B 17 -11.233 -1.189 -0.655 1.00 0.00 H ATOM 1118 HZ1 LYS B 17 -8.396 -2.056 -0.428 1.00 0.00 H ATOM 1119 HZ2 LYS B 17 -9.128 -0.809 0.464 1.00 0.00 H ATOM 1120 HZ3 LYS B 17 -9.641 -2.415 0.672 1.00 0.00 H ATOM 1121 H LYS B 17 -6.701 2.192 -1.689 1.00 0.00 H ATOM 1122 N LYS B 18 -7.174 3.635 -4.464 1.00 23.80 N ATOM 1123 CA LYS B 18 -7.000 4.591 -5.564 1.00 25.60 C ATOM 1124 C LYS B 18 -6.064 3.967 -6.607 1.00 24.51 C ATOM 1125 O LYS B 18 -6.343 4.038 -7.808 1.00 24.84 O ATOM 1126 CB LYS B 18 -6.436 5.923 -5.051 1.00 26.96 C ATOM 1127 CG LYS B 18 -6.256 7.007 -6.125 1.00 32.19 C ATOM 1128 CD LYS B 18 -5.838 8.334 -5.501 1.00 36.65 C ATOM 1129 CE LYS B 18 -4.736 9.041 -6.294 1.00 39.90 C ATOM 1130 NZ LYS B 18 -5.123 9.464 -7.669 1.00 40.52 N ATOM 1131 HA LYS B 18 -7.967 4.805 -6.019 1.00 0.00 H ATOM 1132 HB2 LYS B 18 -7.116 6.309 -4.291 1.00 0.00 H ATOM 1133 HB3 LYS B 18 -5.463 5.728 -4.600 1.00 0.00 H ATOM 1134 HG2 LYS B 18 -5.488 6.687 -6.829 1.00 0.00 H ATOM 1135 HG3 LYS B 18 -7.199 7.144 -6.655 1.00 0.00 H ATOM 1136 HD2 LYS B 18 -6.709 8.988 -5.456 1.00 0.00 H ATOM 1137 HD3 LYS B 18 -5.474 8.145 -4.491 1.00 0.00 H ATOM 1138 HE2 LYS B 18 -3.888 8.361 -6.375 1.00 0.00 H ATOM 1139 HE3 LYS B 18 -4.436 9.929 -5.738 1.00 0.00 H ATOM 1140 HZ1 LYS B 18 -5.400 8.628 -8.222 1.00 0.00 H ATOM 1141 HZ2 LYS B 18 -5.923 10.126 -7.614 1.00 0.00 H ATOM 1142 HZ3 LYS B 18 -4.315 9.932 -8.127 1.00 0.00 H ATOM 1143 H LYS B 18 -6.760 3.859 -3.537 1.00 0.00 H ATOM 1144 N ILE B 19 -5.024 3.282 -6.118 1.00 22.49 N ATOM 1145 CA ILE B 19 -4.023 2.588 -6.943 1.00 21.16 C ATOM 1146 C ILE B 19 -4.678 1.434 -7.711 1.00 21.41 C ATOM 1147 O ILE B 19 -4.463 1.300 -8.918 1.00 21.06 O ATOM 1148 CB ILE B 19 -2.815 2.098 -6.066 1.00 19.58 C ATOM 1149 CG1 ILE B 19 -1.962 3.306 -5.665 1.00 20.11 C ATOM 1150 CG2 ILE B 19 -1.953 1.049 -6.789 1.00 17.82 C ATOM 1151 CD1 ILE B 19 -0.885 3.013 -4.652 1.00 19.60 C ATOM 1152 HA ILE B 19 -3.622 3.290 -7.674 1.00 0.00 H ATOM 1153 HB ILE B 19 -3.219 1.613 -5.177 1.00 0.00 H ATOM 1154 HG12 ILE B 19 -1.485 3.697 -6.563 1.00 0.00 H ATOM 1155 HG13 ILE B 19 -2.624 4.064 -5.247 1.00 0.00 H ATOM 1156 HD11 ILE B 19 -1.341 2.633 -3.738 1.00 0.00 H ATOM 1157 HD12 ILE B 19 -0.202 2.266 -5.056 1.00 0.00 H ATOM 1158 HD13 ILE B 19 -0.336 3.929 -4.432 1.00 0.00 H ATOM 1159 HG21 ILE B 19 -2.567 0.182 -7.033 1.00 0.00 H ATOM 1160 HG22 ILE B 19 -1.551 1.480 -7.706 1.00 0.00 H ATOM 1161 HG23 ILE B 19 -1.133 0.744 -6.139 1.00 0.00 H ATOM 1162 H ILE B 19 -4.916 3.237 -5.085 1.00 0.00 H ATOM 1163 N GLU B 20 -5.521 0.663 -7.019 1.00 20.68 N ATOM 1164 CA GLU B 20 -6.242 -0.474 -7.603 1.00 22.20 C ATOM 1165 C GLU B 20 -7.171 -0.034 -8.730 1.00 20.66 C ATOM 1166 O GLU B 20 -7.250 -0.698 -9.762 1.00 20.84 O ATOM 1167 CB GLU B 20 -7.073 -1.179 -6.542 1.00 24.90 C ATOM 1168 CG GLU B 20 -6.308 -2.100 -5.626 1.00 29.81 C ATOM 1169 CD GLU B 20 -7.180 -2.596 -4.486 1.00 34.41 C ATOM 1170 OE1 GLU B 20 -6.676 -2.678 -3.349 1.00 36.80 O ATOM 1171 OE2 GLU B 20 -8.375 -2.893 -4.714 1.00 38.05 O ATOM 1172 HA GLU B 20 -5.491 -1.153 -8.007 1.00 0.00 H ATOM 1173 HB2 GLU B 20 -7.552 -0.416 -5.928 1.00 0.00 H ATOM 1174 HB3 GLU B 20 -7.837 -1.768 -7.050 1.00 0.00 H ATOM 1175 HG2 GLU B 20 -5.952 -2.956 -6.199 1.00 0.00 H ATOM 1176 HG3 GLU B 20 -5.455 -1.562 -5.212 1.00 0.00 H ATOM 1177 H GLU B 20 -5.675 0.880 -6.014 1.00 0.00 H ATOM 1178 N ASN B 21 -7.841 1.102 -8.520 1.00 20.51 N ATOM 1179 CA ASN B 21 -8.761 1.688 -9.501 1.00 21.81 C ATOM 1180 C ASN B 21 -8.001 2.192 -10.734 1.00 21.77 C ATOM 1181 O ASN B 21 -8.480 2.045 -11.861 1.00 21.49 O ATOM 1182 CB ASN B 21 -9.574 2.838 -8.882 1.00 22.83 C ATOM 1183 CG ASN B 21 -10.643 2.357 -7.895 1.00 23.93 C ATOM 1184 OD1 ASN B 21 -10.961 1.168 -7.824 1.00 27.62 O ATOM 1185 ND2 ASN B 21 -11.203 3.294 -7.131 1.00 24.32 N ATOM 1186 HA ASN B 21 -9.451 0.903 -9.811 1.00 0.00 H ATOM 1187 HB2 ASN B 21 -8.889 3.503 -8.355 1.00 0.00 H ATOM 1188 HB3 ASN B 21 -10.065 3.387 -9.685 1.00 0.00 H ATOM 1189 HD22 ASN B 21 -10.905 4.286 -7.223 1.00 0.00 H ATOM 1190 HD21 ASN B 21 -11.938 3.033 -6.443 1.00 0.00 H ATOM 1191 H ASN B 21 -7.704 1.596 -7.615 1.00 0.00 H ATOM 1192 N GLU B 22 -6.802 2.739 -10.508 1.00 22.45 N ATOM 1193 CA GLU B 22 -5.937 3.253 -11.578 1.00 22.58 C ATOM 1194 C GLU B 22 -5.428 2.109 -12.451 1.00 22.02 C ATOM 1195 O GLU B 22 -5.410 2.236 -13.674 1.00 21.39 O ATOM 1196 CB GLU B 22 -4.739 4.027 -11.007 1.00 25.81 C ATOM 1197 CG GLU B 22 -5.074 5.369 -10.351 1.00 31.29 C ATOM 1198 CD GLU B 22 -3.868 6.048 -9.691 1.00 34.71 C ATOM 1199 OE1 GLU B 22 -3.830 7.299 -9.667 1.00 37.46 O ATOM 1200 OE2 GLU B 22 -2.968 5.346 -9.178 1.00 36.89 O ATOM 1201 HA GLU B 22 -6.537 3.934 -12.182 1.00 0.00 H ATOM 1202 HB2 GLU B 22 -4.258 3.398 -10.258 1.00 0.00 H ATOM 1203 HB3 GLU B 22 -4.041 4.216 -11.823 1.00 0.00 H ATOM 1204 HG2 GLU B 22 -5.470 6.037 -11.116 1.00 0.00 H ATOM 1205 HG3 GLU B 22 -5.834 5.200 -9.589 1.00 0.00 H ATOM 1206 H GLU B 22 -6.465 2.804 -9.526 1.00 0.00 H ATOM 1207 N ILE B 23 -5.082 0.982 -11.814 1.00 20.63 N ATOM 1208 CA ILE B 23 -4.578 -0.227 -12.493 1.00 21.01 C ATOM 1209 C ILE B 23 -5.674 -0.865 -13.357 1.00 21.35 C ATOM 1210 O ILE B 23 -5.417 -1.274 -14.486 1.00 20.53 O ATOM 1211 CB ILE B 23 -3.969 -1.262 -11.460 1.00 21.21 C ATOM 1212 CG1 ILE B 23 -2.644 -0.721 -10.899 1.00 20.93 C ATOM 1213 CG2 ILE B 23 -3.734 -2.668 -12.103 1.00 20.21 C ATOM 1214 CD1 ILE B 23 -2.031 -1.557 -9.787 1.00 20.48 C ATOM 1215 HA ILE B 23 -3.767 0.075 -13.156 1.00 0.00 H ATOM 1216 HB ILE B 23 -4.693 -1.385 -10.655 1.00 0.00 H ATOM 1217 HG12 ILE B 23 -1.926 -0.667 -11.718 1.00 0.00 H ATOM 1218 HG13 ILE B 23 -2.825 0.281 -10.509 1.00 0.00 H ATOM 1219 HD11 ILE B 23 -2.727 -1.612 -8.950 1.00 0.00 H ATOM 1220 HD12 ILE B 23 -1.828 -2.561 -10.159 1.00 0.00 H ATOM 1221 HD13 ILE B 23 -1.100 -1.095 -9.458 1.00 0.00 H ATOM 1222 HG21 ILE B 23 -4.683 -3.065 -12.462 1.00 0.00 H ATOM 1223 HG22 ILE B 23 -3.040 -2.573 -12.938 1.00 0.00 H ATOM 1224 HG23 ILE B 23 -3.316 -3.342 -11.356 1.00 0.00 H ATOM 1225 H ILE B 23 -5.174 0.958 -10.778 1.00 0.00 H ATOM 1226 N ALA B 24 -6.899 -0.896 -12.836 1.00 22.05 N ATOM 1227 CA ALA B 24 -8.052 -1.442 -13.560 1.00 23.67 C ATOM 1228 C ALA B 24 -8.291 -0.674 -14.854 1.00 24.74 C ATOM 1229 O ALA B 24 -8.530 -1.273 -15.888 1.00 26.17 O ATOM 1230 CB ALA B 24 -9.289 -1.398 -12.688 1.00 24.77 C ATOM 1231 HA ALA B 24 -7.837 -2.480 -13.813 1.00 0.00 H ATOM 1232 HB1 ALA B 24 -9.119 -1.991 -11.789 1.00 0.00 H ATOM 1233 HB2 ALA B 24 -9.499 -0.365 -12.410 1.00 0.00 H ATOM 1234 HB3 ALA B 24 -10.136 -1.807 -13.240 1.00 0.00 H ATOM 1235 H ALA B 24 -7.044 -0.518 -11.878 1.00 0.00 H ATOM 1236 N ARG B 25 -8.179 0.656 -14.775 1.00 24.45 N ATOM 1237 CA ARG B 25 -8.347 1.565 -15.919 1.00 24.68 C ATOM 1238 C ARG B 25 -7.230 1.385 -16.936 1.00 24.54 C ATOM 1239 O ARG B 25 -7.485 1.317 -18.133 1.00 23.41 O ATOM 1240 CB ARG B 25 -8.436 3.015 -15.398 1.00 26.57 C ATOM 1241 CG ARG B 25 -8.473 4.208 -16.365 1.00 33.37 C ATOM 1242 CD ARG B 25 -8.992 5.372 -15.521 1.00 38.97 C ATOM 1243 NE ARG B 25 -9.040 6.744 -16.045 1.00 43.32 N ATOM 1244 CZ ARG B 25 -7.980 7.545 -16.165 1.00 45.84 C ATOM 1245 NH1 ARG B 25 -6.762 7.112 -15.838 1.00 46.10 N ATOM 1246 NH2 ARG B 25 -8.162 8.861 -16.269 1.00 45.63 N ATOM 1247 HA ARG B 25 -9.273 1.327 -16.442 1.00 0.00 H ATOM 1248 HB2 ARG B 25 -9.346 3.073 -14.800 1.00 0.00 H ATOM 1249 HB3 ARG B 25 -7.569 3.166 -14.754 1.00 0.00 H ATOM 1250 HG2 ARG B 25 -7.476 4.424 -16.748 1.00 0.00 H ATOM 1251 HG3 ARG B 25 -9.145 4.007 -17.199 1.00 0.00 H ATOM 1252 HD2 ARG B 25 -8.368 5.406 -14.628 1.00 0.00 H ATOM 1253 HD3 ARG B 25 -10.013 5.115 -15.239 1.00 0.00 H ATOM 1254 HE ARG B 25 -9.964 7.116 -16.343 1.00 0.00 H ATOM 1255 HH12 ARG B 25 -5.942 7.744 -15.935 1.00 0.00 H ATOM 1256 HH11 ARG B 25 -6.632 6.142 -15.486 1.00 0.00 H ATOM 1257 HH22 ARG B 25 -7.342 9.494 -16.363 1.00 0.00 H ATOM 1258 HH21 ARG B 25 -9.124 9.256 -16.256 1.00 0.00 H ATOM 1259 H ARG B 25 -7.960 1.073 -13.848 1.00 0.00 H ATOM 1260 N ILE B 26 -6.000 1.234 -16.445 1.00 23.38 N ATOM 1261 CA ILE B 26 -4.803 1.028 -17.292 1.00 21.97 C ATOM 1262 C ILE B 26 -4.920 -0.297 -18.049 1.00 22.37 C ATOM 1263 O ILE B 26 -4.676 -0.344 -19.257 1.00 22.85 O ATOM 1264 CB ILE B 26 -3.449 1.052 -16.456 1.00 21.36 C ATOM 1265 CG1 ILE B 26 -3.141 2.475 -15.993 1.00 21.38 C ATOM 1266 CG2 ILE B 26 -2.258 0.486 -17.261 1.00 19.29 C ATOM 1267 CD1 ILE B 26 -2.035 2.545 -14.956 1.00 21.17 C ATOM 1268 HA ILE B 26 -4.763 1.859 -17.996 1.00 0.00 H ATOM 1269 HB ILE B 26 -3.591 0.409 -15.587 1.00 0.00 H ATOM 1270 HG12 ILE B 26 -2.840 3.063 -16.860 1.00 0.00 H ATOM 1271 HG13 ILE B 26 -4.047 2.902 -15.562 1.00 0.00 H ATOM 1272 HD11 ILE B 26 -2.326 1.970 -14.077 1.00 0.00 H ATOM 1273 HD12 ILE B 26 -1.118 2.131 -15.376 1.00 0.00 H ATOM 1274 HD13 ILE B 26 -1.869 3.584 -14.673 1.00 0.00 H ATOM 1275 HG21 ILE B 26 -2.467 -0.547 -17.539 1.00 0.00 H ATOM 1276 HG22 ILE B 26 -2.112 1.084 -18.161 1.00 0.00 H ATOM 1277 HG23 ILE B 26 -1.357 0.523 -16.649 1.00 0.00 H ATOM 1278 H ILE B 26 -5.874 1.262 -15.413 1.00 0.00 H ATOM 1279 N LYS B 27 -5.362 -1.339 -17.337 1.00 22.19 N ATOM 1280 CA LYS B 27 -5.550 -2.687 -17.895 1.00 23.76 C ATOM 1281 C LYS B 27 -6.524 -2.739 -19.061 1.00 23.87 C ATOM 1282 O LYS B 27 -6.271 -3.426 -20.053 1.00 25.19 O ATOM 1283 CB LYS B 27 -6.013 -3.676 -16.821 1.00 24.87 C ATOM 1284 CG LYS B 27 -4.898 -4.254 -15.971 1.00 29.06 C ATOM 1285 CD LYS B 27 -5.453 -5.252 -14.954 1.00 33.36 C ATOM 1286 CE LYS B 27 -4.868 -6.654 -15.141 1.00 35.87 C ATOM 1287 NZ LYS B 27 -3.405 -6.753 -14.816 1.00 40.68 N ATOM 1288 HA LYS B 27 -4.568 -2.972 -18.273 1.00 0.00 H ATOM 1289 HB2 LYS B 27 -6.711 -3.160 -16.162 1.00 0.00 H ATOM 1290 HB3 LYS B 27 -6.525 -4.501 -17.316 1.00 0.00 H ATOM 1291 HG2 LYS B 27 -4.182 -4.762 -16.617 1.00 0.00 H ATOM 1292 HG3 LYS B 27 -4.396 -3.445 -15.441 1.00 0.00 H ATOM 1293 HD2 LYS B 27 -5.212 -4.902 -13.950 1.00 0.00 H ATOM 1294 HD3 LYS B 27 -6.536 -5.305 -15.069 1.00 0.00 H ATOM 1295 HE2 LYS B 27 -5.009 -6.949 -16.181 1.00 0.00 H ATOM 1296 HE3 LYS B 27 -5.411 -7.342 -14.493 1.00 0.00 H ATOM 1297 HZ1 LYS B 27 -2.869 -6.111 -15.435 1.00 0.00 H ATOM 1298 HZ2 LYS B 27 -3.253 -6.486 -13.822 1.00 0.00 H ATOM 1299 HZ3 LYS B 27 -3.083 -7.730 -14.967 1.00 0.00 H ATOM 1300 H LYS B 27 -5.585 -1.188 -16.333 1.00 0.00 H ATOM 1301 N LYS B 28 -7.605 -1.969 -18.958 1.00 24.20 N ATOM 1302 CA LYS B 28 -8.612 -1.921 -20.012 1.00 25.75 C ATOM 1303 C LYS B 28 -8.116 -1.151 -21.235 1.00 24.71 C ATOM 1304 O LYS B 28 -8.323 -1.607 -22.363 1.00 24.26 O ATOM 1305 CB LYS B 28 -9.930 -1.350 -19.493 1.00 27.19 C ATOM 1306 CG LYS B 28 -10.513 -2.146 -18.323 1.00 33.24 C ATOM 1307 CD LYS B 28 -12.042 -2.200 -18.259 1.00 36.85 C ATOM 1308 CE LYS B 28 -12.694 -0.852 -18.001 1.00 38.97 C ATOM 1309 NZ LYS B 28 -12.728 -0.029 -19.234 1.00 41.89 N ATOM 1310 HA LYS B 28 -8.797 -2.947 -20.330 1.00 0.00 H ATOM 1311 HB2 LYS B 28 -9.758 -0.325 -19.164 1.00 0.00 H ATOM 1312 HB3 LYS B 28 -10.654 -1.352 -20.308 1.00 0.00 H ATOM 1313 HG2 LYS B 28 -10.143 -3.169 -18.395 1.00 0.00 H ATOM 1314 HG3 LYS B 28 -10.154 -1.695 -17.398 1.00 0.00 H ATOM 1315 HD2 LYS B 28 -12.412 -2.585 -19.209 1.00 0.00 H ATOM 1316 HD3 LYS B 28 -12.329 -2.880 -17.457 1.00 0.00 H ATOM 1317 HE2 LYS B 28 -12.127 -0.323 -17.235 1.00 0.00 H ATOM 1318 HE3 LYS B 28 -13.714 -1.011 -17.651 1.00 0.00 H ATOM 1319 HZ1 LYS B 28 -11.757 0.130 -19.570 1.00 0.00 H ATOM 1320 HZ2 LYS B 28 -13.272 -0.527 -19.967 1.00 0.00 H ATOM 1321 HZ3 LYS B 28 -13.179 0.885 -19.027 1.00 0.00 H ATOM 1322 H LYS B 28 -7.735 -1.388 -18.105 1.00 0.00 H ATOM 1323 N LEU B 29 -7.405 -0.038 -21.009 1.00 22.74 N ATOM 1324 CA LEU B 29 -6.856 0.768 -22.108 1.00 23.50 C ATOM 1325 C LEU B 29 -5.743 -0.015 -22.808 1.00 24.24 C ATOM 1326 O LEU B 29 -5.655 -0.012 -24.041 1.00 23.62 O ATOM 1327 CB LEU B 29 -6.350 2.141 -21.618 1.00 23.54 C ATOM 1328 CG LEU B 29 -5.772 3.152 -22.635 1.00 22.13 C ATOM 1329 CD1 LEU B 29 -6.674 3.338 -23.866 1.00 21.39 C ATOM 1330 CD2 LEU B 29 -5.521 4.486 -21.948 1.00 20.68 C ATOM 1331 HA LEU B 29 -7.656 0.968 -22.821 1.00 0.00 H ATOM 1332 HB2 LEU B 29 -7.191 2.631 -21.127 1.00 0.00 H ATOM 1333 HB3 LEU B 29 -5.567 1.946 -20.885 1.00 0.00 H ATOM 1334 HG LEU B 29 -4.829 2.745 -23.001 1.00 0.00 H ATOM 1335 HD21 LEU B 29 -6.460 4.871 -21.550 1.00 0.00 H ATOM 1336 HD22 LEU B 29 -4.810 4.346 -21.134 1.00 0.00 H ATOM 1337 HD23 LEU B 29 -5.114 5.194 -22.670 1.00 0.00 H ATOM 1338 HD11 LEU B 29 -6.793 2.382 -24.376 1.00 0.00 H ATOM 1339 HD12 LEU B 29 -7.650 3.705 -23.548 1.00 0.00 H ATOM 1340 HD13 LEU B 29 -6.217 4.059 -24.544 1.00 0.00 H ATOM 1341 H LEU B 29 -7.237 0.264 -20.028 1.00 0.00 H ATOM 1342 N LEU B 30 -4.968 -0.762 -22.017 1.00 24.55 N ATOM 1343 CA LEU B 30 -3.885 -1.585 -22.543 1.00 23.31 C ATOM 1344 C LEU B 30 -4.446 -2.705 -23.418 1.00 23.93 C ATOM 1345 O LEU B 30 -3.858 -3.026 -24.451 1.00 24.20 O ATOM 1346 CB LEU B 30 -3.016 -2.141 -21.408 1.00 22.85 C ATOM 1347 CG LEU B 30 -1.779 -2.995 -21.722 1.00 22.47 C ATOM 1348 CD1 LEU B 30 -0.828 -2.324 -22.709 1.00 21.38 C ATOM 1349 CD2 LEU B 30 -1.062 -3.331 -20.437 1.00 21.40 C ATOM 1350 HA LEU B 30 -3.245 -0.959 -23.165 1.00 0.00 H ATOM 1351 HB2 LEU B 30 -2.666 -1.284 -20.833 1.00 0.00 H ATOM 1352 HB3 LEU B 30 -3.669 -2.753 -20.785 1.00 0.00 H ATOM 1353 HG LEU B 30 -2.125 -3.909 -22.205 1.00 0.00 H ATOM 1354 HD21 LEU B 30 -0.753 -2.410 -19.943 1.00 0.00 H ATOM 1355 HD22 LEU B 30 -1.733 -3.888 -19.783 1.00 0.00 H ATOM 1356 HD23 LEU B 30 -0.184 -3.937 -20.660 1.00 0.00 H ATOM 1357 HD11 LEU B 30 -1.351 -2.139 -23.647 1.00 0.00 H ATOM 1358 HD12 LEU B 30 -0.482 -1.378 -22.292 1.00 0.00 H ATOM 1359 HD13 LEU B 30 0.026 -2.977 -22.890 1.00 0.00 H ATOM 1360 H LEU B 30 -5.143 -0.757 -20.992 1.00 0.00 H ATOM 1361 N GLN B 31 -5.606 -3.247 -23.036 1.00 24.52 N ATOM 1362 CA GLN B 31 -6.259 -4.309 -23.810 1.00 24.78 C ATOM 1363 C GLN B 31 -6.878 -3.773 -25.098 1.00 23.54 C ATOM 1364 O GLN B 31 -7.030 -4.512 -26.069 1.00 23.50 O ATOM 1365 CB GLN B 31 -7.313 -5.051 -22.982 1.00 27.18 C ATOM 1366 CG GLN B 31 -6.749 -5.999 -21.903 1.00 31.56 C ATOM 1367 CD GLN B 31 -5.792 -7.075 -22.433 1.00 34.46 C ATOM 1368 OE1 GLN B 31 -4.717 -7.288 -21.866 1.00 37.32 O ATOM 1369 NE2 GLN B 31 -6.182 -7.757 -23.508 1.00 33.34 N ATOM 1370 HA GLN B 31 -5.478 -5.020 -24.080 1.00 0.00 H ATOM 1371 HB2 GLN B 31 -7.938 -4.308 -22.486 1.00 0.00 H ATOM 1372 HB3 GLN B 31 -7.925 -5.641 -23.664 1.00 0.00 H ATOM 1373 HG2 GLN B 31 -6.212 -5.398 -21.169 1.00 0.00 H ATOM 1374 HG3 GLN B 31 -7.587 -6.499 -21.418 1.00 0.00 H ATOM 1375 HE22 GLN B 31 -7.097 -7.545 -23.955 1.00 0.00 H ATOM 1376 HE21 GLN B 31 -5.572 -8.502 -23.901 1.00 0.00 H ATOM 1377 H GLN B 31 -6.059 -2.906 -22.164 1.00 0.00 H ATOM 1378 N LEU B 32 -7.208 -2.481 -25.102 1.00 23.04 N ATOM 1379 CA LEU B 32 -7.768 -1.825 -26.284 1.00 23.41 C ATOM 1380 C LEU B 32 -6.651 -1.600 -27.304 1.00 22.99 C ATOM 1381 O LEU B 32 -6.844 -1.836 -28.496 1.00 23.38 O ATOM 1382 CB LEU B 32 -8.435 -0.490 -25.925 1.00 22.24 C ATOM 1383 CG LEU B 32 -9.833 -0.489 -25.294 1.00 22.99 C ATOM 1384 CD1 LEU B 32 -10.205 0.915 -24.873 1.00 22.43 C ATOM 1385 CD2 LEU B 32 -10.866 -1.042 -26.254 1.00 24.84 C ATOM 1386 HA LEU B 32 -8.537 -2.470 -26.709 1.00 0.00 H ATOM 1387 HB2 LEU B 32 -7.771 0.018 -25.226 1.00 0.00 H ATOM 1388 HB3 LEU B 32 -8.502 0.089 -26.846 1.00 0.00 H ATOM 1389 HG LEU B 32 -9.814 -1.134 -24.415 1.00 0.00 H ATOM 1390 HD21 LEU B 32 -10.889 -0.428 -27.154 1.00 0.00 H ATOM 1391 HD22 LEU B 32 -10.603 -2.066 -26.518 1.00 0.00 H ATOM 1392 HD23 LEU B 32 -11.847 -1.028 -25.778 1.00 0.00 H ATOM 1393 HD11 LEU B 32 -9.480 1.279 -24.145 1.00 0.00 H ATOM 1394 HD12 LEU B 32 -10.203 1.567 -25.746 1.00 0.00 H ATOM 1395 HD13 LEU B 32 -11.199 0.908 -24.426 1.00 0.00 H ATOM 1396 H LEU B 32 -7.063 -1.922 -24.237 1.00 0.00 H ATOM 1397 N THR B 33 -5.468 -1.215 -26.820 1.00 20.47 N ATOM 1398 CA THR B 33 -4.318 -0.979 -27.697 1.00 20.52 C ATOM 1399 C THR B 33 -3.801 -2.271 -28.352 1.00 19.74 C ATOM 1400 O THR B 33 -3.414 -2.254 -29.519 1.00 19.75 O ATOM 1401 CB THR B 33 -3.169 -0.266 -26.963 1.00 19.80 C ATOM 1402 OG1 THR B 33 -2.746 -1.034 -25.830 1.00 21.10 O ATOM 1403 CG2 THR B 33 -3.579 1.135 -26.526 1.00 19.04 C ATOM 1404 HA THR B 33 -4.681 -0.324 -28.489 1.00 0.00 H ATOM 1405 HB THR B 33 -2.335 -0.173 -27.658 1.00 0.00 H ATOM 1406 HG1 THR B 33 -3.507 -1.146 -25.206 1.00 0.00 H ATOM 1407 HG23 THR B 33 -3.898 1.707 -27.397 1.00 0.00 H ATOM 1408 HG21 THR B 33 -4.401 1.066 -25.814 1.00 0.00 H ATOM 1409 HG22 THR B 33 -2.730 1.630 -26.055 1.00 0.00 H ATOM 1410 H THR B 33 -5.360 -1.079 -25.795 1.00 0.00 H ATOM 1411 N VAL B 34 -3.841 -3.381 -27.603 1.00 19.63 N ATOM 1412 CA VAL B 34 -3.426 -4.717 -28.071 1.00 18.69 C ATOM 1413 C VAL B 34 -4.355 -5.141 -29.219 1.00 18.69 C ATOM 1414 O VAL B 34 -3.897 -5.678 -30.228 1.00 19.53 O ATOM 1415 CB VAL B 34 -3.489 -5.775 -26.897 1.00 19.79 C ATOM 1416 CG1 VAL B 34 -3.298 -7.216 -27.405 1.00 19.63 C ATOM 1417 CG2 VAL B 34 -2.418 -5.470 -25.851 1.00 17.99 C ATOM 1418 HA VAL B 34 -2.394 -4.673 -28.419 1.00 0.00 H ATOM 1419 HB VAL B 34 -4.481 -5.698 -26.452 1.00 0.00 H ATOM 1420 HG11 VAL B 34 -4.085 -7.455 -28.121 1.00 0.00 H ATOM 1421 HG12 VAL B 34 -2.326 -7.303 -27.890 1.00 0.00 H ATOM 1422 HG13 VAL B 34 -3.349 -7.906 -26.563 1.00 0.00 H ATOM 1423 HG21 VAL B 34 -1.434 -5.513 -26.317 1.00 0.00 H ATOM 1424 HG22 VAL B 34 -2.585 -4.473 -25.442 1.00 0.00 H ATOM 1425 HG23 VAL B 34 -2.474 -6.207 -25.050 1.00 0.00 H ATOM 1426 H VAL B 34 -4.188 -3.295 -26.626 1.00 0.00 H ATOM 1427 N TRP B 35 -5.649 -4.852 -29.056 1.00 18.41 N ATOM 1428 CA TRP B 35 -6.683 -5.149 -30.050 1.00 18.23 C ATOM 1429 C TRP B 35 -6.427 -4.273 -31.289 1.00 17.39 C ATOM 1430 O TRP B 35 -6.543 -4.747 -32.414 1.00 16.77 O ATOM 1431 CB TRP B 35 -8.086 -4.869 -29.452 1.00 20.28 C ATOM 1432 CG TRP B 35 -9.278 -5.127 -30.377 1.00 20.86 C ATOM 1433 CD1 TRP B 35 -9.988 -6.290 -30.491 1.00 22.69 C ATOM 1434 CD2 TRP B 35 -9.847 -4.217 -31.345 1.00 20.88 C ATOM 1435 NE1 TRP B 35 -10.947 -6.173 -31.473 1.00 23.64 N ATOM 1436 CE2 TRP B 35 -10.884 -4.923 -32.013 1.00 22.53 C ATOM 1437 CE3 TRP B 35 -9.567 -2.885 -31.717 1.00 20.73 C ATOM 1438 CZ2 TRP B 35 -11.653 -4.326 -33.050 1.00 22.59 C ATOM 1439 CZ3 TRP B 35 -10.330 -2.293 -32.750 1.00 20.91 C ATOM 1440 CH2 TRP B 35 -11.364 -3.022 -33.404 1.00 22.21 C ATOM 1441 HA TRP B 35 -6.647 -6.200 -30.336 1.00 0.00 H ATOM 1442 HB2 TRP B 35 -8.205 -5.501 -28.572 1.00 0.00 H ATOM 1443 HB3 TRP B 35 -8.117 -3.821 -29.153 1.00 0.00 H ATOM 1444 HE1 TRP B 35 -11.613 -6.920 -31.757 1.00 0.00 H ATOM 1445 HD1 TRP B 35 -9.819 -7.183 -29.890 1.00 0.00 H ATOM 1446 HZ2 TRP B 35 -12.447 -4.881 -33.551 1.00 0.00 H ATOM 1447 HH2 TRP B 35 -11.937 -2.543 -34.198 1.00 0.00 H ATOM 1448 HZ3 TRP B 35 -10.124 -1.265 -33.050 1.00 0.00 H ATOM 1449 HE3 TRP B 35 -8.778 -2.323 -31.218 1.00 0.00 H ATOM 1450 H TRP B 35 -5.939 -4.389 -28.171 1.00 0.00 H ATOM 1451 N GLY B 36 -6.094 -2.999 -31.054 1.00 16.97 N ATOM 1452 CA GLY B 36 -5.818 -2.043 -32.120 1.00 17.63 C ATOM 1453 C GLY B 36 -4.630 -2.398 -33.005 1.00 16.68 C ATOM 1454 O GLY B 36 -4.723 -2.308 -34.228 1.00 14.81 O ATOM 1455 HA3 GLY B 36 -5.623 -1.073 -31.663 1.00 0.00 H ATOM 1456 HA2 GLY B 36 -6.703 -1.974 -32.752 1.00 0.00 H ATOM 1457 H GLY B 36 -6.029 -2.676 -30.068 1.00 0.00 H ATOM 1458 N ILE B 37 -3.531 -2.832 -32.386 1.00 16.66 N ATOM 1459 CA ILE B 37 -2.319 -3.245 -33.107 1.00 17.40 C ATOM 1460 C ILE B 37 -2.625 -4.504 -33.942 1.00 18.61 C ATOM 1461 O ILE B 37 -2.121 -4.650 -35.058 1.00 18.43 O ATOM 1462 CB ILE B 37 -1.147 -3.506 -32.111 1.00 17.91 C ATOM 1463 CG1 ILE B 37 -0.721 -2.183 -31.478 1.00 18.18 C ATOM 1464 CG2 ILE B 37 0.080 -4.131 -32.801 1.00 17.37 C ATOM 1465 CD1 ILE B 37 -0.013 -2.352 -30.185 1.00 17.05 C ATOM 1466 HA ILE B 37 -2.009 -2.443 -33.777 1.00 0.00 H ATOM 1467 HB ILE B 37 -1.510 -4.208 -31.360 1.00 0.00 H ATOM 1468 HG12 ILE B 37 -0.058 -1.665 -32.171 1.00 0.00 H ATOM 1469 HG13 ILE B 37 -1.611 -1.578 -31.309 1.00 0.00 H ATOM 1470 HD11 ILE B 37 -0.668 -2.859 -29.477 1.00 0.00 H ATOM 1471 HD12 ILE B 37 0.887 -2.947 -30.340 1.00 0.00 H ATOM 1472 HD13 ILE B 37 0.261 -1.373 -29.791 1.00 0.00 H ATOM 1473 HG21 ILE B 37 -0.202 -5.084 -33.248 1.00 0.00 H ATOM 1474 HG22 ILE B 37 0.441 -3.457 -33.578 1.00 0.00 H ATOM 1475 HG23 ILE B 37 0.867 -4.292 -32.064 1.00 0.00 H ATOM 1476 H ILE B 37 -3.532 -2.880 -31.347 1.00 0.00 H ATOM 1477 N LYS B 38 -3.523 -5.347 -33.424 1.00 18.79 N ATOM 1478 CA LYS B 38 -3.939 -6.593 -34.083 1.00 20.95 C ATOM 1479 C LYS B 38 -4.712 -6.359 -35.374 1.00 19.37 C ATOM 1480 O LYS B 38 -4.478 -7.054 -36.361 1.00 18.97 O ATOM 1481 CB LYS B 38 -4.772 -7.452 -33.122 1.00 21.45 C ATOM 1482 CG LYS B 38 -4.892 -8.926 -33.508 1.00 24.21 C ATOM 1483 CD LYS B 38 -5.870 -9.660 -32.589 1.00 28.36 C ATOM 1484 CE LYS B 38 -6.077 -11.111 -33.010 1.00 30.33 C ATOM 1485 NZ LYS B 38 -4.842 -11.921 -32.864 1.00 33.22 N ATOM 1486 HA LYS B 38 -3.024 -7.120 -34.353 1.00 0.00 H ATOM 1487 HB2 LYS B 38 -4.312 -7.397 -32.135 1.00 0.00 H ATOM 1488 HB3 LYS B 38 -5.777 -7.032 -33.077 1.00 0.00 H ATOM 1489 HG2 LYS B 38 -5.248 -8.997 -34.536 1.00 0.00 H ATOM 1490 HG3 LYS B 38 -3.911 -9.395 -33.431 1.00 0.00 H ATOM 1491 HD2 LYS B 38 -5.478 -9.642 -31.572 1.00 0.00 H ATOM 1492 HD3 LYS B 38 -6.831 -9.146 -32.616 1.00 0.00 H ATOM 1493 HE2 LYS B 38 -6.389 -11.132 -34.054 1.00 0.00 H ATOM 1494 HE3 LYS B 38 -6.859 -11.548 -32.389 1.00 0.00 H ATOM 1495 HZ1 LYS B 38 -4.091 -11.516 -33.459 1.00 0.00 H ATOM 1496 HZ2 LYS B 38 -4.540 -11.914 -31.869 1.00 0.00 H ATOM 1497 HZ3 LYS B 38 -5.033 -12.899 -33.162 1.00 0.00 H ATOM 1498 H LYS B 38 -3.950 -5.109 -32.506 1.00 0.00 H ATOM 1499 N GLN B 39 -5.599 -5.362 -35.366 1.00 19.00 N ATOM 1500 CA GLN B 39 -6.400 -5.027 -36.547 1.00 20.53 C ATOM 1501 C GLN B 39 -5.553 -4.355 -37.605 1.00 20.01 C ATOM 1502 O GLN B 39 -5.750 -4.604 -38.795 1.00 21.27 O ATOM 1503 CB GLN B 39 -7.577 -4.107 -36.210 1.00 21.05 C ATOM 1504 CG GLN B 39 -8.412 -4.509 -35.021 1.00 23.10 C ATOM 1505 CD GLN B 39 -8.899 -5.945 -35.039 1.00 26.07 C ATOM 1506 OE1 GLN B 39 -8.508 -6.750 -34.189 1.00 29.91 O ATOM 1507 NE2 GLN B 39 -9.771 -6.267 -35.985 1.00 27.98 N ATOM 1508 HA GLN B 39 -6.791 -5.972 -36.925 1.00 0.00 H ATOM 1509 HB2 GLN B 39 -7.177 -3.112 -36.016 1.00 0.00 H ATOM 1510 HB3 GLN B 39 -8.232 -4.071 -37.081 1.00 0.00 H ATOM 1511 HG2 GLN B 39 -7.813 -4.366 -34.122 1.00 0.00 H ATOM 1512 HG3 GLN B 39 -9.284 -3.856 -34.983 1.00 0.00 H ATOM 1513 HE22 GLN B 39 -10.071 -5.554 -36.680 1.00 0.00 H ATOM 1514 HE21 GLN B 39 -10.155 -7.233 -36.032 1.00 0.00 H ATOM 1515 H GLN B 39 -5.726 -4.806 -34.496 1.00 0.00 H ATOM 1516 N LEU B 40 -4.620 -3.506 -37.161 1.00 19.38 N ATOM 1517 CA LEU B 40 -3.713 -2.796 -38.066 1.00 19.99 C ATOM 1518 C LEU B 40 -2.772 -3.765 -38.752 1.00 19.65 C ATOM 1519 O LEU B 40 -2.602 -3.683 -39.966 1.00 21.31 O ATOM 1520 CB LEU B 40 -2.901 -1.709 -37.349 1.00 18.54 C ATOM 1521 CG LEU B 40 -3.603 -0.433 -36.872 1.00 19.17 C ATOM 1522 CD1 LEU B 40 -2.553 0.568 -36.420 1.00 16.81 C ATOM 1523 CD2 LEU B 40 -4.471 0.158 -37.973 1.00 20.51 C ATOM 1524 HA LEU B 40 -4.339 -2.306 -38.811 1.00 0.00 H ATOM 1525 HB2 LEU B 40 -2.456 -2.174 -36.469 1.00 0.00 H ATOM 1526 HB3 LEU B 40 -2.111 -1.400 -38.034 1.00 0.00 H ATOM 1527 HG LEU B 40 -4.259 -0.676 -36.036 1.00 0.00 H ATOM 1528 HD21 LEU B 40 -3.848 0.403 -38.833 1.00 0.00 H ATOM 1529 HD22 LEU B 40 -5.228 -0.569 -38.266 1.00 0.00 H ATOM 1530 HD23 LEU B 40 -4.956 1.062 -37.605 1.00 0.00 H ATOM 1531 HD11 LEU B 40 -1.972 0.139 -35.603 1.00 0.00 H ATOM 1532 HD12 LEU B 40 -1.892 0.801 -37.255 1.00 0.00 H ATOM 1533 HD13 LEU B 40 -3.045 1.479 -36.079 1.00 0.00 H ATOM 1534 H LEU B 40 -4.535 -3.344 -36.137 1.00 0.00 H ATOM 1535 N GLN B 41 -2.234 -4.725 -37.990 1.00 18.79 N ATOM 1536 CA GLN B 41 -1.326 -5.740 -38.533 1.00 20.51 C ATOM 1537 C GLN B 41 -2.050 -6.631 -39.541 1.00 21.20 C ATOM 1538 O GLN B 41 -1.527 -6.878 -40.623 1.00 20.98 O ATOM 1539 CB GLN B 41 -0.735 -6.618 -37.426 1.00 19.45 C ATOM 1540 CG GLN B 41 0.403 -7.518 -37.908 1.00 19.58 C ATOM 1541 CD GLN B 41 0.673 -8.698 -37.004 1.00 20.31 C ATOM 1542 OE1 GLN B 41 -0.199 -9.153 -36.261 1.00 21.99 O ATOM 1543 NE2 GLN B 41 1.889 -9.217 -37.078 1.00 21.89 N ATOM 1544 HA GLN B 41 -0.515 -5.208 -39.030 1.00 0.00 H ATOM 1545 HB2 GLN B 41 -0.353 -5.970 -36.637 1.00 0.00 H ATOM 1546 HB3 GLN B 41 -1.528 -7.249 -37.024 1.00 0.00 H ATOM 1547 HG2 GLN B 41 0.147 -7.895 -38.898 1.00 0.00 H ATOM 1548 HG3 GLN B 41 1.311 -6.919 -37.972 1.00 0.00 H ATOM 1549 HE22 GLN B 41 2.594 -8.801 -37.719 1.00 0.00 H ATOM 1550 HE21 GLN B 41 2.139 -10.041 -36.495 1.00 0.00 H ATOM 1551 H GLN B 41 -2.468 -4.752 -36.977 1.00 0.00 H ATOM 1552 N ALA B 42 -3.265 -7.061 -39.185 1.00 21.97 N ATOM 1553 CA ALA B 42 -4.102 -7.920 -40.034 1.00 24.93 C ATOM 1554 C ALA B 42 -4.457 -7.245 -41.359 1.00 25.66 C ATOM 1555 O ALA B 42 -4.506 -7.906 -42.397 1.00 26.84 O ATOM 1556 CB ALA B 42 -5.370 -8.327 -39.295 1.00 25.69 C ATOM 1557 HA ALA B 42 -3.520 -8.812 -40.265 1.00 0.00 H ATOM 1558 HB1 ALA B 42 -5.102 -8.874 -38.391 1.00 0.00 H ATOM 1559 HB2 ALA B 42 -5.935 -7.434 -39.027 1.00 0.00 H ATOM 1560 HB3 ALA B 42 -5.977 -8.963 -39.940 1.00 0.00 H ATOM 1561 H ALA B 42 -3.637 -6.772 -38.258 1.00 0.00 H ATOM 1562 N ARG B 43 -4.644 -5.924 -41.315 1.00 27.35 N ATOM 1563 CA ARG B 43 -4.969 -5.122 -42.497 1.00 29.23 C ATOM 1564 C ARG B 43 -3.765 -4.921 -43.426 1.00 29.77 C ATOM 1565 O ARG B 43 -3.924 -5.010 -44.644 1.00 31.26 O ATOM 1566 CB ARG B 43 -5.543 -3.758 -42.094 1.00 31.18 C ATOM 1567 CG ARG B 43 -5.964 -2.872 -43.271 1.00 34.63 C ATOM 1568 CD ARG B 43 -6.523 -1.546 -42.811 1.00 40.69 C ATOM 1569 NE ARG B 43 -7.761 -1.694 -42.052 1.00 45.24 N ATOM 1570 CZ ARG B 43 -8.976 -1.478 -42.548 1.00 47.82 C ATOM 1571 NH1 ARG B 43 -9.135 -1.096 -43.813 1.00 50.14 N ATOM 1572 NH2 ARG B 43 -10.040 -1.651 -41.777 1.00 49.06 N ATOM 1573 HA ARG B 43 -5.722 -5.685 -43.049 1.00 0.00 H ATOM 1574 HB2 ARG B 43 -6.418 -3.929 -41.466 1.00 0.00 H ATOM 1575 HB3 ARG B 43 -4.784 -3.225 -41.521 1.00 0.00 H ATOM 1576 HG2 ARG B 43 -5.094 -2.688 -43.902 1.00 0.00 H ATOM 1577 HG3 ARG B 43 -6.726 -3.394 -43.849 1.00 0.00 H ATOM 1578 HD2 ARG B 43 -6.721 -0.927 -43.686 1.00 0.00 H ATOM 1579 HD3 ARG B 43 -5.783 -1.054 -42.180 1.00 0.00 H ATOM 1580 HE ARG B 43 -7.688 -1.988 -41.057 1.00 0.00 H ATOM 1581 HH12 ARG B 43 -10.090 -0.930 -44.190 1.00 0.00 H ATOM 1582 HH11 ARG B 43 -8.304 -0.963 -44.425 1.00 0.00 H ATOM 1583 HH22 ARG B 43 -10.992 -1.483 -42.160 1.00 0.00 H ATOM 1584 HH21 ARG B 43 -9.923 -1.954 -40.789 1.00 0.00 H ATOM 1585 H ARG B 43 -4.555 -5.441 -40.398 1.00 0.00 H ATOM 1586 N ILE B 44 -2.575 -4.680 -42.863 1.00 29.11 N ATOM 1587 CA ILE B 44 -1.380 -4.458 -43.687 1.00 30.52 C ATOM 1588 C ILE B 44 -0.708 -5.724 -44.228 1.00 30.30 C ATOM 1589 O ILE B 44 0.090 -5.651 -45.170 1.00 32.75 O ATOM 1590 CB ILE B 44 -0.339 -3.467 -43.036 1.00 31.96 C ATOM 1591 CG1 ILE B 44 0.568 -4.148 -42.012 1.00 34.03 C ATOM 1592 CG2 ILE B 44 -1.060 -2.284 -42.408 1.00 30.68 C ATOM 1593 CD1 ILE B 44 1.658 -3.234 -41.494 1.00 35.89 C ATOM 1594 HA ILE B 44 -1.784 -3.961 -44.569 1.00 0.00 H ATOM 1595 HB ILE B 44 0.308 -3.113 -43.839 1.00 0.00 H ATOM 1596 HG12 ILE B 44 -0.042 -4.476 -41.170 1.00 0.00 H ATOM 1597 HG13 ILE B 44 1.034 -5.015 -42.481 1.00 0.00 H ATOM 1598 HD11 ILE B 44 2.281 -2.906 -42.326 1.00 0.00 H ATOM 1599 HD12 ILE B 44 1.205 -2.367 -41.014 1.00 0.00 H ATOM 1600 HD13 ILE B 44 2.269 -3.773 -40.771 1.00 0.00 H ATOM 1601 HG21 ILE B 44 -1.625 -1.755 -43.176 1.00 0.00 H ATOM 1602 HG22 ILE B 44 -1.741 -2.643 -41.637 1.00 0.00 H ATOM 1603 HG23 ILE B 44 -0.329 -1.609 -41.963 1.00 0.00 H ATOM 1604 H ILE B 44 -2.495 -4.649 -41.826 1.00 0.00 H ATOM 1605 N LEU B 45 -1.028 -6.869 -43.625 1.00 29.16 N ATOM 1606 CA LEU B 45 -0.495 -8.156 -44.065 1.00 27.31 C ATOM 1607 C LEU B 45 -1.499 -8.847 -44.980 1.00 26.44 C ATOM 1608 O LEU B 45 -1.132 -9.682 -45.803 1.00 25.60 O ATOM 1609 CB LEU B 45 -0.167 -9.064 -42.876 1.00 27.54 C ATOM 1610 CG LEU B 45 1.078 -8.797 -42.026 1.00 25.30 C ATOM 1611 CD1 LEU B 45 1.161 -9.885 -40.972 1.00 25.50 C ATOM 1612 CD2 LEU B 45 2.345 -8.794 -42.873 1.00 24.96 C ATOM 1613 HA LEU B 45 0.430 -7.967 -44.610 1.00 0.00 H ATOM 1614 HB2 LEU B 45 -1.023 -9.021 -42.202 1.00 0.00 H ATOM 1615 HB3 LEU B 45 -0.067 -10.075 -43.271 1.00 0.00 H ATOM 1616 HG LEU B 45 0.997 -7.812 -41.565 1.00 0.00 H ATOM 1617 HD21 LEU B 45 2.459 -9.764 -43.357 1.00 0.00 H ATOM 1618 HD22 LEU B 45 2.272 -8.015 -43.631 1.00 0.00 H ATOM 1619 HD23 LEU B 45 3.207 -8.601 -42.234 1.00 0.00 H ATOM 1620 HD11 LEU B 45 0.265 -9.857 -40.352 1.00 0.00 H ATOM 1621 HD12 LEU B 45 1.236 -10.857 -41.460 1.00 0.00 H ATOM 1622 HD13 LEU B 45 2.041 -9.720 -40.350 1.00 0.00 H ATOM 1623 H LEU B 45 -1.679 -6.845 -42.814 1.00 0.00 H TER 1624 LEU B 45 HETATM 1625 CA ACE C 0 -5.786 -6.287 21.734 1.00 30.07 C HETATM 1626 C ACE C 0 -5.792 -5.504 20.452 1.00 30.84 C HETATM 1627 O ACE C 0 -5.905 -6.080 19.372 1.00 30.68 O HETATM 1628 H3 ACE C 0 -5.677 -5.603 22.576 1.00 0.00 H HETATM 1629 H2 ACE C 0 -4.953 -6.990 21.725 1.00 0.00 H HETATM 1630 H1 ACE C 0 -6.724 -6.835 21.828 1.00 0.00 H ATOM 1631 N ARG C 1 -5.665 -4.183 20.565 1.00 30.63 N ATOM 1632 CA ARG C 1 -5.649 -3.286 19.410 1.00 30.88 C ATOM 1633 C ARG C 1 -4.392 -3.417 18.550 1.00 31.80 C ATOM 1634 O ARG C 1 -4.488 -3.451 17.324 1.00 30.82 O ATOM 1635 CB ARG C 1 -5.813 -1.833 19.861 1.00 30.07 C ATOM 1636 CG ARG C 1 -7.251 -1.441 20.145 1.00 31.91 C ATOM 1637 CD ARG C 1 -7.356 -0.092 20.859 1.00 32.36 C ATOM 1638 NE ARG C 1 -7.075 1.064 20.003 1.00 32.74 N ATOM 1639 CZ ARG C 1 -6.745 2.277 20.448 1.00 32.71 C ATOM 1640 NH1 ARG C 1 -6.639 2.523 21.747 1.00 32.30 N ATOM 1641 NH2 ARG C 1 -6.542 3.262 19.587 1.00 33.01 N ATOM 1642 HA ARG C 1 -6.491 -3.586 18.786 1.00 0.00 H ATOM 1643 HB2 ARG C 1 -5.230 -1.687 20.770 1.00 0.00 H ATOM 1644 HB3 ARG C 1 -5.428 -1.183 19.075 1.00 0.00 H ATOM 1645 HG2 ARG C 1 -7.791 -1.381 19.200 1.00 0.00 H ATOM 1646 HG3 ARG C 1 -7.706 -2.207 20.774 1.00 0.00 H ATOM 1647 HD2 ARG C 1 -6.646 -0.086 21.686 1.00 0.00 H ATOM 1648 HD3 ARG C 1 -8.368 0.010 21.250 1.00 0.00 H ATOM 1649 HE ARG C 1 -7.138 0.928 18.974 1.00 0.00 H ATOM 1650 HH12 ARG C 1 -6.381 3.475 22.077 1.00 0.00 H ATOM 1651 HH11 ARG C 1 -6.814 1.764 22.436 1.00 0.00 H ATOM 1652 HH22 ARG C 1 -6.285 4.209 19.931 1.00 0.00 H ATOM 1653 HH21 ARG C 1 -6.640 3.089 18.566 1.00 0.00 H ATOM 1654 H ARG C 1 -5.573 -3.772 21.516 1.00 0.00 H ATOM 1655 N MET C 2 -3.231 -3.549 19.206 1.00 32.54 N ATOM 1656 CA MET C 2 -1.910 -3.672 18.547 1.00 33.98 C ATOM 1657 C MET C 2 -1.841 -4.878 17.666 1.00 34.05 C ATOM 1658 O MET C 2 -1.255 -4.914 16.594 1.00 34.40 O ATOM 1659 CB MET C 2 -0.817 -3.791 19.590 1.00 34.76 C ATOM 1660 CG MET C 2 -0.158 -2.492 19.901 1.00 36.61 C ATOM 1661 SD MET C 2 1.108 -2.694 21.141 1.00 41.91 S ATOM 1662 CE MET C 2 0.561 -1.492 22.327 1.00 39.39 C ATOM 1663 HA MET C 2 -1.771 -2.777 17.940 1.00 0.00 H ATOM 1664 HB2 MET C 2 -1.254 -4.186 20.507 1.00 0.00 H ATOM 1665 HB3 MET C 2 -0.061 -4.484 19.222 1.00 0.00 H ATOM 1666 HG2 MET C 2 -0.908 -1.791 20.268 1.00 0.00 H ATOM 1667 HG3 MET C 2 0.294 -2.095 18.992 1.00 0.00 H ATOM 1668 HE1 MET C 2 0.546 -0.506 21.863 1.00 0.00 H ATOM 1669 HE2 MET C 2 -0.442 -1.750 22.668 1.00 0.00 H ATOM 1670 HE3 MET C 2 1.244 -1.484 23.176 1.00 0.00 H ATOM 1671 H MET C 2 -3.259 -3.566 20.245 1.00 0.00 H ATOM 1672 N LYS C 3 -2.603 -5.833 18.125 1.00 34.60 N ATOM 1673 CA LYS C 3 -2.729 -7.089 17.482 1.00 35.63 C ATOM 1674 C LYS C 3 -3.519 -7.039 16.174 1.00 35.86 C ATOM 1675 O LYS C 3 -3.206 -7.742 15.198 1.00 33.68 O ATOM 1676 CB LYS C 3 -3.367 -7.977 18.508 1.00 38.25 C ATOM 1677 CG LYS C 3 -2.866 -9.312 18.393 1.00 40.94 C ATOM 1678 CD LYS C 3 -3.853 -10.192 17.674 1.00 43.82 C ATOM 1679 CE LYS C 3 -4.283 -11.248 18.646 1.00 45.84 C ATOM 1680 NZ LYS C 3 -5.190 -10.557 19.630 1.00 47.85 N ATOM 1681 HA LYS C 3 -1.757 -7.462 17.160 1.00 0.00 H ATOM 1682 HB2 LYS C 3 -3.144 -7.594 19.504 1.00 0.00 H ATOM 1683 HB3 LYS C 3 -4.446 -7.984 18.356 1.00 0.00 H ATOM 1684 HG2 LYS C 3 -1.929 -9.296 17.836 1.00 0.00 H ATOM 1685 HG3 LYS C 3 -2.688 -9.715 19.390 1.00 0.00 H ATOM 1686 HD2 LYS C 3 -4.714 -9.606 17.352 1.00 0.00 H ATOM 1687 HD3 LYS C 3 -3.382 -10.651 16.805 1.00 0.00 H ATOM 1688 HE2 LYS C 3 -3.417 -11.668 19.158 1.00 0.00 H ATOM 1689 HE3 LYS C 3 -4.819 -12.044 18.129 1.00 0.00 H ATOM 1690 HZ1 LYS C 3 -4.666 -9.796 20.107 1.00 0.00 H ATOM 1691 HZ2 LYS C 3 -6.005 -10.155 19.125 1.00 0.00 H ATOM 1692 HZ3 LYS C 3 -5.523 -11.245 20.335 1.00 0.00 H ATOM 1693 H LYS C 3 -3.140 -5.665 18.999 1.00 0.00 H ATOM 1694 N GLN C 4 -4.630 -6.318 16.233 1.00 35.29 N ATOM 1695 CA GLN C 4 -5.500 -6.113 15.090 1.00 34.93 C ATOM 1696 C GLN C 4 -4.783 -5.235 14.071 1.00 32.68 C ATOM 1697 O GLN C 4 -4.913 -5.460 12.868 1.00 31.99 O ATOM 1698 CB GLN C 4 -6.835 -5.494 15.518 1.00 37.92 C ATOM 1699 CG GLN C 4 -7.807 -6.542 16.044 1.00 44.18 C ATOM 1700 CD GLN C 4 -9.071 -5.967 16.652 1.00 47.11 C ATOM 1701 OE1 GLN C 4 -9.793 -5.202 16.011 1.00 50.86 O ATOM 1702 NE2 GLN C 4 -9.370 -6.371 17.882 1.00 48.68 N ATOM 1703 HA GLN C 4 -5.728 -7.076 14.633 1.00 0.00 H ATOM 1704 HB2 GLN C 4 -6.648 -4.761 16.303 1.00 0.00 H ATOM 1705 HB3 GLN C 4 -7.284 -4.997 14.658 1.00 0.00 H ATOM 1706 HG2 GLN C 4 -8.090 -7.192 15.216 1.00 0.00 H ATOM 1707 HG3 GLN C 4 -7.297 -7.130 16.807 1.00 0.00 H ATOM 1708 HE22 GLN C 4 -8.731 -7.018 18.387 1.00 0.00 H ATOM 1709 HE21 GLN C 4 -10.243 -6.040 18.340 1.00 0.00 H ATOM 1710 H GLN C 4 -4.890 -5.879 17.140 1.00 0.00 H ATOM 1711 N ILE C 5 -3.951 -4.311 14.571 1.00 30.34 N ATOM 1712 CA ILE C 5 -3.145 -3.403 13.745 1.00 27.94 C ATOM 1713 C ILE C 5 -2.102 -4.241 12.992 1.00 27.67 C ATOM 1714 O ILE C 5 -1.944 -4.076 11.784 1.00 28.06 O ATOM 1715 CB ILE C 5 -2.460 -2.279 14.621 1.00 27.47 C ATOM 1716 CG1 ILE C 5 -3.494 -1.217 15.016 1.00 28.71 C ATOM 1717 CG2 ILE C 5 -1.265 -1.624 13.907 1.00 24.80 C ATOM 1718 CD1 ILE C 5 -3.053 -0.298 16.166 1.00 29.88 C ATOM 1719 HA ILE C 5 -3.787 -2.887 13.032 1.00 0.00 H ATOM 1720 HB ILE C 5 -2.070 -2.759 15.518 1.00 0.00 H ATOM 1721 HG12 ILE C 5 -3.697 -0.597 14.143 1.00 0.00 H ATOM 1722 HG13 ILE C 5 -4.409 -1.727 15.319 1.00 0.00 H ATOM 1723 HD11 ILE C 5 -2.858 -0.898 17.055 1.00 0.00 H ATOM 1724 HD12 ILE C 5 -2.146 0.233 15.878 1.00 0.00 H ATOM 1725 HD13 ILE C 5 -3.844 0.421 16.378 1.00 0.00 H ATOM 1726 HG21 ILE C 5 -0.515 -2.383 13.686 1.00 0.00 H ATOM 1727 HG22 ILE C 5 -1.605 -1.166 12.978 1.00 0.00 H ATOM 1728 HG23 ILE C 5 -0.832 -0.860 14.553 1.00 0.00 H ATOM 1729 H ILE C 5 -3.871 -4.232 15.605 1.00 0.00 H ATOM 1730 N GLU C 6 -1.466 -5.180 13.703 1.00 26.62 N ATOM 1731 CA GLU C 6 -0.445 -6.077 13.142 1.00 26.80 C ATOM 1732 C GLU C 6 -0.963 -6.966 12.003 1.00 26.49 C ATOM 1733 O GLU C 6 -0.296 -7.106 10.970 1.00 24.99 O ATOM 1734 CB GLU C 6 0.181 -6.938 14.247 1.00 27.73 C ATOM 1735 CG GLU C 6 1.237 -6.201 15.079 1.00 29.51 C ATOM 1736 CD GLU C 6 1.635 -6.918 16.373 1.00 31.71 C ATOM 1737 OE1 GLU C 6 2.680 -6.540 16.945 1.00 33.77 O ATOM 1738 OE2 GLU C 6 0.916 -7.835 16.833 1.00 30.67 O ATOM 1739 HA GLU C 6 0.315 -5.431 12.704 1.00 0.00 H ATOM 1740 HB2 GLU C 6 -0.613 -7.271 14.915 1.00 0.00 H ATOM 1741 HB3 GLU C 6 0.652 -7.805 13.783 1.00 0.00 H ATOM 1742 HG2 GLU C 6 2.131 -6.080 14.467 1.00 0.00 H ATOM 1743 HG3 GLU C 6 0.842 -5.219 15.340 1.00 0.00 H ATOM 1744 H GLU C 6 -1.708 -5.281 14.709 1.00 0.00 H ATOM 1745 N ASP C 7 -2.178 -7.498 12.175 1.00 26.53 N ATOM 1746 CA ASP C 7 -2.823 -8.354 11.177 1.00 26.62 C ATOM 1747 C ASP C 7 -3.353 -7.547 9.992 1.00 26.17 C ATOM 1748 O ASP C 7 -3.424 -8.058 8.871 1.00 26.46 O ATOM 1749 CB ASP C 7 -3.939 -9.192 11.817 1.00 27.89 C ATOM 1750 CG ASP C 7 -3.400 -10.329 12.695 1.00 30.87 C ATOM 1751 OD1 ASP C 7 -4.212 -10.964 13.403 1.00 33.62 O ATOM 1752 OD2 ASP C 7 -2.176 -10.600 12.678 1.00 29.89 O ATOM 1753 HA ASP C 7 -2.064 -9.033 10.790 1.00 0.00 H ATOM 1754 HB2 ASP C 7 -4.556 -8.538 12.433 1.00 0.00 H ATOM 1755 HB3 ASP C 7 -4.549 -9.624 11.024 1.00 0.00 H ATOM 1756 H ASP C 7 -2.688 -7.294 13.058 1.00 0.00 H ATOM 1757 N LYS C 8 -3.660 -6.272 10.242 1.00 25.27 N ATOM 1758 CA LYS C 8 -4.149 -5.355 9.211 1.00 25.45 C ATOM 1759 C LYS C 8 -2.983 -4.951 8.305 1.00 24.08 C ATOM 1760 O LYS C 8 -3.143 -4.884 7.088 1.00 25.05 O ATOM 1761 CB LYS C 8 -4.785 -4.111 9.852 1.00 26.56 C ATOM 1762 CG LYS C 8 -5.577 -3.223 8.904 1.00 27.92 C ATOM 1763 CD LYS C 8 -6.723 -3.979 8.244 1.00 33.03 C ATOM 1764 CE LYS C 8 -7.439 -3.117 7.239 1.00 34.19 C ATOM 1765 NZ LYS C 8 -8.427 -3.885 6.429 1.00 34.88 N ATOM 1766 HA LYS C 8 -4.914 -5.856 8.617 1.00 0.00 H ATOM 1767 HB2 LYS C 8 -5.458 -4.446 10.641 1.00 0.00 H ATOM 1768 HB3 LYS C 8 -3.986 -3.511 10.288 1.00 0.00 H ATOM 1769 HG2 LYS C 8 -5.986 -2.383 9.466 1.00 0.00 H ATOM 1770 HG3 LYS C 8 -4.908 -2.849 8.129 1.00 0.00 H ATOM 1771 HD2 LYS C 8 -6.324 -4.858 7.738 1.00 0.00 H ATOM 1772 HD3 LYS C 8 -7.431 -4.293 9.011 1.00 0.00 H ATOM 1773 HE2 LYS C 8 -6.702 -2.677 6.567 1.00 0.00 H ATOM 1774 HE3 LYS C 8 -7.964 -2.323 7.770 1.00 0.00 H ATOM 1775 HZ1 LYS C 8 -7.936 -4.641 5.911 1.00 0.00 H ATOM 1776 HZ2 LYS C 8 -9.141 -4.303 7.060 1.00 0.00 H ATOM 1777 HZ3 LYS C 8 -8.892 -3.245 5.753 1.00 0.00 H ATOM 1778 H LYS C 8 -3.547 -5.914 11.212 1.00 0.00 H ATOM 1779 N ILE C 9 -1.811 -4.747 8.915 1.00 21.85 N ATOM 1780 CA ILE C 9 -0.571 -4.380 8.223 1.00 21.77 C ATOM 1781 C ILE C 9 -0.150 -5.508 7.263 1.00 22.33 C ATOM 1782 O ILE C 9 0.316 -5.242 6.150 1.00 23.18 O ATOM 1783 CB ILE C 9 0.550 -4.045 9.265 1.00 22.12 C ATOM 1784 CG1 ILE C 9 0.370 -2.609 9.762 1.00 21.03 C ATOM 1785 CG2 ILE C 9 1.961 -4.271 8.709 1.00 22.91 C ATOM 1786 CD1 ILE C 9 1.244 -2.248 10.929 1.00 21.86 C ATOM 1787 HA ILE C 9 -0.738 -3.484 7.625 1.00 0.00 H ATOM 1788 HB ILE C 9 0.446 -4.734 10.104 1.00 0.00 H ATOM 1789 HG12 ILE C 9 0.599 -1.931 8.940 1.00 0.00 H ATOM 1790 HG13 ILE C 9 -0.670 -2.478 10.060 1.00 0.00 H ATOM 1791 HD11 ILE C 9 1.020 -2.908 11.767 1.00 0.00 H ATOM 1792 HD12 ILE C 9 2.291 -2.361 10.646 1.00 0.00 H ATOM 1793 HD13 ILE C 9 1.054 -1.214 11.218 1.00 0.00 H ATOM 1794 HG21 ILE C 9 2.074 -5.316 8.421 1.00 0.00 H ATOM 1795 HG22 ILE C 9 2.113 -3.634 7.838 1.00 0.00 H ATOM 1796 HG23 ILE C 9 2.696 -4.023 9.475 1.00 0.00 H ATOM 1797 H ILE C 9 -1.776 -4.856 9.949 1.00 0.00 H ATOM 1798 N GLU C 10 -0.369 -6.752 7.694 1.00 21.42 N ATOM 1799 CA GLU C 10 -0.052 -7.942 6.905 1.00 20.46 C ATOM 1800 C GLU C 10 -0.971 -8.053 5.694 1.00 20.58 C ATOM 1801 O GLU C 10 -0.550 -8.509 4.634 1.00 21.80 O ATOM 1802 CB GLU C 10 -0.168 -9.189 7.770 1.00 19.32 C ATOM 1803 CG GLU C 10 0.928 -9.283 8.823 1.00 18.92 C ATOM 1804 CD GLU C 10 0.636 -10.292 9.922 1.00 19.03 C ATOM 1805 OE1 GLU C 10 1.533 -10.495 10.768 1.00 22.61 O ATOM 1806 OE2 GLU C 10 -0.474 -10.874 9.958 1.00 17.93 O ATOM 1807 HA GLU C 10 0.973 -7.852 6.546 1.00 0.00 H ATOM 1808 HB2 GLU C 10 -1.135 -9.175 8.274 1.00 0.00 H ATOM 1809 HB3 GLU C 10 -0.108 -10.066 7.126 1.00 0.00 H ATOM 1810 HG2 GLU C 10 1.856 -9.571 8.329 1.00 0.00 H ATOM 1811 HG3 GLU C 10 1.051 -8.301 9.281 1.00 0.00 H ATOM 1812 H GLU C 10 -0.786 -6.882 8.638 1.00 0.00 H ATOM 1813 N GLU C 11 -2.212 -7.592 5.854 1.00 21.60 N ATOM 1814 CA GLU C 11 -3.195 -7.601 4.773 1.00 23.43 C ATOM 1815 C GLU C 11 -2.901 -6.495 3.755 1.00 21.51 C ATOM 1816 O GLU C 11 -3.119 -6.687 2.554 1.00 21.50 O ATOM 1817 CB GLU C 11 -4.614 -7.485 5.327 1.00 27.27 C ATOM 1818 CG GLU C 11 -5.113 -8.778 5.977 1.00 34.49 C ATOM 1819 CD GLU C 11 -6.543 -8.692 6.502 1.00 38.14 C ATOM 1820 OE1 GLU C 11 -6.971 -9.639 7.195 1.00 41.53 O ATOM 1821 OE2 GLU C 11 -7.246 -7.692 6.226 1.00 43.12 O ATOM 1822 HA GLU C 11 -3.119 -8.556 4.253 1.00 0.00 H ATOM 1823 HB2 GLU C 11 -4.631 -6.692 6.074 1.00 0.00 H ATOM 1824 HB3 GLU C 11 -5.286 -7.226 4.509 1.00 0.00 H ATOM 1825 HG2 GLU C 11 -5.066 -9.576 5.236 1.00 0.00 H ATOM 1826 HG3 GLU C 11 -4.454 -9.020 6.811 1.00 0.00 H ATOM 1827 H GLU C 11 -2.490 -7.212 6.781 1.00 0.00 H ATOM 1828 N ILE C 12 -2.347 -5.377 4.237 1.00 20.12 N ATOM 1829 CA ILE C 12 -1.965 -4.238 3.388 1.00 21.11 C ATOM 1830 C ILE C 12 -0.722 -4.636 2.587 1.00 21.45 C ATOM 1831 O ILE C 12 -0.638 -4.338 1.393 1.00 22.09 O ATOM 1832 CB ILE C 12 -1.692 -2.933 4.225 1.00 21.39 C ATOM 1833 CG1 ILE C 12 -3.001 -2.438 4.856 1.00 22.28 C ATOM 1834 CG2 ILE C 12 -1.103 -1.802 3.340 1.00 21.22 C ATOM 1835 CD1 ILE C 12 -2.835 -1.318 5.881 1.00 22.85 C ATOM 1836 HA ILE C 12 -2.793 -4.004 2.719 1.00 0.00 H ATOM 1837 HB ILE C 12 -0.967 -3.182 5.000 1.00 0.00 H ATOM 1838 HG12 ILE C 12 -3.646 -2.074 4.057 1.00 0.00 H ATOM 1839 HG13 ILE C 12 -3.480 -3.283 5.351 1.00 0.00 H ATOM 1840 HD11 ILE C 12 -2.204 -1.666 6.698 1.00 0.00 H ATOM 1841 HD12 ILE C 12 -2.370 -0.456 5.403 1.00 0.00 H ATOM 1842 HD13 ILE C 12 -3.813 -1.036 6.271 1.00 0.00 H ATOM 1843 HG21 ILE C 12 -0.161 -2.136 2.904 1.00 0.00 H ATOM 1844 HG22 ILE C 12 -1.808 -1.561 2.544 1.00 0.00 H ATOM 1845 HG23 ILE C 12 -0.928 -0.917 3.952 1.00 0.00 H ATOM 1846 H ILE C 12 -2.178 -5.310 5.261 1.00 0.00 H ATOM 1847 N GLU C 13 0.205 -5.342 3.243 1.00 21.78 N ATOM 1848 CA GLU C 13 1.449 -5.827 2.620 1.00 23.50 C ATOM 1849 C GLU C 13 1.169 -6.878 1.555 1.00 21.72 C ATOM 1850 O GLU C 13 1.830 -6.899 0.519 1.00 22.18 O ATOM 1851 CB GLU C 13 2.394 -6.413 3.663 1.00 26.35 C ATOM 1852 CG GLU C 13 3.442 -5.449 4.164 1.00 34.92 C ATOM 1853 CD GLU C 13 4.837 -6.059 4.149 1.00 40.53 C ATOM 1854 OE1 GLU C 13 5.139 -6.891 5.038 1.00 43.58 O ATOM 1855 OE2 GLU C 13 5.638 -5.707 3.252 1.00 41.94 O ATOM 1856 HA GLU C 13 1.921 -4.965 2.149 1.00 0.00 H ATOM 1857 HB2 GLU C 13 1.800 -6.744 4.515 1.00 0.00 H ATOM 1858 HB3 GLU C 13 2.902 -7.270 3.221 1.00 0.00 H ATOM 1859 HG2 GLU C 13 3.438 -4.564 3.528 1.00 0.00 H ATOM 1860 HG3 GLU C 13 3.195 -5.161 5.186 1.00 0.00 H ATOM 1861 H GLU C 13 0.039 -5.560 4.246 1.00 0.00 H ATOM 1862 N SER C 14 0.164 -7.719 1.821 1.00 21.39 N ATOM 1863 CA SER C 14 -0.292 -8.785 0.918 1.00 21.99 C ATOM 1864 C SER C 14 -0.827 -8.154 -0.354 1.00 21.82 C ATOM 1865 O SER C 14 -0.481 -8.565 -1.465 1.00 20.39 O ATOM 1866 CB SER C 14 -1.402 -9.608 1.589 1.00 22.06 C ATOM 1867 OG SER C 14 -2.069 -10.450 0.661 1.00 23.85 O ATOM 1868 HA SER C 14 0.543 -9.446 0.686 1.00 0.00 H ATOM 1869 HB2 SER C 14 -2.128 -8.926 2.032 1.00 0.00 H ATOM 1870 HB3 SER C 14 -0.960 -10.225 2.371 1.00 0.00 H ATOM 1871 HG SER C 14 -2.775 -10.962 1.130 1.00 0.00 H ATOM 1872 H SER C 14 -0.329 -7.611 2.730 1.00 0.00 H ATOM 1873 N LYS C 15 -1.617 -7.102 -0.159 1.00 20.48 N ATOM 1874 CA LYS C 15 -2.211 -6.364 -1.250 1.00 21.29 C ATOM 1875 C LYS C 15 -1.197 -5.617 -2.096 1.00 20.99 C ATOM 1876 O LYS C 15 -1.360 -5.516 -3.313 1.00 20.22 O ATOM 1877 CB LYS C 15 -3.262 -5.386 -0.736 1.00 23.76 C ATOM 1878 CG LYS C 15 -4.712 -5.863 -0.846 1.00 31.05 C ATOM 1879 CD LYS C 15 -5.100 -6.356 -2.267 1.00 36.29 C ATOM 1880 CE LYS C 15 -4.999 -5.266 -3.347 1.00 37.81 C ATOM 1881 NZ LYS C 15 -5.164 -5.758 -4.731 1.00 39.88 N ATOM 1882 HA LYS C 15 -2.679 -7.111 -1.891 1.00 0.00 H ATOM 1883 HB2 LYS C 15 -3.052 -5.188 0.315 1.00 0.00 H ATOM 1884 HB3 LYS C 15 -3.168 -4.461 -1.305 1.00 0.00 H ATOM 1885 HG2 LYS C 15 -4.859 -6.684 -0.144 1.00 0.00 H ATOM 1886 HG3 LYS C 15 -5.368 -5.035 -0.577 1.00 0.00 H ATOM 1887 HD2 LYS C 15 -4.435 -7.175 -2.541 1.00 0.00 H ATOM 1888 HD3 LYS C 15 -6.128 -6.718 -2.238 1.00 0.00 H ATOM 1889 HE2 LYS C 15 -4.019 -4.797 -3.267 1.00 0.00 H ATOM 1890 HE3 LYS C 15 -5.773 -4.523 -3.155 1.00 0.00 H ATOM 1891 HZ1 LYS C 15 -4.425 -6.460 -4.939 1.00 0.00 H ATOM 1892 HZ2 LYS C 15 -6.101 -6.199 -4.832 1.00 0.00 H ATOM 1893 HZ3 LYS C 15 -5.082 -4.960 -5.393 1.00 0.00 H ATOM 1894 H LYS C 15 -1.815 -6.799 0.816 1.00 0.00 H ATOM 1895 N GLN C 16 -0.128 -5.155 -1.444 1.00 19.66 N ATOM 1896 CA GLN C 16 0.957 -4.426 -2.088 1.00 19.07 C ATOM 1897 C GLN C 16 1.750 -5.360 -3.010 1.00 18.49 C ATOM 1898 O GLN C 16 2.187 -4.953 -4.088 1.00 18.14 O ATOM 1899 CB GLN C 16 1.861 -3.832 -1.016 1.00 19.25 C ATOM 1900 CG GLN C 16 2.645 -2.635 -1.451 1.00 21.66 C ATOM 1901 CD GLN C 16 3.181 -1.869 -0.273 1.00 22.23 C ATOM 1902 OE1 GLN C 16 2.724 -0.767 0.022 1.00 25.20 O ATOM 1903 NE2 GLN C 16 4.152 -2.449 0.418 1.00 23.01 N ATOM 1904 HA GLN C 16 0.547 -3.621 -2.698 1.00 0.00 H ATOM 1905 HB2 GLN C 16 1.239 -3.541 -0.170 1.00 0.00 H ATOM 1906 HB3 GLN C 16 2.565 -4.602 -0.700 1.00 0.00 H ATOM 1907 HG2 GLN C 16 3.480 -2.964 -2.070 1.00 0.00 H ATOM 1908 HG3 GLN C 16 1.998 -1.980 -2.035 1.00 0.00 H ATOM 1909 HE22 GLN C 16 4.508 -3.383 0.131 1.00 0.00 H ATOM 1910 HE21 GLN C 16 4.558 -1.970 1.247 1.00 0.00 H ATOM 1911 H GLN C 16 -0.066 -5.325 -0.420 1.00 0.00 H ATOM 1912 N LYS C 17 1.874 -6.624 -2.599 1.00 18.43 N ATOM 1913 CA LYS C 17 2.583 -7.633 -3.386 1.00 20.43 C ATOM 1914 C LYS C 17 1.768 -8.037 -4.607 1.00 21.78 C ATOM 1915 O LYS C 17 2.335 -8.311 -5.666 1.00 22.65 O ATOM 1916 CB LYS C 17 2.928 -8.866 -2.542 1.00 21.17 C ATOM 1917 CG LYS C 17 4.038 -8.666 -1.515 1.00 23.93 C ATOM 1918 CD LYS C 17 5.377 -8.269 -2.150 1.00 25.35 C ATOM 1919 CE LYS C 17 6.480 -8.152 -1.100 1.00 26.82 C ATOM 1920 NZ LYS C 17 6.132 -7.186 -0.015 1.00 28.16 N ATOM 1921 HA LYS C 17 3.518 -7.186 -3.723 1.00 0.00 H ATOM 1922 HB2 LYS C 17 2.028 -9.172 -2.009 1.00 0.00 H ATOM 1923 HB3 LYS C 17 3.236 -9.662 -3.220 1.00 0.00 H ATOM 1924 HG2 LYS C 17 3.734 -7.880 -0.823 1.00 0.00 H ATOM 1925 HG3 LYS C 17 4.176 -9.598 -0.966 1.00 0.00 H ATOM 1926 HD2 LYS C 17 5.662 -9.026 -2.881 1.00 0.00 H ATOM 1927 HD3 LYS C 17 5.261 -7.308 -2.651 1.00 0.00 H ATOM 1928 HE2 LYS C 17 7.395 -7.816 -1.588 1.00 0.00 H ATOM 1929 HE3 LYS C 17 6.646 -9.133 -0.656 1.00 0.00 H ATOM 1930 HZ1 LYS C 17 5.979 -6.244 -0.428 1.00 0.00 H ATOM 1931 HZ2 LYS C 17 5.264 -7.502 0.463 1.00 0.00 H ATOM 1932 HZ3 LYS C 17 6.912 -7.142 0.672 1.00 0.00 H ATOM 1933 H LYS C 17 1.453 -6.901 -1.689 1.00 0.00 H ATOM 1934 N LYS C 18 0.439 -8.030 -4.464 1.00 23.80 N ATOM 1935 CA LYS C 18 -0.476 -8.358 -5.564 1.00 25.60 C ATOM 1936 C LYS C 18 -0.404 -7.236 -6.607 1.00 24.51 C ATOM 1937 O LYS C 18 -0.325 -7.512 -7.808 1.00 24.84 O ATOM 1938 CB LYS C 18 -1.911 -8.535 -5.051 1.00 26.96 C ATOM 1939 CG LYS C 18 -2.940 -8.921 -6.125 1.00 32.19 C ATOM 1940 CD LYS C 18 -4.299 -9.223 -5.501 1.00 36.65 C ATOM 1941 CE LYS C 18 -5.462 -8.622 -6.294 1.00 39.90 C ATOM 1942 NZ LYS C 18 -5.635 -9.169 -7.669 1.00 40.52 N ATOM 1943 HA LYS C 18 -0.178 -9.303 -6.018 1.00 0.00 H ATOM 1944 HB2 LYS C 18 -1.905 -9.316 -4.291 1.00 0.00 H ATOM 1945 HB3 LYS C 18 -2.228 -7.594 -4.601 1.00 0.00 H ATOM 1946 HG2 LYS C 18 -3.047 -8.096 -6.829 1.00 0.00 H ATOM 1947 HG3 LYS C 18 -2.587 -9.806 -6.655 1.00 0.00 H ATOM 1948 HD2 LYS C 18 -4.430 -10.304 -5.456 1.00 0.00 H ATOM 1949 HD3 LYS C 18 -4.317 -8.814 -4.491 1.00 0.00 H ATOM 1950 HE2 LYS C 18 -5.297 -7.548 -6.375 1.00 0.00 H ATOM 1951 HE3 LYS C 18 -6.381 -8.806 -5.738 1.00 0.00 H ATOM 1952 HZ1 LYS C 18 -4.773 -8.991 -8.222 1.00 0.00 H ATOM 1953 HZ2 LYS C 18 -5.808 -10.193 -7.614 1.00 0.00 H ATOM 1954 HZ3 LYS C 18 -6.444 -8.703 -8.127 1.00 0.00 H ATOM 1955 H LYS C 18 0.038 -7.782 -3.537 1.00 0.00 H ATOM 1956 N ILE C 19 -0.330 -5.992 -6.118 1.00 22.49 N ATOM 1957 CA ILE C 19 -0.230 -4.778 -6.943 1.00 21.16 C ATOM 1958 C ILE C 19 1.097 -4.768 -7.711 1.00 21.41 C ATOM 1959 O ILE C 19 1.106 -4.515 -8.918 1.00 21.06 O ATOM 1960 CB ILE C 19 -0.409 -3.487 -6.066 1.00 19.58 C ATOM 1961 CG1 ILE C 19 -1.882 -3.352 -5.665 1.00 20.11 C ATOM 1962 CG2 ILE C 19 0.068 -2.216 -6.789 1.00 17.82 C ATOM 1963 CD1 ILE C 19 -2.167 -2.273 -4.652 1.00 19.60 C ATOM 1964 HA ILE C 19 -1.038 -4.782 -7.674 1.00 0.00 H ATOM 1965 HB ILE C 19 0.213 -3.594 -5.178 1.00 0.00 H ATOM 1966 HG12 ILE C 19 -2.459 -3.134 -6.564 1.00 0.00 H ATOM 1967 HG13 ILE C 19 -2.208 -4.304 -5.247 1.00 0.00 H ATOM 1968 HD11 ILE C 19 -1.610 -2.479 -3.738 1.00 0.00 H ATOM 1969 HD12 ILE C 19 -1.862 -1.308 -5.056 1.00 0.00 H ATOM 1970 HD13 ILE C 19 -3.235 -2.255 -4.433 1.00 0.00 H ATOM 1971 HG21 ILE C 19 1.126 -2.314 -7.033 1.00 0.00 H ATOM 1972 HG22 ILE C 19 -0.507 -2.083 -7.705 1.00 0.00 H ATOM 1973 HG23 ILE C 19 -0.078 -1.353 -6.139 1.00 0.00 H ATOM 1974 H ILE C 19 -0.344 -5.876 -5.085 1.00 0.00 H ATOM 1975 N GLU C 20 2.186 -5.113 -7.019 1.00 20.68 N ATOM 1976 CA GLU C 20 3.531 -5.169 -7.603 1.00 22.20 C ATOM 1977 C GLU C 20 3.615 -6.193 -8.730 1.00 20.66 C ATOM 1978 O GLU C 20 4.229 -5.930 -9.762 1.00 20.84 O ATOM 1979 CB GLU C 20 4.558 -5.536 -6.542 1.00 24.90 C ATOM 1980 CG GLU C 20 4.973 -4.413 -5.626 1.00 29.81 C ATOM 1981 CD GLU C 20 5.838 -4.920 -4.486 1.00 34.41 C ATOM 1982 OE1 GLU C 20 5.657 -4.442 -3.349 1.00 36.80 O ATOM 1983 OE2 GLU C 20 6.693 -5.807 -4.714 1.00 38.05 O ATOM 1984 HA GLU C 20 3.742 -4.179 -8.006 1.00 0.00 H ATOM 1985 HB2 GLU C 20 4.138 -6.333 -5.928 1.00 0.00 H ATOM 1986 HB3 GLU C 20 5.450 -5.903 -7.050 1.00 0.00 H ATOM 1987 HG2 GLU C 20 5.537 -3.677 -6.199 1.00 0.00 H ATOM 1988 HG3 GLU C 20 4.080 -3.944 -5.213 1.00 0.00 H ATOM 1989 H GLU C 20 2.075 -5.355 -6.014 1.00 0.00 H ATOM 1990 N ASN C 21 2.966 -7.342 -8.520 1.00 20.51 N ATOM 1991 CA ASN C 21 2.919 -8.431 -9.501 1.00 21.81 C ATOM 1992 C ASN C 21 2.102 -8.025 -10.734 1.00 21.77 C ATOM 1993 O ASN C 21 2.470 -8.367 -11.861 1.00 21.49 O ATOM 1994 CB ASN C 21 2.329 -9.710 -8.882 1.00 22.83 C ATOM 1995 CG ASN C 21 3.280 -10.396 -7.895 1.00 23.93 C ATOM 1996 OD1 ASN C 21 4.469 -10.076 -7.824 1.00 27.62 O ATOM 1997 ND2 ASN C 21 2.749 -11.349 -7.131 1.00 24.32 N ATOM 1998 HA ASN C 21 3.944 -8.635 -9.811 1.00 0.00 H ATOM 1999 HB2 ASN C 21 1.411 -9.449 -8.355 1.00 0.00 H ATOM 2000 HB3 ASN C 21 2.099 -10.410 -9.685 1.00 0.00 H ATOM 2001 HD22 ASN C 21 1.741 -11.588 -7.223 1.00 0.00 H ATOM 2002 HD21 ASN C 21 3.342 -11.854 -6.442 1.00 0.00 H ATOM 2003 H ASN C 21 2.469 -7.470 -7.615 1.00 0.00 H ATOM 2004 N GLU C 22 1.029 -7.260 -10.508 1.00 22.45 N ATOM 2005 CA GLU C 22 0.151 -6.768 -11.578 1.00 22.58 C ATOM 2006 C GLU C 22 0.887 -5.755 -12.451 1.00 22.02 C ATOM 2007 O GLU C 22 0.769 -5.803 -13.674 1.00 21.39 O ATOM 2008 CB GLU C 22 -1.118 -6.118 -11.007 1.00 25.81 C ATOM 2009 CG GLU C 22 -2.113 -7.079 -10.351 1.00 31.29 C ATOM 2010 CD GLU C 22 -3.304 -6.374 -9.691 1.00 34.71 C ATOM 2011 OE1 GLU C 22 -4.405 -6.967 -9.667 1.00 37.46 O ATOM 2012 OE2 GLU C 22 -3.146 -5.243 -9.178 1.00 36.89 O ATOM 2013 HA GLU C 22 -0.139 -7.628 -12.182 1.00 0.00 H ATOM 2014 HB2 GLU C 22 -0.813 -5.387 -10.258 1.00 0.00 H ATOM 2015 HB3 GLU C 22 -1.631 -5.608 -11.823 1.00 0.00 H ATOM 2016 HG2 GLU C 22 -2.494 -7.756 -11.116 1.00 0.00 H ATOM 2017 HG3 GLU C 22 -1.586 -7.653 -9.589 1.00 0.00 H ATOM 2018 H GLU C 22 0.805 -7.000 -9.526 1.00 0.00 H ATOM 2019 N ILE C 23 1.691 -4.892 -11.814 1.00 20.63 N ATOM 2020 CA ILE C 23 2.486 -3.851 -12.493 1.00 21.01 C ATOM 2021 C ILE C 23 3.586 -4.481 -13.357 1.00 21.35 C ATOM 2022 O ILE C 23 3.812 -4.054 -14.486 1.00 20.53 O ATOM 2023 CB ILE C 23 3.078 -2.806 -11.460 1.00 21.21 C ATOM 2024 CG1 ILE C 23 1.946 -1.929 -10.899 1.00 20.93 C ATOM 2025 CG2 ILE C 23 4.178 -1.899 -12.103 1.00 20.21 C ATOM 2026 CD1 ILE C 23 2.364 -0.980 -9.787 1.00 20.48 C ATOM 2027 HA ILE C 23 1.819 -3.300 -13.156 1.00 0.00 H ATOM 2028 HB ILE C 23 3.547 -3.372 -10.655 1.00 0.00 H ATOM 2029 HG12 ILE C 23 1.540 -1.334 -11.718 1.00 0.00 H ATOM 2030 HG13 ILE C 23 1.169 -2.587 -10.509 1.00 0.00 H ATOM 2031 HD11 ILE C 23 2.760 -1.555 -8.950 1.00 0.00 H ATOM 2032 HD12 ILE C 23 3.132 -0.302 -10.159 1.00 0.00 H ATOM 2033 HD13 ILE C 23 1.499 -0.405 -9.457 1.00 0.00 H ATOM 2034 HG21 ILE C 23 4.997 -2.522 -12.462 1.00 0.00 H ATOM 2035 HG22 ILE C 23 3.748 -1.345 -12.938 1.00 0.00 H ATOM 2036 HG23 ILE C 23 4.553 -1.200 -11.356 1.00 0.00 H ATOM 2037 H ILE C 23 1.758 -4.960 -10.778 1.00 0.00 H ATOM 2038 N ALA C 24 4.226 -5.527 -12.836 1.00 22.05 N ATOM 2039 CA ALA C 24 5.275 -6.252 -13.560 1.00 23.67 C ATOM 2040 C ALA C 24 4.729 -6.843 -14.854 1.00 24.74 C ATOM 2041 O ALA C 24 5.367 -6.751 -15.888 1.00 26.17 O ATOM 2042 CB ALA C 24 5.855 -7.345 -12.688 1.00 24.77 C ATOM 2043 HA ALA C 24 6.067 -5.547 -13.813 1.00 0.00 H ATOM 2044 HB1 ALA C 24 6.283 -6.902 -11.789 1.00 0.00 H ATOM 2045 HB2 ALA C 24 5.066 -8.043 -12.410 1.00 0.00 H ATOM 2046 HB3 ALA C 24 6.632 -7.874 -13.240 1.00 0.00 H ATOM 2047 H ALA C 24 3.972 -5.842 -11.878 1.00 0.00 H ATOM 2048 N ARG C 25 3.521 -7.411 -14.775 1.00 24.45 N ATOM 2049 CA ARG C 25 2.818 -8.011 -15.919 1.00 24.68 C ATOM 2050 C ARG C 25 2.416 -6.954 -16.936 1.00 24.54 C ATOM 2051 O ARG C 25 2.602 -7.141 -18.133 1.00 23.41 O ATOM 2052 CB ARG C 25 1.607 -8.813 -15.398 1.00 26.57 C ATOM 2053 CG ARG C 25 0.592 -9.442 -16.365 1.00 33.37 C ATOM 2054 CD ARG C 25 -0.156 -10.473 -15.521 1.00 38.97 C ATOM 2055 NE ARG C 25 -1.321 -11.201 -16.045 1.00 43.32 N ATOM 2056 CZ ARG C 25 -2.544 -10.683 -16.165 1.00 45.84 C ATOM 2057 NH1 ARG C 25 -2.778 -9.412 -15.838 1.00 46.10 N ATOM 2058 NH2 ARG C 25 -3.593 -11.499 -16.269 1.00 45.63 N ATOM 2059 HA ARG C 25 3.487 -8.694 -16.442 1.00 0.00 H ATOM 2060 HB2 ARG C 25 2.011 -9.630 -14.800 1.00 0.00 H ATOM 2061 HB3 ARG C 25 1.043 -8.138 -14.754 1.00 0.00 H ATOM 2062 HG2 ARG C 25 -0.094 -8.687 -16.748 1.00 0.00 H ATOM 2063 HG3 ARG C 25 1.102 -9.924 -17.199 1.00 0.00 H ATOM 2064 HD2 ARG C 25 -0.498 -9.949 -14.628 1.00 0.00 H ATOM 2065 HD3 ARG C 25 0.577 -11.229 -15.239 1.00 0.00 H ATOM 2066 HE ARG C 25 -1.182 -12.188 -16.343 1.00 0.00 H ATOM 2067 HH12 ARG C 25 -3.735 -9.018 -15.935 1.00 0.00 H ATOM 2068 HH11 ARG C 25 -2.003 -8.815 -15.486 1.00 0.00 H ATOM 2069 HH22 ARG C 25 -4.551 -11.105 -16.363 1.00 0.00 H ATOM 2070 HH21 ARG C 25 -3.453 -12.530 -16.256 1.00 0.00 H ATOM 2071 H ARG C 25 3.050 -7.430 -13.848 1.00 0.00 H ATOM 2072 N ILE C 26 1.931 -5.812 -16.445 1.00 23.38 N ATOM 2073 CA ILE C 26 1.511 -4.673 -17.292 1.00 21.97 C ATOM 2074 C ILE C 26 2.717 -4.112 -18.049 1.00 22.37 C ATOM 2075 O ILE C 26 2.635 -3.877 -19.257 1.00 22.85 O ATOM 2076 CB ILE C 26 0.813 -3.513 -16.456 1.00 21.36 C ATOM 2077 CG1 ILE C 26 -0.573 -3.958 -15.993 1.00 21.38 C ATOM 2078 CG2 ILE C 26 0.708 -2.198 -17.261 1.00 19.29 C ATOM 2079 CD1 ILE C 26 -1.187 -3.035 -14.956 1.00 21.17 C ATOM 2080 HA ILE C 26 0.772 -5.054 -17.996 1.00 0.00 H ATOM 2081 HB ILE C 26 1.440 -3.315 -15.587 1.00 0.00 H ATOM 2082 HG12 ILE C 26 -1.233 -3.992 -16.860 1.00 0.00 H ATOM 2083 HG13 ILE C 26 -0.490 -4.956 -15.562 1.00 0.00 H ATOM 2084 HD11 ILE C 26 -0.543 -2.999 -14.077 1.00 0.00 H ATOM 2085 HD12 ILE C 26 -1.287 -2.034 -15.376 1.00 0.00 H ATOM 2086 HD13 ILE C 26 -2.170 -3.412 -14.673 1.00 0.00 H ATOM 2087 HG21 ILE C 26 1.707 -1.863 -17.539 1.00 0.00 H ATOM 2088 HG22 ILE C 26 0.118 -2.371 -18.161 1.00 0.00 H ATOM 2089 HG23 ILE C 26 0.225 -1.436 -16.649 1.00 0.00 H ATOM 2090 H ILE C 26 1.843 -5.717 -15.413 1.00 0.00 H ATOM 2091 N LYS C 27 3.841 -3.974 -17.337 1.00 22.19 N ATOM 2092 CA LYS C 27 5.102 -3.463 -17.895 1.00 23.76 C ATOM 2093 C LYS C 27 5.635 -4.281 -19.061 1.00 23.87 C ATOM 2094 O LYS C 27 6.103 -3.717 -20.053 1.00 25.19 O ATOM 2095 CB LYS C 27 6.191 -3.370 -16.821 1.00 24.87 C ATOM 2096 CG LYS C 27 6.133 -2.115 -15.971 1.00 29.06 C ATOM 2097 CD LYS C 27 7.275 -2.096 -14.954 1.00 33.36 C ATOM 2098 CE LYS C 27 8.196 -0.889 -15.141 1.00 35.87 C ATOM 2099 NZ LYS C 27 7.551 0.427 -14.816 1.00 40.68 N ATOM 2100 HA LYS C 27 4.857 -2.470 -18.273 1.00 0.00 H ATOM 2101 HB2 LYS C 27 6.093 -4.232 -16.162 1.00 0.00 H ATOM 2102 HB3 LYS C 27 7.161 -3.401 -17.317 1.00 0.00 H ATOM 2103 HG2 LYS C 27 6.215 -1.241 -16.617 1.00 0.00 H ATOM 2104 HG3 LYS C 27 5.181 -2.086 -15.441 1.00 0.00 H ATOM 2105 HD2 LYS C 27 6.851 -2.062 -13.950 1.00 0.00 H ATOM 2106 HD3 LYS C 27 7.862 -3.007 -15.068 1.00 0.00 H ATOM 2107 HE2 LYS C 27 8.522 -0.864 -16.181 1.00 0.00 H ATOM 2108 HE3 LYS C 27 9.063 -1.015 -14.493 1.00 0.00 H ATOM 2109 HZ1 LYS C 27 6.727 0.570 -15.434 1.00 0.00 H ATOM 2110 HZ2 LYS C 27 7.244 0.425 -13.822 1.00 0.00 H ATOM 2111 HZ3 LYS C 27 8.237 1.194 -14.967 1.00 0.00 H ATOM 2112 H LYS C 27 3.822 -4.243 -16.333 1.00 0.00 H ATOM 2113 N LYS C 28 5.508 -5.602 -18.958 1.00 24.20 N ATOM 2114 CA LYS C 28 5.970 -6.497 -20.012 1.00 25.75 C ATOM 2115 C LYS C 28 5.055 -6.453 -21.235 1.00 24.71 C ATOM 2116 O LYS C 28 5.553 -6.404 -22.363 1.00 24.26 O ATOM 2117 CB LYS C 28 6.133 -7.924 -19.493 1.00 27.19 C ATOM 2118 CG LYS C 28 7.115 -8.032 -18.323 1.00 33.24 C ATOM 2119 CD LYS C 28 7.926 -9.329 -18.259 1.00 36.85 C ATOM 2120 CE LYS C 28 7.085 -10.567 -18.001 1.00 38.97 C ATOM 2121 NZ LYS C 28 6.389 -11.008 -19.234 1.00 41.89 N ATOM 2122 HA LYS C 28 6.951 -6.143 -20.330 1.00 0.00 H ATOM 2123 HB2 LYS C 28 5.159 -8.286 -19.163 1.00 0.00 H ATOM 2124 HB3 LYS C 28 6.495 -8.550 -20.308 1.00 0.00 H ATOM 2125 HG2 LYS C 28 7.816 -7.201 -18.395 1.00 0.00 H ATOM 2126 HG3 LYS C 28 6.546 -7.946 -17.398 1.00 0.00 H ATOM 2127 HD2 LYS C 28 8.444 -9.457 -19.209 1.00 0.00 H ATOM 2128 HD3 LYS C 28 8.658 -9.237 -17.457 1.00 0.00 H ATOM 2129 HE2 LYS C 28 6.343 -10.340 -17.235 1.00 0.00 H ATOM 2130 HE3 LYS C 28 7.733 -11.371 -17.651 1.00 0.00 H ATOM 2131 HZ1 LYS C 28 5.766 -10.246 -19.570 1.00 0.00 H ATOM 2132 HZ2 LYS C 28 7.092 -11.231 -19.967 1.00 0.00 H ATOM 2133 HZ3 LYS C 28 5.823 -11.855 -19.027 1.00 0.00 H ATOM 2134 H LYS C 28 5.069 -6.005 -18.106 1.00 0.00 H ATOM 2135 N LEU C 29 3.735 -6.394 -21.009 1.00 22.74 N ATOM 2136 CA LEU C 29 2.763 -6.321 -22.108 1.00 23.50 C ATOM 2137 C LEU C 29 2.885 -4.966 -22.808 1.00 24.24 C ATOM 2138 O LEU C 29 2.838 -4.891 -24.041 1.00 23.62 O ATOM 2139 CB LEU C 29 1.321 -6.570 -21.618 1.00 23.54 C ATOM 2140 CG LEU C 29 0.156 -6.575 -22.635 1.00 22.13 C ATOM 2141 CD1 LEU C 29 0.446 -7.449 -23.866 1.00 21.39 C ATOM 2142 CD2 LEU C 29 -1.125 -7.024 -21.948 1.00 20.68 C ATOM 2143 HA LEU C 29 2.990 -7.113 -22.822 1.00 0.00 H ATOM 2144 HB2 LEU C 29 1.317 -7.544 -21.128 1.00 0.00 H ATOM 2145 HB3 LEU C 29 1.098 -5.795 -20.885 1.00 0.00 H ATOM 2146 HG LEU C 29 0.037 -5.555 -23.001 1.00 0.00 H ATOM 2147 HD21 LEU C 29 -0.989 -8.029 -21.550 1.00 0.00 H ATOM 2148 HD22 LEU C 29 -1.359 -6.338 -21.134 1.00 0.00 H ATOM 2149 HD23 LEU C 29 -1.942 -7.025 -22.670 1.00 0.00 H ATOM 2150 HD11 LEU C 29 1.333 -7.073 -24.376 1.00 0.00 H ATOM 2151 HD12 LEU C 29 0.616 -8.478 -23.548 1.00 0.00 H ATOM 2152 HD13 LEU C 29 -0.407 -7.414 -24.544 1.00 0.00 H ATOM 2153 H LEU C 29 3.389 -6.400 -20.028 1.00 0.00 H ATOM 2154 N LEU C 30 3.144 -3.922 -22.017 1.00 24.55 N ATOM 2155 CA LEU C 30 3.315 -2.572 -22.543 1.00 23.31 C ATOM 2156 C LEU C 30 4.565 -2.498 -23.418 1.00 23.93 C ATOM 2157 O LEU C 30 4.550 -1.828 -24.451 1.00 24.20 O ATOM 2158 CB LEU C 30 3.362 -1.541 -21.408 1.00 22.85 C ATOM 2159 CG LEU C 30 3.483 -0.043 -21.722 1.00 22.47 C ATOM 2160 CD1 LEU C 30 2.427 0.445 -22.709 1.00 21.38 C ATOM 2161 CD2 LEU C 30 3.416 0.746 -20.437 1.00 21.40 C ATOM 2162 HA LEU C 30 2.453 -2.331 -23.165 1.00 0.00 H ATOM 2163 HB2 LEU C 30 2.445 -1.667 -20.833 1.00 0.00 H ATOM 2164 HB3 LEU C 30 4.218 -1.800 -20.785 1.00 0.00 H ATOM 2165 HG LEU C 30 4.447 0.114 -22.205 1.00 0.00 H ATOM 2166 HD21 LEU C 30 2.464 0.553 -19.943 1.00 0.00 H ATOM 2167 HD22 LEU C 30 4.234 0.443 -19.783 1.00 0.00 H ATOM 2168 HD23 LEU C 30 3.502 1.809 -20.660 1.00 0.00 H ATOM 2169 HD11 LEU C 30 2.529 -0.100 -23.647 1.00 0.00 H ATOM 2170 HD12 LEU C 30 1.435 0.272 -22.293 1.00 0.00 H ATOM 2171 HD13 LEU C 30 2.566 1.511 -22.890 1.00 0.00 H ATOM 2172 H LEU C 30 3.227 -4.076 -20.992 1.00 0.00 H ATOM 2173 N GLN C 31 5.615 -3.232 -23.036 1.00 24.52 N ATOM 2174 CA GLN C 31 6.861 -3.266 -23.810 1.00 24.78 C ATOM 2175 C GLN C 31 6.707 -4.070 -25.098 1.00 23.54 C ATOM 2176 O GLN C 31 7.423 -3.832 -26.069 1.00 23.50 O ATOM 2177 CB GLN C 31 8.031 -3.808 -22.982 1.00 27.18 C ATOM 2178 CG GLN C 31 8.570 -2.845 -21.903 1.00 31.56 C ATOM 2179 CD GLN C 31 9.023 -1.478 -22.433 1.00 34.46 C ATOM 2180 OE1 GLN C 31 8.670 -0.441 -21.866 1.00 37.32 O ATOM 2181 NE2 GLN C 31 9.809 -1.475 -23.508 1.00 33.34 N ATOM 2182 HA GLN C 31 7.086 -2.234 -24.079 1.00 0.00 H ATOM 2183 HB2 GLN C 31 7.700 -4.720 -22.486 1.00 0.00 H ATOM 2184 HB3 GLN C 31 8.848 -4.043 -23.664 1.00 0.00 H ATOM 2185 HG2 GLN C 31 7.781 -2.681 -21.169 1.00 0.00 H ATOM 2186 HG3 GLN C 31 9.422 -3.321 -21.418 1.00 0.00 H ATOM 2187 HE22 GLN C 31 10.082 -2.373 -23.955 1.00 0.00 H ATOM 2188 HE21 GLN C 31 10.149 -0.574 -23.901 1.00 0.00 H ATOM 2189 H GLN C 31 5.547 -3.795 -22.165 1.00 0.00 H ATOM 2190 N LEU C 32 5.753 -5.002 -25.102 1.00 23.04 N ATOM 2191 CA LEU C 32 5.465 -5.814 -26.284 1.00 23.41 C ATOM 2192 C LEU C 32 4.711 -4.960 -27.304 1.00 22.99 C ATOM 2193 O LEU C 32 5.012 -5.009 -28.496 1.00 23.38 O ATOM 2194 CB LEU C 32 4.642 -7.060 -25.925 1.00 22.24 C ATOM 2195 CG LEU C 32 5.340 -8.271 -25.294 1.00 22.99 C ATOM 2196 CD1 LEU C 32 4.310 -9.295 -24.873 1.00 22.43 C ATOM 2197 CD2 LEU C 32 6.335 -8.889 -26.254 1.00 24.84 C ATOM 2198 HA LEU C 32 6.408 -6.157 -26.709 1.00 0.00 H ATOM 2199 HB2 LEU C 32 3.870 -6.739 -25.226 1.00 0.00 H ATOM 2200 HB3 LEU C 32 4.175 -7.408 -26.846 1.00 0.00 H ATOM 2201 HG LEU C 32 5.889 -7.932 -24.415 1.00 0.00 H ATOM 2202 HD21 LEU C 32 5.814 -9.216 -27.154 1.00 0.00 H ATOM 2203 HD22 LEU C 32 7.091 -8.149 -26.518 1.00 0.00 H ATOM 2204 HD23 LEU C 32 6.814 -9.745 -25.778 1.00 0.00 H ATOM 2205 HD11 LEU C 32 3.633 -8.849 -24.145 1.00 0.00 H ATOM 2206 HD12 LEU C 32 3.744 -9.619 -25.746 1.00 0.00 H ATOM 2207 HD13 LEU C 32 4.813 -10.152 -24.426 1.00 0.00 H ATOM 2208 H LEU C 32 5.196 -5.156 -24.237 1.00 0.00 H ATOM 2209 N THR C 33 3.786 -4.128 -26.820 1.00 20.47 N ATOM 2210 CA THR C 33 3.007 -3.250 -27.697 1.00 20.52 C ATOM 2211 C THR C 33 3.867 -2.156 -28.352 1.00 19.74 C ATOM 2212 O THR C 33 3.659 -1.830 -29.519 1.00 19.75 O ATOM 2213 CB THR C 33 1.815 -2.611 -26.963 1.00 19.80 C ATOM 2214 OG1 THR C 33 2.269 -1.861 -25.830 1.00 21.10 O ATOM 2215 CG2 THR C 33 0.806 -3.667 -26.526 1.00 19.04 C ATOM 2216 HA THR C 33 2.622 -3.893 -28.489 1.00 0.00 H ATOM 2217 HB THR C 33 1.318 -1.935 -27.658 1.00 0.00 H ATOM 2218 HG1 THR C 33 2.746 -2.464 -25.206 1.00 0.00 H ATOM 2219 HG23 THR C 33 0.470 -4.229 -27.397 1.00 0.00 H ATOM 2220 HG21 THR C 33 1.277 -4.345 -25.814 1.00 0.00 H ATOM 2221 HG22 THR C 33 -0.048 -3.179 -26.055 1.00 0.00 H ATOM 2222 H THR C 33 3.614 -4.102 -25.795 1.00 0.00 H ATOM 2223 N VAL C 34 4.848 -1.636 -27.603 1.00 19.63 N ATOM 2224 CA VAL C 34 5.798 -0.608 -28.071 1.00 18.69 C ATOM 2225 C VAL C 34 6.630 -1.201 -29.219 1.00 18.69 C ATOM 2226 O VAL C 34 6.866 -0.536 -30.228 1.00 19.53 O ATOM 2227 CB VAL C 34 6.746 -0.134 -26.897 1.00 19.79 C ATOM 2228 CG1 VAL C 34 7.898 0.752 -27.405 1.00 19.63 C ATOM 2229 CG2 VAL C 34 5.946 0.641 -25.851 1.00 17.99 C ATOM 2230 HA VAL C 34 5.244 0.264 -28.419 1.00 0.00 H ATOM 2231 HB VAL C 34 7.176 -1.032 -26.453 1.00 0.00 H ATOM 2232 HG11 VAL C 34 8.498 0.190 -28.121 1.00 0.00 H ATOM 2233 HG12 VAL C 34 7.487 1.638 -27.889 1.00 0.00 H ATOM 2234 HG13 VAL C 34 8.522 1.053 -26.563 1.00 0.00 H ATOM 2235 HG21 VAL C 34 5.491 1.515 -26.317 1.00 0.00 H ATOM 2236 HG22 VAL C 34 5.166 -0.002 -25.443 1.00 0.00 H ATOM 2237 HG23 VAL C 34 6.612 0.961 -25.050 1.00 0.00 H ATOM 2238 H VAL C 34 4.947 -1.980 -26.626 1.00 0.00 H ATOM 2239 N TRP C 35 7.027 -2.466 -29.056 1.00 18.41 N ATOM 2240 CA TRP C 35 7.801 -3.213 -30.050 1.00 18.23 C ATOM 2241 C TRP C 35 6.914 -3.429 -31.289 1.00 17.39 C ATOM 2242 O TRP C 35 7.383 -3.292 -32.414 1.00 16.77 O ATOM 2243 CB TRP C 35 8.260 -4.568 -29.452 1.00 20.28 C ATOM 2244 CG TRP C 35 9.079 -5.472 -30.377 1.00 20.86 C ATOM 2245 CD1 TRP C 35 10.441 -5.505 -30.491 1.00 22.69 C ATOM 2246 CD2 TRP C 35 8.575 -6.419 -31.345 1.00 20.88 C ATOM 2247 NE1 TRP C 35 10.819 -6.394 -31.473 1.00 23.64 N ATOM 2248 CE2 TRP C 35 9.705 -6.965 -32.013 1.00 22.53 C ATOM 2249 CE3 TRP C 35 7.282 -6.843 -31.717 1.00 20.73 C ATOM 2250 CZ2 TRP C 35 9.573 -7.929 -33.050 1.00 22.59 C ATOM 2251 CZ3 TRP C 35 7.151 -7.800 -32.750 1.00 20.91 C ATOM 2252 CH2 TRP C 35 8.299 -8.330 -33.404 1.00 22.21 C ATOM 2253 HA TRP C 35 8.694 -2.657 -30.336 1.00 0.00 H ATOM 2254 HB2 TRP C 35 8.867 -4.355 -28.572 1.00 0.00 H ATOM 2255 HB3 TRP C 35 7.368 -5.119 -29.152 1.00 0.00 H ATOM 2256 HE1 TRP C 35 11.799 -6.597 -31.757 1.00 0.00 H ATOM 2257 HD1 TRP C 35 11.130 -4.912 -29.890 1.00 0.00 H ATOM 2258 HZ2 TRP C 35 10.450 -8.339 -33.550 1.00 0.00 H ATOM 2259 HH2 TRP C 35 8.171 -9.065 -34.198 1.00 0.00 H ATOM 2260 HZ3 TRP C 35 6.158 -8.136 -33.049 1.00 0.00 H ATOM 2261 HE3 TRP C 35 6.401 -6.441 -31.218 1.00 0.00 H ATOM 2262 H TRP C 35 6.771 -2.949 -28.171 1.00 0.00 H ATOM 2263 N GLY C 36 5.644 -3.778 -31.054 1.00 16.97 N ATOM 2264 CA GLY C 36 4.678 -4.017 -32.120 1.00 17.63 C ATOM 2265 C GLY C 36 4.392 -2.811 -33.005 1.00 16.68 C ATOM 2266 O GLY C 36 4.360 -2.936 -34.228 1.00 14.81 O ATOM 2267 HA3 GLY C 36 3.740 -4.333 -31.663 1.00 0.00 H ATOM 2268 HA2 GLY C 36 5.061 -4.818 -32.752 1.00 0.00 H ATOM 2269 H GLY C 36 5.332 -3.884 -30.068 1.00 0.00 H ATOM 2270 N ILE C 37 4.218 -1.642 -32.386 1.00 16.66 N ATOM 2271 CA ILE C 37 3.970 -0.386 -33.107 1.00 17.40 C ATOM 2272 C ILE C 37 5.213 -0.021 -33.942 1.00 18.61 C ATOM 2273 O ILE C 37 5.087 0.488 -35.058 1.00 18.43 O ATOM 2274 CB ILE C 37 3.610 0.760 -32.111 1.00 17.91 C ATOM 2275 CG1 ILE C 37 2.251 0.467 -31.478 1.00 18.18 C ATOM 2276 CG2 ILE C 37 3.538 2.135 -32.801 1.00 17.37 C ATOM 2277 CD1 ILE C 37 2.043 1.165 -30.185 1.00 17.05 C ATOM 2278 HA ILE C 37 3.121 -0.519 -33.777 1.00 0.00 H ATOM 2279 HB ILE C 37 4.399 0.797 -31.360 1.00 0.00 H ATOM 2280 HG12 ILE C 37 1.471 0.782 -32.171 1.00 0.00 H ATOM 2281 HG13 ILE C 37 2.172 -0.607 -31.308 1.00 0.00 H ATOM 2282 HD11 ILE C 37 2.810 0.852 -29.477 1.00 0.00 H ATOM 2283 HD12 ILE C 37 2.108 2.242 -30.340 1.00 0.00 H ATOM 2284 HD13 ILE C 37 1.058 0.912 -29.791 1.00 0.00 H ATOM 2285 HG21 ILE C 37 4.505 2.367 -33.248 1.00 0.00 H ATOM 2286 HG22 ILE C 37 2.774 2.111 -33.578 1.00 0.00 H ATOM 2287 HG23 ILE C 37 3.284 2.897 -32.064 1.00 0.00 H ATOM 2288 H ILE C 37 4.260 -1.619 -31.347 1.00 0.00 H ATOM 2289 N LYS C 38 6.393 -0.378 -33.424 1.00 18.79 N ATOM 2290 CA LYS C 38 7.679 -0.115 -34.083 1.00 20.95 C ATOM 2291 C LYS C 38 7.863 -0.901 -35.374 1.00 19.37 C ATOM 2292 O LYS C 38 8.348 -0.351 -36.361 1.00 18.97 O ATOM 2293 CB LYS C 38 8.840 -0.406 -33.122 1.00 21.45 C ATOM 2294 CG LYS C 38 10.176 0.227 -33.508 1.00 24.21 C ATOM 2295 CD LYS C 38 11.301 -0.254 -32.589 1.00 28.36 C ATOM 2296 CE LYS C 38 12.662 0.292 -33.010 1.00 30.33 C ATOM 2297 NZ LYS C 38 12.745 1.767 -32.864 1.00 33.22 N ATOM 2298 HA LYS C 38 7.677 0.941 -34.354 1.00 0.00 H ATOM 2299 HB2 LYS C 38 8.563 -0.035 -32.135 1.00 0.00 H ATOM 2300 HB3 LYS C 38 8.979 -1.486 -33.077 1.00 0.00 H ATOM 2301 HG2 LYS C 38 10.415 -0.045 -34.536 1.00 0.00 H ATOM 2302 HG3 LYS C 38 10.092 1.311 -33.431 1.00 0.00 H ATOM 2303 HD2 LYS C 38 11.089 0.076 -31.572 1.00 0.00 H ATOM 2304 HD3 LYS C 38 11.336 -1.343 -32.616 1.00 0.00 H ATOM 2305 HE2 LYS C 38 12.837 0.032 -34.054 1.00 0.00 H ATOM 2306 HE3 LYS C 38 13.432 -0.166 -32.389 1.00 0.00 H ATOM 2307 HZ1 LYS C 38 12.019 2.214 -33.459 1.00 0.00 H ATOM 2308 HZ2 LYS C 38 12.587 2.025 -31.869 1.00 0.00 H ATOM 2309 HZ3 LYS C 38 13.687 2.091 -33.162 1.00 0.00 H ATOM 2310 H LYS C 38 6.401 -0.868 -32.506 1.00 0.00 H ATOM 2311 N GLN C 39 7.443 -2.168 -35.366 1.00 19.00 N ATOM 2312 CA GLN C 39 7.553 -3.030 -36.547 1.00 20.53 C ATOM 2313 C GLN C 39 6.548 -2.632 -37.605 1.00 20.01 C ATOM 2314 O GLN C 39 6.862 -2.678 -38.795 1.00 21.27 O ATOM 2315 CB GLN C 39 7.345 -4.508 -36.210 1.00 21.05 C ATOM 2316 CG GLN C 39 8.111 -5.031 -35.021 1.00 23.10 C ATOM 2317 CD GLN C 39 9.598 -4.734 -35.039 1.00 26.07 C ATOM 2318 OE1 GLN C 39 10.100 -3.993 -34.189 1.00 29.91 O ATOM 2319 NE2 GLN C 39 10.313 -5.328 -35.985 1.00 27.98 N ATOM 2320 HA GLN C 39 8.567 -2.897 -36.925 1.00 0.00 H ATOM 2321 HB2 GLN C 39 6.283 -4.659 -36.015 1.00 0.00 H ATOM 2322 HB3 GLN C 39 7.641 -5.093 -37.081 1.00 0.00 H ATOM 2323 HG2 GLN C 39 7.687 -4.584 -34.122 1.00 0.00 H ATOM 2324 HG3 GLN C 39 7.982 -6.113 -34.984 1.00 0.00 H ATOM 2325 HE22 GLN C 39 9.846 -5.944 -36.680 1.00 0.00 H ATOM 2326 HE21 GLN C 39 11.341 -5.177 -36.032 1.00 0.00 H ATOM 2327 H GLN C 39 7.025 -2.555 -34.496 1.00 0.00 H ATOM 2328 N LEU C 40 5.346 -2.248 -37.161 1.00 19.38 N ATOM 2329 CA LEU C 40 4.278 -1.818 -38.066 1.00 19.99 C ATOM 2330 C LEU C 40 4.647 -0.518 -38.752 1.00 19.65 C ATOM 2331 O LEU C 40 4.490 -0.412 -39.966 1.00 21.31 O ATOM 2332 CB LEU C 40 2.930 -1.658 -37.349 1.00 18.54 C ATOM 2333 CG LEU C 40 2.177 -2.904 -36.872 1.00 19.17 C ATOM 2334 CD1 LEU C 40 0.785 -2.495 -36.420 1.00 16.81 C ATOM 2335 CD2 LEU C 40 2.099 -3.951 -37.973 1.00 20.51 C ATOM 2336 HA LEU C 40 4.166 -2.606 -38.811 1.00 0.00 H ATOM 2337 HB2 LEU C 40 3.110 -1.040 -36.470 1.00 0.00 H ATOM 2338 HB3 LEU C 40 2.267 -1.129 -38.034 1.00 0.00 H ATOM 2339 HG LEU C 40 2.716 -3.351 -36.036 1.00 0.00 H ATOM 2340 HD21 LEU C 40 1.575 -3.534 -38.833 1.00 0.00 H ATOM 2341 HD22 LEU C 40 3.107 -4.243 -38.267 1.00 0.00 H ATOM 2342 HD23 LEU C 40 1.559 -4.824 -37.605 1.00 0.00 H ATOM 2343 HD11 LEU C 40 0.866 -1.777 -35.603 1.00 0.00 H ATOM 2344 HD12 LEU C 40 0.253 -2.039 -37.255 1.00 0.00 H ATOM 2345 HD13 LEU C 40 0.242 -3.376 -36.079 1.00 0.00 H ATOM 2346 H LEU C 40 5.164 -2.255 -36.137 1.00 0.00 H ATOM 2347 N GLN C 41 5.209 0.428 -37.990 1.00 18.79 N ATOM 2348 CA GLN C 41 5.634 1.722 -38.533 1.00 20.51 C ATOM 2349 C GLN C 41 6.768 1.540 -39.541 1.00 21.20 C ATOM 2350 O GLN C 41 6.720 2.117 -40.623 1.00 20.98 O ATOM 2351 CB GLN C 41 6.098 2.673 -37.426 1.00 19.45 C ATOM 2352 CG GLN C 41 6.309 4.108 -37.908 1.00 19.58 C ATOM 2353 CD GLN C 41 7.196 4.932 -37.004 1.00 20.31 C ATOM 2354 OE1 GLN C 41 8.026 4.404 -36.261 1.00 21.99 O ATOM 2355 NE2 GLN C 41 7.038 6.245 -37.078 1.00 21.89 N ATOM 2356 HA GLN C 41 4.768 2.159 -39.030 1.00 0.00 H ATOM 2357 HB2 GLN C 41 5.345 2.680 -36.638 1.00 0.00 H ATOM 2358 HB3 GLN C 41 7.040 2.301 -37.023 1.00 0.00 H ATOM 2359 HG2 GLN C 41 6.764 4.075 -38.898 1.00 0.00 H ATOM 2360 HG3 GLN C 41 5.336 4.596 -37.972 1.00 0.00 H ATOM 2361 HE22 GLN C 41 6.325 6.648 -37.719 1.00 0.00 H ATOM 2362 HE21 GLN C 41 7.627 6.873 -36.495 1.00 0.00 H ATOM 2363 H GLN C 41 5.349 0.239 -36.977 1.00 0.00 H ATOM 2364 N ALA C 42 7.747 0.703 -39.185 1.00 21.97 N ATOM 2365 CA ALA C 42 8.910 0.407 -40.034 1.00 24.93 C ATOM 2366 C ALA C 42 8.503 -0.237 -41.359 1.00 25.66 C ATOM 2367 O ALA C 42 9.100 0.051 -42.397 1.00 26.84 O ATOM 2368 CB ALA C 42 9.896 -0.487 -39.295 1.00 25.69 C ATOM 2369 HA ALA C 42 9.392 1.357 -40.265 1.00 0.00 H ATOM 2370 HB1 ALA C 42 10.236 0.019 -38.391 1.00 0.00 H ATOM 2371 HB2 ALA C 42 9.405 -1.423 -39.027 1.00 0.00 H ATOM 2372 HB3 ALA C 42 10.750 -0.695 -39.940 1.00 0.00 H ATOM 2373 H ALA C 42 7.683 0.236 -38.258 1.00 0.00 H ATOM 2374 N ARG C 43 7.452 -1.060 -41.315 1.00 27.35 N ATOM 2375 CA ARG C 43 6.920 -1.742 -42.497 1.00 29.23 C ATOM 2376 C ARG C 43 6.144 -0.800 -43.426 1.00 29.77 C ATOM 2377 O ARG C 43 6.301 -0.893 -44.644 1.00 31.26 O ATOM 2378 CB ARG C 43 6.027 -2.922 -42.094 1.00 31.18 C ATOM 2379 CG ARG C 43 5.469 -3.729 -43.271 1.00 34.63 C ATOM 2380 CD ARG C 43 4.601 -4.875 -42.811 1.00 40.69 C ATOM 2381 NE ARG C 43 5.348 -5.874 -42.052 1.00 45.24 N ATOM 2382 CZ ARG C 43 5.768 -7.034 -42.548 1.00 47.82 C ATOM 2383 NH1 ARG C 43 5.517 -7.363 -43.813 1.00 50.14 N ATOM 2384 NH2 ARG C 43 6.450 -7.869 -41.777 1.00 49.06 N ATOM 2385 HA ARG C 43 7.784 -2.112 -43.050 1.00 0.00 H ATOM 2386 HB2 ARG C 43 6.613 -3.594 -41.468 1.00 0.00 H ATOM 2387 HB3 ARG C 43 5.187 -2.532 -41.519 1.00 0.00 H ATOM 2388 HG2 ARG C 43 4.874 -3.068 -43.901 1.00 0.00 H ATOM 2389 HG3 ARG C 43 6.302 -4.128 -43.850 1.00 0.00 H ATOM 2390 HD2 ARG C 43 4.164 -5.356 -43.686 1.00 0.00 H ATOM 2391 HD3 ARG C 43 3.805 -4.479 -42.180 1.00 0.00 H ATOM 2392 HE ARG C 43 5.566 -5.664 -41.057 1.00 0.00 H ATOM 2393 HH12 ARG C 43 5.851 -8.273 -44.190 1.00 0.00 H ATOM 2394 HH11 ARG C 43 4.987 -6.710 -44.425 1.00 0.00 H ATOM 2395 HH22 ARG C 43 6.781 -8.778 -42.160 1.00 0.00 H ATOM 2396 HH21 ARG C 43 6.654 -7.616 -40.789 1.00 0.00 H ATOM 2397 H ARG C 43 6.990 -1.224 -40.398 1.00 0.00 H ATOM 2398 N ILE C 44 5.340 0.110 -42.863 1.00 29.11 N ATOM 2399 CA ILE C 44 4.551 1.034 -43.687 1.00 30.52 C ATOM 2400 C ILE C 44 5.311 2.249 -44.228 1.00 30.30 C ATOM 2401 O ILE C 44 4.849 2.903 -45.170 1.00 32.75 O ATOM 2402 CB ILE C 44 3.172 1.440 -43.036 1.00 31.96 C ATOM 2403 CG1 ILE C 44 3.308 2.566 -42.012 1.00 34.03 C ATOM 2404 CG2 ILE C 44 2.508 0.224 -42.408 1.00 30.68 C ATOM 2405 CD1 ILE C 44 1.972 3.053 -41.494 1.00 35.89 C ATOM 2406 HA ILE C 44 4.324 0.435 -44.569 1.00 0.00 H ATOM 2407 HB ILE C 44 2.542 1.823 -43.839 1.00 0.00 H ATOM 2408 HG12 ILE C 44 3.897 2.202 -41.170 1.00 0.00 H ATOM 2409 HG13 ILE C 44 3.826 3.403 -42.481 1.00 0.00 H ATOM 2410 HD11 ILE C 44 1.376 3.429 -42.326 1.00 0.00 H ATOM 2411 HD12 ILE C 44 1.447 2.227 -41.014 1.00 0.00 H ATOM 2412 HD13 ILE C 44 2.134 3.852 -40.771 1.00 0.00 H ATOM 2413 HG21 ILE C 44 2.332 -0.529 -43.176 1.00 0.00 H ATOM 2414 HG22 ILE C 44 3.160 -0.187 -41.637 1.00 0.00 H ATOM 2415 HG23 ILE C 44 1.558 0.520 -41.963 1.00 0.00 H ATOM 2416 H ILE C 44 5.273 0.163 -41.827 1.00 0.00 H ATOM 2417 N LEU C 45 6.463 2.544 -43.625 1.00 29.16 N ATOM 2418 CA LEU C 45 7.311 3.649 -44.065 1.00 27.31 C ATOM 2419 C LEU C 45 8.411 3.125 -44.980 1.00 26.44 C ATOM 2420 O LEU C 45 8.951 3.861 -45.803 1.00 25.60 O ATOM 2421 CB LEU C 45 7.933 4.387 -42.876 1.00 27.54 C ATOM 2422 CG LEU C 45 7.080 5.332 -42.026 1.00 25.30 C ATOM 2423 CD1 LEU C 45 7.980 5.948 -40.972 1.00 25.50 C ATOM 2424 CD2 LEU C 45 6.444 6.428 -42.873 1.00 24.96 C ATOM 2425 HA LEU C 45 6.685 4.356 -44.610 1.00 0.00 H ATOM 2426 HB2 LEU C 45 8.323 3.624 -42.202 1.00 0.00 H ATOM 2427 HB3 LEU C 45 8.759 4.979 -43.271 1.00 0.00 H ATOM 2428 HG LEU C 45 6.268 4.770 -41.565 1.00 0.00 H ATOM 2429 HD21 LEU C 45 7.227 7.012 -43.357 1.00 0.00 H ATOM 2430 HD22 LEU C 45 5.805 5.975 -43.631 1.00 0.00 H ATOM 2431 HD23 LEU C 45 5.847 7.078 -42.234 1.00 0.00 H ATOM 2432 HD11 LEU C 45 8.403 5.158 -40.351 1.00 0.00 H ATOM 2433 HD12 LEU C 45 8.784 6.499 -41.460 1.00 0.00 H ATOM 2434 HD13 LEU C 45 7.397 6.628 -40.350 1.00 0.00 H ATOM 2435 H LEU C 45 6.768 1.968 -42.814 1.00 0.00 H TER 2436 LEU C 45 HETATM 2437 O HOH 1 -3.064 6.241 -19.445 1.00 21.70 O HETATM 2438 O HOH 2 -6.823 7.183 -36.333 1.00 16.57 O HETATM 2439 O HOH 3 -6.928 -1.257 -46.872 1.00 17.08 O HETATM 2440 O HOH 4 -4.011 10.290 -28.881 1.00 30.56 O HETATM 2441 O HOH 5 4.053 7.531 9.050 1.00 22.89 O HETATM 2442 O HOH 6 8.348 9.165 -17.586 1.00 36.71 O HETATM 2443 O HOH 7 -1.283 9.876 -39.861 1.00 25.62 O HETATM 2444 O HOH 8 7.141 7.052 -19.099 1.00 20.52 O HETATM 2445 O HOH 9 6.694 10.445 -21.872 1.00 34.30 O HETATM 2446 O HOH 10 -6.937 9.285 -42.479 1.00 27.61 O HETATM 2447 O HOH 11 5.573 9.930 -39.933 1.00 36.62 O HETATM 2448 O HOH 12 -0.191 10.436 -18.494 1.00 45.99 O HETATM 2449 O HOH 13 6.476 11.272 -5.798 1.00 31.94 O HETATM 2450 O HOH 14 2.143 6.678 16.181 1.00 38.51 O HETATM 2451 O HOH 15 16.161 1.491 -7.155 1.00 47.91 O HETATM 2452 O HOH 16 6.543 8.608 11.139 1.00 42.75 O HETATM 2453 O HOH 17 8.052 13.699 -17.356 1.00 47.30 O HETATM 2454 O HOH 18 8.546 12.042 -15.410 1.00 51.28 O HETATM 2455 O HOH 19 9.380 3.963 -8.984 1.00 30.55 O HETATM 2456 O HOH 20 -2.526 11.884 -38.430 1.00 37.07 O HETATM 2457 O HOH 21 2.513 10.650 -22.729 1.00 22.32 O HETATM 2458 O HOH 22 11.442 2.203 8.779 1.00 47.52 O HETATM 2459 O HOH 23 1.585 10.189 -15.689 1.00 24.79 O HETATM 2460 O HOH 24 4.764 14.079 -20.364 1.00 41.28 O HETATM 2461 O HOH 25 9.425 -2.180 11.662 1.00 42.27 O HETATM 2462 O HOH 26 13.518 -2.030 -8.272 1.00 39.35 O HETATM 2463 O HOH 27 -6.128 9.028 -46.751 1.00 47.87 O HETATM 2464 O HOH 28 1.255 8.391 11.992 1.00 41.64 O HETATM 2465 O HOH 29 -6.164 9.039 -50.143 1.00 40.87 O HETATM 2466 O HOH 30 -8.114 6.959 -38.810 1.00 28.43 O HETATM 2467 O HOH 31 5.303 7.192 6.838 1.00 27.96 O HETATM 2468 O HOH 32 -3.273 12.768 -33.054 1.00 45.17 O HETATM 2469 O HOH 33 10.338 1.672 -2.086 1.00 31.45 O HETATM 2470 O HOH 34 12.375 4.769 10.947 1.00 30.25 O HETATM 2471 O HOH 35 -2.288 10.164 -26.380 1.00 36.64 O HETATM 2472 O HOH 36 6.398 9.914 -15.011 1.00 31.80 O HETATM 2473 O HOH 37 0.606 11.528 -21.079 1.00 32.31 O HETATM 2474 O HOH 38 8.822 4.535 15.991 1.00 30.74 O HETATM 2475 O HOH 39 1.233 7.364 -0.827 1.00 31.62 O HETATM 2476 O HOH 40 4.544 5.515 11.131 1.00 20.72 O HETATM 2477 O HOH 41 0.839 8.042 -9.815 1.00 28.25 O HETATM 2478 O HOH 42 -3.905 11.365 -35.816 1.00 42.29 O HETATM 2479 O HOH 43 2.092 7.782 -39.440 1.00 19.02 O HETATM 2480 O HOH 44 -8.563 8.881 -40.755 1.00 38.67 O HETATM 2481 O HOH 45 6.768 9.638 -12.224 1.00 39.70 O HETATM 2482 O HOH 46 -2.774 9.699 -18.689 1.00 40.32 O HETATM 2483 O HOH 47 4.860 7.018 -39.403 1.00 27.90 O HETATM 2484 O HOH 48 6.533 -2.295 -7.799 1.00 38.01 O HETATM 2485 O HOH 49 -8.146 9.942 -35.874 1.00 40.03 O HETATM 2486 O HOH 50 6.852 7.695 17.640 1.00 33.87 O HETATM 2487 O HOH 51 -5.077 0.312 -46.342 1.00 43.00 O HETATM 2488 O HOH 52 -5.490 11.126 -20.074 1.00 34.95 O HETATM 2489 O HOH 53 -2.500 10.781 -42.087 1.00 51.17 O HETATM 2490 O HOH 54 -2.525 12.460 -21.513 1.00 47.49 O HETATM 2491 O HOH 55 15.621 1.080 -0.043 1.00 55.24 O HETATM 2492 O HOH 56 10.849 -0.228 -0.562 1.00 40.98 O HETATM 2493 O HOH 57 12.317 2.760 -3.534 1.00 29.61 O HETATM 2494 O HOH 58 12.863 1.908 0.975 1.00 41.56 O HETATM 2495 O HOH 59 9.739 -0.643 1.690 1.00 36.00 O HETATM 2496 O HOH 60 -3.592 12.560 -30.360 1.00 41.91 O HETATM 2497 O HOH 61 11.077 -3.017 -8.901 1.00 41.95 O HETATM 2498 O HOH 62 -3.617 13.895 -45.931 1.00 43.24 O HETATM 2499 O HOH 63 0.755 11.817 -5.030 1.00 44.98 O HETATM 2500 O HOH 64 12.848 4.872 -14.596 1.00 61.60 O HETATM 2501 O HOH 65 -3.941 12.790 -43.746 1.00 48.03 O HETATM 2502 O HOH 66 -0.564 13.298 -41.891 1.00 56.62 O HETATM 2503 O HOH 67 -7.581 11.499 -37.773 1.00 36.03 O HETATM 2504 O HOH 68 13.349 0.395 -7.987 1.00 59.65 O HETATM 2505 O HOH 69 3.830 9.912 -8.713 1.00 39.45 O HETATM 2506 O HOH 70 4.003 11.197 -45.423 1.00 41.68 O HETATM 2507 O HOH 71 1.397 11.420 -25.066 1.00 40.85 O HETATM 2508 O HOH 72 -10.598 8.967 -36.935 1.00 32.11 O HETATM 2509 O HOH 73 9.369 4.804 -11.949 1.00 39.68 O HETATM 2510 O HOH 74 -1.080 10.688 -44.354 1.00 43.27 O HETATM 2511 O HOH 75 13.666 0.226 -4.075 1.00 56.32 O HETATM 2512 O HOH 76 3.131 9.211 10.758 1.00 40.13 O HETATM 2513 O HOH 77 -0.784 12.266 -26.565 1.00 42.21 O HETATM 2514 O HOH 78 8.709 11.460 -19.509 1.00 40.33 O HETATM 2515 O HOH 79 1.942 13.817 -19.784 1.00 55.20 O HETATM 2516 O HOH 80 4.745 12.283 -22.455 1.00 46.20 O HETATM 2517 O HOH 81 -4.000 10.458 -48.532 1.00 64.54 O HETATM 2518 O HOH 82 2.581 9.372 16.789 1.00 55.62 O HETATM 2519 O HOH 83 10.659 -1.938 18.839 1.00 61.83 O HETATM 2520 O HOH 84 11.724 -1.625 16.591 1.00 48.22 O HETATM 2521 O HOH 85 11.856 -4.823 6.008 1.00 37.80 O HETATM 2522 O HOH 86 -6.300 9.488 -25.262 1.00 41.66 O HETATM 2523 O HOH 87 6.226 13.030 -24.788 1.00 37.02 O HETATM 2524 O HOH 88 7.420 12.040 -38.411 1.00 16.36 O HETATM 2525 O HOH 89 12.564 8.445 -35.034 1.00 39.31 O HETATM 2526 O HOH 90 2.521 12.552 -28.447 1.00 26.12 O HETATM 2527 O HOH 91 13.274 3.650 -28.119 1.00 21.72 O HETATM 2528 O HOH 92 10.544 2.186 -22.067 1.00 32.01 O HETATM 2529 O HOH 93 0.351 14.811 -28.147 1.00 42.63 O HETATM 2530 O HOH 94 2.380 19.155 -29.765 1.00 42.42 O HETATM 2531 O HOH 95 5.197 14.053 -27.417 1.00 28.78 O HETATM 2532 O HOH 96 4.097 21.616 -31.850 1.00 38.73 O HETATM 2533 O HOH 97 14.274 6.117 -34.549 1.00 35.67 O HETATM 2534 O HOH 98 8.963 18.794 -38.150 1.00 56.93 O HETATM 2535 O HOH 99 13.403 9.179 -43.348 1.00 25.81 O HETATM 2536 O HOH 100 7.361 7.777 -21.706 1.00 26.03 O HETATM 2537 O HOH 101 11.563 16.186 -34.641 1.00 28.58 O HETATM 2538 O HOH 102 3.015 10.437 -38.260 1.00 40.99 O HETATM 2539 O HOH 103 10.640 5.881 -37.819 1.00 19.65 O HETATM 2540 O HOH 104 8.593 5.066 -19.943 1.00 35.37 O HETATM 2541 O HOH 105 8.561 11.276 -24.058 1.00 27.45 O HETATM 2542 O HOH 106 11.810 17.602 -30.311 1.00 51.77 O HETATM 2543 O HOH 107 -0.458 14.944 -32.714 1.00 35.89 O HETATM 2544 O HOH 108 -1.104 18.994 -32.863 1.00 49.11 O HETATM 2545 O HOH 109 0.758 17.319 -37.273 1.00 52.76 O HETATM 2546 O HOH 110 11.699 17.711 -37.441 1.00 41.53 O HETATM 2547 O HOH 111 -3.873 -5.774 -19.445 1.00 21.70 O HETATM 2548 O HOH 112 -2.809 -9.500 -36.333 1.00 16.57 O HETATM 2549 O HOH 113 4.553 -5.371 -46.872 1.00 17.08 O HETATM 2550 O HOH 114 -6.906 -8.619 -28.881 1.00 30.56 O HETATM 2551 O HOH 115 -8.549 -0.256 9.050 1.00 22.89 O HETATM 2552 O HOH 116 -12.111 2.647 -17.586 1.00 36.71 O HETATM 2553 O HOH 117 -7.911 -6.049 -39.861 1.00 25.62 O HETATM 2554 O HOH 118 -9.678 2.658 -19.099 1.00 20.52 O HETATM 2555 O HOH 119 -12.393 0.575 -21.872 1.00 34.30 O HETATM 2556 O HOH 120 -4.572 -10.650 -42.479 1.00 27.61 O HETATM 2557 O HOH 121 -11.386 -0.139 -39.933 1.00 36.62 O HETATM 2558 O HOH 122 -8.942 -5.383 -18.494 1.00 45.99 O HETATM 2559 O HOH 123 -13.000 -0.028 -5.798 1.00 31.94 O HETATM 2560 O HOH 124 -6.855 -1.483 16.181 1.00 38.51 O HETATM 2561 O HOH 125 -9.372 13.250 -7.155 1.00 47.91 O HETATM 2562 O HOH 126 -10.726 1.362 11.139 1.00 42.75 O HETATM 2563 O HOH 127 -15.890 0.124 -17.356 1.00 47.30 O HETATM 2564 O HOH 128 -14.702 1.380 -15.410 1.00 51.28 O HETATM 2565 O HOH 129 -8.122 6.142 -8.984 1.00 30.55 O HETATM 2566 O HOH 130 -9.029 -8.130 -38.430 1.00 37.07 O HETATM 2567 O HOH 131 -10.480 -3.149 -22.729 1.00 22.32 O HETATM 2568 O HOH 132 -7.629 8.808 8.779 1.00 47.52 O HETATM 2569 O HOH 133 -9.616 -3.722 -15.689 1.00 24.79 O HETATM 2570 O HOH 134 -14.575 -2.914 -20.364 1.00 41.28 O HETATM 2571 O HOH 135 -2.825 9.252 11.662 1.00 42.27 O HETATM 2572 O HOH 136 -5.001 12.722 -8.272 1.00 39.35 O HETATM 2573 O HOH 137 -4.755 -9.821 -46.751 1.00 47.87 O HETATM 2574 O HOH 138 -7.894 -3.109 11.992 1.00 41.64 O HETATM 2575 O HOH 139 -4.746 -9.858 -50.143 1.00 40.87 O HETATM 2576 O HOH 140 -1.970 -10.506 -38.810 1.00 28.43 O HETATM 2577 O HOH 141 -8.880 0.997 6.838 1.00 27.96 O HETATM 2578 O HOH 142 -9.421 -9.219 -33.054 1.00 45.17 O HETATM 2579 O HOH 143 -6.617 8.117 -2.086 1.00 31.45 O HETATM 2580 O HOH 144 -10.318 8.333 10.947 1.00 30.25 O HETATM 2581 O HOH 145 -7.658 -7.064 -26.380 1.00 36.64 O HETATM 2582 O HOH 146 -11.785 0.584 -15.011 1.00 31.80 O HETATM 2583 O HOH 147 -10.287 -5.239 -21.079 1.00 32.31 O HETATM 2584 O HOH 148 -8.338 5.373 15.991 1.00 30.74 O HETATM 2585 O HOH 149 -6.994 -2.614 -0.827 1.00 31.62 O HETATM 2586 O HOH 150 -7.048 1.178 11.131 1.00 20.72 O HETATM 2587 O HOH 151 -7.384 -3.294 -9.815 1.00 28.25 O HETATM 2588 O HOH 152 -7.890 -9.064 -35.816 1.00 42.29 O HETATM 2589 O HOH 153 -7.785 -2.079 -39.440 1.00 19.02 O HETATM 2590 O HOH 154 -3.410 -11.856 -40.755 1.00 38.67 O HETATM 2591 O HOH 155 -11.731 1.042 -12.224 1.00 39.70 O HETATM 2592 O HOH 156 -7.013 -7.252 -18.689 1.00 40.32 O HETATM 2593 O HOH 157 -8.508 0.700 -39.403 1.00 27.90 O HETATM 2594 O HOH 158 -1.279 6.805 -7.799 1.00 38.01 O HETATM 2595 O HOH 159 -4.537 -12.026 -35.874 1.00 40.03 O HETATM 2596 O HOH 160 -10.090 2.087 17.640 1.00 33.87 O HETATM 2597 O HOH 161 2.268 -4.553 -46.342 1.00 43.00 O HETATM 2598 O HOH 162 -6.890 -10.318 -20.074 1.00 34.95 O HETATM 2599 O HOH 163 -8.087 -7.556 -42.087 1.00 51.17 O HETATM 2600 O HOH 164 -9.528 -8.417 -21.513 1.00 47.49 O HETATM 2601 O HOH 165 -8.746 12.988 -0.043 1.00 55.24 O HETATM 2602 O HOH 166 -5.227 9.509 -0.562 1.00 40.98 O HETATM 2603 O HOH 167 -8.549 9.287 -3.534 1.00 29.61 O HETATM 2604 O HOH 168 -8.084 10.186 0.975 1.00 41.56 O HETATM 2605 O HOH 169 -4.313 8.756 1.690 1.00 36.00 O HETATM 2606 O HOH 170 -9.081 -9.391 -30.360 1.00 41.91 O HETATM 2607 O HOH 171 -2.926 11.101 -8.901 1.00 41.95 O HETATM 2608 O HOH 172 -10.225 -10.080 -45.931 1.00 43.24 O HETATM 2609 O HOH 173 -10.611 -5.255 -5.030 1.00 44.98 O HETATM 2610 O HOH 174 -10.643 8.691 -14.596 1.00 61.60 O HETATM 2611 O HOH 175 -9.106 -9.808 -43.746 1.00 48.03 O HETATM 2612 O HOH 176 -11.234 -7.137 -41.891 1.00 56.62 O HETATM 2613 O HOH 177 -6.168 -12.315 -37.773 1.00 36.03 O HETATM 2614 O HOH 178 -7.017 11.363 -7.987 1.00 59.65 O HETATM 2615 O HOH 179 -10.499 -1.639 -8.713 1.00 39.45 O HETATM 2616 O HOH 180 -11.698 -2.132 -45.423 1.00 41.68 O HETATM 2617 O HOH 181 -10.588 -4.500 -25.066 1.00 40.85 O HETATM 2618 O HOH 182 -2.467 -13.662 -36.935 1.00 32.11 O HETATM 2619 O HOH 183 -8.845 5.712 -11.949 1.00 39.68 O HETATM 2620 O HOH 184 -8.716 -6.279 -44.354 1.00 43.27 O HETATM 2621 O HOH 185 -7.029 11.722 -4.075 1.00 56.32 O HETATM 2622 O HOH 186 -9.543 -1.894 10.758 1.00 40.13 O HETATM 2623 O HOH 187 -10.231 -6.812 -26.565 1.00 42.21 O HETATM 2624 O HOH 188 -14.279 1.812 -19.509 1.00 40.33 O HETATM 2625 O HOH 189 -12.937 -5.227 -19.784 1.00 55.20 O HETATM 2626 O HOH 190 -13.010 -2.032 -22.455 1.00 46.20 O HETATM 2627 O HOH 191 -7.057 -8.693 -48.532 1.00 64.54 O HETATM 2628 O HOH 192 -9.407 -2.451 16.789 1.00 55.62 O HETATM 2629 O HOH 193 -3.651 10.200 18.839 1.00 61.83 O HETATM 2630 O HOH 194 -4.455 10.966 16.591 1.00 48.22 O HETATM 2631 O HOH 195 -1.751 12.679 6.008 1.00 37.80 O HETATM 2632 O HOH 196 -5.067 -10.200 -25.262 1.00 41.66 O HETATM 2633 O HOH 197 -14.397 -1.123 -24.788 1.00 37.02 O HETATM 2634 O HOH 198 -14.137 0.406 -38.411 1.00 16.36 O HETATM 2635 O HOH 199 -13.596 6.658 -35.034 1.00 39.31 O HETATM 2636 O HOH 200 -12.131 -4.093 -28.447 1.00 26.12 O HETATM 2637 O HOH 201 -9.798 9.671 -28.119 1.00 21.72 O HETATM 2638 O HOH 202 -7.165 8.038 -22.067 1.00 32.01 O HETATM 2639 O HOH 203 -13.002 -7.101 -28.147 1.00 42.63 O HETATM 2640 O HOH 204 -17.779 -7.516 -29.765 1.00 42.42 O HETATM 2641 O HOH 205 -14.769 -2.526 -27.417 1.00 28.78 O HETATM 2642 O HOH 206 -20.768 -7.260 -31.850 1.00 38.73 O HETATM 2643 O HOH 207 -12.434 9.303 -34.549 1.00 35.67 O HETATM 2644 O HOH 208 -20.758 -1.635 -38.150 1.00 56.93 O HETATM 2645 O HOH 209 -14.651 7.018 -43.348 1.00 25.81 O HETATM 2646 O HOH 210 -10.416 2.486 -21.706 1.00 26.03 O HETATM 2647 O HOH 211 -19.799 1.921 -34.641 1.00 28.58 O HETATM 2648 O HOH 212 -10.546 -2.607 -38.260 1.00 40.99 O HETATM 2649 O HOH 213 -10.413 6.274 -37.819 1.00 19.65 O HETATM 2650 O HOH 214 -8.684 4.909 -19.943 1.00 35.37 O HETATM 2651 O HOH 215 -14.046 1.776 -24.058 1.00 27.45 O HETATM 2652 O HOH 216 -21.149 1.427 -30.311 1.00 51.77 O HETATM 2653 O HOH 217 -12.713 -7.869 -32.714 1.00 35.89 O HETATM 2654 O HOH 218 -15.897 -10.453 -32.863 1.00 49.11 O HETATM 2655 O HOH 219 -15.378 -8.003 -37.273 1.00 52.76 O HETATM 2656 O HOH 220 -21.188 1.276 -37.441 1.00 41.53 O HETATM 2657 O HOH 221 6.937 -0.467 -19.445 1.00 21.70 O HETATM 2658 O HOH 222 9.632 2.317 -36.333 1.00 16.57 O HETATM 2659 O HOH 223 2.375 6.628 -46.872 1.00 17.08 O HETATM 2660 O HOH 224 10.917 -1.671 -28.881 1.00 30.56 O HETATM 2661 O HOH 225 4.495 -7.276 9.050 1.00 22.89 O HETATM 2662 O HOH 226 3.763 -11.812 -17.586 1.00 36.71 O HETATM 2663 O HOH 227 9.194 -3.827 -39.861 1.00 25.62 O HETATM 2664 O HOH 228 2.537 -9.710 -19.099 1.00 20.52 O HETATM 2665 O HOH 229 5.699 -11.020 -21.872 1.00 34.30 O HETATM 2666 O HOH 230 11.509 1.365 -42.479 1.00 27.61 O HETATM 2667 O HOH 231 5.813 -9.791 -39.933 1.00 36.62 O HETATM 2668 O HOH 232 9.133 -5.053 -18.494 1.00 45.99 O HETATM 2669 O HOH 233 6.524 -11.244 -5.798 1.00 31.94 O HETATM 2670 O HOH 234 4.712 -5.195 16.181 1.00 38.51 O HETATM 2671 O HOH 235 -6.789 -14.741 -7.155 1.00 47.91 O HETATM 2672 O HOH 236 4.183 -9.970 11.139 1.00 42.75 O HETATM 2673 O HOH 237 7.838 -13.823 -17.356 1.00 47.30 O HETATM 2674 O HOH 238 6.156 -13.422 -15.410 1.00 51.28 O HETATM 2675 O HOH 239 -1.258 -10.105 -8.984 1.00 30.55 O HETATM 2676 O HOH 240 11.555 -3.754 -38.430 1.00 37.07 O HETATM 2677 O HOH 241 7.967 -7.501 -22.729 1.00 22.32 O HETATM 2678 O HOH 242 -3.813 -11.011 8.779 1.00 47.52 O HETATM 2679 O HOH 243 8.031 -6.467 -15.689 1.00 24.79 O HETATM 2680 O HOH 244 9.811 -11.165 -20.364 1.00 41.28 O HETATM 2681 O HOH 245 -6.600 -7.072 11.662 1.00 42.27 O HETATM 2682 O HOH 246 -8.517 -10.692 -8.272 1.00 39.35 O HETATM 2683 O HOH 247 10.883 0.793 -46.751 1.00 47.87 O HETATM 2684 O HOH 248 6.639 -5.282 11.992 1.00 41.64 O HETATM 2685 O HOH 249 10.910 0.819 -50.143 1.00 40.87 O HETATM 2686 O HOH 250 10.084 3.547 -38.810 1.00 28.43 O HETATM 2687 O HOH 251 3.577 -8.188 6.838 1.00 27.96 O HETATM 2688 O HOH 252 12.694 -3.550 -33.054 1.00 45.17 O HETATM 2689 O HOH 253 -3.721 -9.789 -2.086 1.00 31.45 O HETATM 2690 O HOH 254 -2.057 -13.102 10.947 1.00 30.25 O HETATM 2691 O HOH 255 9.946 -3.100 -26.380 1.00 36.64 O HETATM 2692 O HOH 256 5.387 -10.498 -15.011 1.00 31.80 O HETATM 2693 O HOH 257 9.681 -6.289 -21.079 1.00 32.31 O HETATM 2694 O HOH 258 -0.484 -9.908 15.991 1.00 30.74 O HETATM 2695 O HOH 259 5.761 -4.750 -0.827 1.00 31.62 O HETATM 2696 O HOH 260 2.504 -6.693 11.131 1.00 20.72 O HETATM 2697 O HOH 261 6.545 -4.748 -9.815 1.00 28.25 O HETATM 2698 O HOH 262 11.795 -2.301 -35.816 1.00 42.29 O HETATM 2699 O HOH 263 5.693 -5.703 -39.440 1.00 19.02 O HETATM 2700 O HOH 264 11.973 2.975 -40.755 1.00 38.67 O HETATM 2701 O HOH 265 4.963 -10.680 -12.224 1.00 39.70 O HETATM 2702 O HOH 266 9.787 -2.447 -18.689 1.00 40.32 O HETATM 2703 O HOH 267 3.648 -7.718 -39.403 1.00 27.90 O HETATM 2704 O HOH 268 -5.254 -4.510 -7.799 1.00 38.01 O HETATM 2705 O HOH 269 12.683 2.084 -35.874 1.00 40.03 O HETATM 2706 O HOH 270 3.238 -9.781 17.640 1.00 33.87 O HETATM 2707 O HOH 271 2.809 4.241 -46.342 1.00 43.00 O HETATM 2708 O HOH 272 12.380 -0.808 -20.074 1.00 34.95 O HETATM 2709 O HOH 273 10.587 -3.225 -42.087 1.00 51.17 O HETATM 2710 O HOH 274 12.053 -4.043 -21.513 1.00 47.49 O HETATM 2711 O HOH 275 -6.875 -14.068 -0.043 1.00 55.24 O HETATM 2712 O HOH 276 -5.622 -9.281 -0.562 1.00 40.98 O HETATM 2713 O HOH 277 -3.768 -12.047 -3.534 1.00 29.61 O HETATM 2714 O HOH 278 -4.779 -12.094 0.975 1.00 41.56 O HETATM 2715 O HOH 279 -5.426 -8.113 1.690 1.00 36.00 O HETATM 2716 O HOH 280 12.673 -3.169 -30.360 1.00 41.91 O HETATM 2717 O HOH 281 -8.151 -8.085 -8.901 1.00 41.95 O HETATM 2718 O HOH 282 13.842 -3.815 -45.931 1.00 43.24 O HETATM 2719 O HOH 283 9.856 -6.562 -5.030 1.00 44.98 O HETATM 2720 O HOH 284 -2.205 -13.563 -14.596 1.00 61.60 O HETATM 2721 O HOH 285 13.047 -2.982 -43.746 1.00 48.03 O HETATM 2722 O HOH 286 11.798 -6.161 -41.891 1.00 56.62 O HETATM 2723 O HOH 287 13.749 0.816 -37.773 1.00 36.03 O HETATM 2724 O HOH 288 -6.332 -11.758 -7.987 1.00 59.65 O HETATM 2725 O HOH 289 6.669 -8.273 -8.713 1.00 39.45 O HETATM 2726 O HOH 290 7.695 -9.065 -45.423 1.00 41.68 O HETATM 2727 O HOH 291 9.191 -6.920 -25.066 1.00 40.85 O HETATM 2728 O HOH 292 13.065 4.695 -36.935 1.00 32.11 O HETATM 2729 O HOH 293 -0.524 -10.516 -11.949 1.00 39.68 O HETATM 2730 O HOH 294 9.796 -4.409 -44.354 1.00 43.27 O HETATM 2731 O HOH 295 -6.637 -11.948 -4.075 1.00 56.32 O HETATM 2732 O HOH 296 6.412 -7.317 10.758 1.00 40.13 O HETATM 2733 O HOH 297 11.015 -5.454 -26.565 1.00 42.21 O HETATM 2734 O HOH 298 5.570 -13.272 -19.509 1.00 40.33 O HETATM 2735 O HOH 299 10.995 -8.590 -19.784 1.00 55.20 O HETATM 2736 O HOH 300 8.265 -10.251 -22.455 1.00 46.20 O HETATM 2737 O HOH 301 11.057 -1.765 -48.532 1.00 64.54 O HETATM 2738 O HOH 302 6.826 -6.921 16.789 1.00 55.62 O HETATM 2739 O HOH 303 -7.008 -8.262 18.839 1.00 61.83 O HETATM 2740 O HOH 304 -7.269 -9.341 16.591 1.00 48.22 O HETATM 2741 O HOH 305 -10.105 -7.856 6.008 1.00 37.80 O HETATM 2742 O HOH 306 11.367 0.712 -25.262 1.00 41.66 O HETATM 2743 O HOH 307 8.171 -11.907 -24.788 1.00 37.02 O HETATM 2744 O HOH 308 6.717 -12.446 -38.411 1.00 16.36 O HETATM 2745 O HOH 309 1.032 -15.103 -35.034 1.00 39.31 O HETATM 2746 O HOH 310 9.610 -8.459 -28.447 1.00 26.12 O HETATM 2747 O HOH 311 -3.476 -13.321 -28.119 1.00 21.72 O HETATM 2748 O HOH 312 -3.379 -10.224 -22.067 1.00 32.01 O HETATM 2749 O HOH 313 12.651 -7.710 -28.147 1.00 42.63 O HETATM 2750 O HOH 314 15.399 -11.639 -29.765 1.00 42.42 O HETATM 2751 O HOH 315 9.572 -11.527 -27.417 1.00 28.78 O HETATM 2752 O HOH 316 16.672 -14.356 -31.850 1.00 38.73 O HETATM 2753 O HOH 317 -1.839 -15.420 -34.549 1.00 35.67 O HETATM 2754 O HOH 318 11.795 -17.159 -38.150 1.00 56.93 O HETATM 2755 O HOH 319 1.248 -16.197 -43.348 1.00 25.81 O HETATM 2756 O HOH 320 3.055 -10.263 -21.706 1.00 26.03 O HETATM 2757 O HOH 321 8.236 -18.107 -34.641 1.00 28.58 O HETATM 2758 O HOH 322 7.531 -7.830 -38.260 1.00 40.99 O HETATM 2759 O HOH 323 -0.227 -12.155 -37.819 1.00 19.65 O HETATM 2760 O HOH 324 0.091 -9.975 -19.943 1.00 35.37 O HETATM 2761 O HOH 325 5.485 -13.052 -24.058 1.00 27.45 O HETATM 2762 O HOH 326 9.339 -19.029 -30.311 1.00 51.77 O HETATM 2763 O HOH 327 13.171 -7.075 -32.714 1.00 35.89 O HETATM 2764 O HOH 328 17.001 -8.541 -32.863 1.00 49.11 O HETATM 2765 O HOH 329 14.620 -9.316 -37.273 1.00 52.76 O HETATM 2766 O HOH 330 9.489 -18.987 -37.441 1.00 41.53 O HETATM 2767 N DLY A 331 1.194 18.204 -33.998 1.00 0.24 N HETATM 2768 CA DLY A 331 2.518 17.851 -33.398 1.00 0.07 C HETATM 2769 C DLY A 331 2.527 16.478 -32.724 1.00 0.23 C HETATM 2770 O DLY A 331 2.100 15.482 -33.313 1.00 -0.39 O HETATM 2771 N DLY A 331 3.059 16.439 -31.502 1.00 -0.26 N HETATM 2772 CA DLY A 331 3.156 15.222 -30.694 1.00 0.12 C HETATM 2773 C DLY A 331 4.329 14.329 -31.122 1.00 0.20 C HETATM 2774 O DLY A 331 5.057 14.667 -32.060 1.00 -0.39 O HETATM 2775 N DLY A 331 4.489 13.184 -30.448 1.00 -0.26 N HETATM 2776 CA DLY A 331 5.559 12.215 -30.736 1.00 0.13 C HETATM 2777 CB DLY A 331 5.425 10.990 -29.836 1.00 -0.02 C HETATM 2778 H21 DLY A 331 6.231 10.277 -30.064 1.00 0.03 H HETATM 2779 H22 DLY A 331 4.451 10.510 -30.012 1.00 0.03 H HETATM 2780 H23 DLY A 331 5.496 11.299 -28.783 1.00 0.03 H HETATM 2781 C DLY A 331 6.966 12.783 -30.640 1.00 0.20 C HETATM 2782 O DLY A 331 7.805 12.536 -31.515 1.00 -0.39 O HETATM 2783 N DLY A 331 7.181 13.610 -29.620 1.00 -0.26 N HETATM 2784 CA DLY A 331 8.470 14.240 -29.370 1.00 0.14 C HETATM 2785 C DLY A 331 8.891 15.310 -30.373 1.00 0.20 C HETATM 2786 O DLY A 331 10.063 15.680 -30.435 1.00 -0.39 O HETATM 2787 N DLY A 331 7.943 15.725 -31.213 1.00 -0.26 N HETATM 2788 CA DLY A 331 8.165 16.740 -32.243 1.00 0.13 C HETATM 2789 C DLY A 331 8.147 16.158 -33.663 1.00 0.20 C HETATM 2790 O DLY A 331 8.518 16.836 -34.626 1.00 -0.39 O HETATM 2791 N DLY A 331 7.738 14.893 -33.776 1.00 -0.26 N HETATM 2792 CA DLY A 331 7.672 14.187 -35.053 1.00 0.15 C HETATM 2793 C DLY A 331 8.987 13.419 -35.245 1.00 0.21 C HETATM 2794 O DLY A 331 9.331 12.575 -34.414 1.00 -0.39 O HETATM 2795 N DLY A 331 9.744 13.711 -36.334 1.00 -0.25 N HETATM 2796 CA DLY A 331 11.031 13.054 -36.634 1.00 0.13 C HETATM 2797 CB DLY A 331 11.479 13.737 -37.935 1.00 -0.01 C HETATM 2798 CG DLY A 331 10.191 14.241 -38.546 1.00 -0.03 C HETATM 2799 CD DLY A 331 9.450 14.747 -37.346 1.00 0.04 C HETATM 2800 H44 DLY A 331 9.828 15.731 -37.030 1.00 0.05 H HETATM 2801 H45 DLY A 331 8.370 14.815 -37.544 1.00 0.05 H HETATM 2802 H42 DLY A 331 9.640 13.428 -39.042 1.00 0.03 H HETATM 2803 H43 DLY A 331 10.381 15.049 -39.268 1.00 0.03 H HETATM 2804 H40 DLY A 331 11.974 13.018 -38.604 1.00 0.03 H HETATM 2805 H41 DLY A 331 12.164 14.571 -37.723 1.00 0.03 H HETATM 2806 C DLY A 331 11.082 11.521 -36.742 1.00 0.20 C HETATM 2807 O DLY A 331 12.110 10.914 -36.399 1.00 -0.39 O HETATM 2808 N DLY A 331 9.983 10.904 -37.190 1.00 -0.26 N HETATM 2809 CA DLY A 331 9.913 9.444 -37.335 1.00 0.13 C HETATM 2810 C DLY A 331 9.413 8.724 -36.076 1.00 0.20 C HETATM 2811 O DLY A 331 9.315 7.488 -36.051 1.00 -0.39 O HETATM 2812 N DLY A 331 9.133 9.498 -35.027 1.00 -0.26 N HETATM 2813 CA DLY A 331 8.620 8.952 -33.767 1.00 0.14 C HETATM 2814 CB DLY A 331 7.187 9.451 -33.527 1.00 0.00 C HETATM 2815 CG DLY A 331 6.155 8.943 -34.518 1.00 -0.04 C HETATM 2816 CD1 DLY A 331 5.673 9.605 -35.614 1.00 0.02 C HETATM 2817 NE1 DLY A 331 4.695 8.861 -36.229 1.00 -0.29 N HETATM 2818 CE2 DLY A 331 4.527 7.692 -35.550 1.00 0.06 C HETATM 2819 CZ2 DLY A 331 3.648 6.602 -35.794 1.00 -0.04 C HETATM 2820 CH2 DLY A 331 3.692 5.525 -34.927 1.00 -0.08 C HETATM 2821 CZ3 DLY A 331 4.594 5.501 -33.822 1.00 -0.08 C HETATM 2822 CE3 DLY A 331 5.475 6.594 -33.579 1.00 -0.07 C HETATM 2823 CD2 DLY A 331 5.442 7.697 -34.453 1.00 -0.02 C HETATM 2824 H61 DLY A 331 6.158 6.577 -32.737 1.00 0.05 H HETATM 2825 H60 DLY A 331 4.609 4.642 -33.160 1.00 0.05 H HETATM 2826 H59 DLY A 331 3.029 4.683 -35.090 1.00 0.05 H HETATM 2827 H58 DLY A 331 2.963 6.614 -36.635 1.00 0.05 H HETATM 2828 H57 DLY A 331 4.172 9.143 -37.070 1.00 0.22 H HETATM 2829 H56 DLY A 331 6.016 10.582 -35.951 1.00 0.08 H HETATM 2830 H54 DLY A 331 7.196 10.550 -33.577 1.00 0.04 H HETATM 2831 H55 DLY A 331 6.879 9.132 -32.520 1.00 0.04 H HETATM 2832 C DLY A 331 9.480 9.249 -32.534 1.00 0.21 C HETATM 2833 O DLY A 331 9.015 9.112 -31.398 1.00 -0.39 O HETATM 2834 N DLY A 331 10.750 9.584 -32.762 1.00 -0.26 N HETATM 2835 CA DLY A 331 11.687 9.909 -31.680 1.00 0.13 C HETATM 2836 C DLY A 331 12.002 8.749 -30.735 1.00 0.20 C HETATM 2837 O DLY A 331 12.306 8.969 -29.561 1.00 -0.39 O HETATM 2838 N DLY A 331 11.854 7.523 -31.243 1.00 -0.26 N HETATM 2839 CA DLY A 331 12.082 6.299 -30.477 1.00 0.14 C HETATM 2840 CB DLY A 331 12.203 5.085 -31.429 1.00 0.00 C HETATM 2841 CG DLY A 331 10.977 4.839 -32.295 1.00 -0.04 C HETATM 2842 CD1 DLY A 331 10.697 5.417 -33.506 1.00 0.02 C HETATM 2843 NE1 DLY A 331 9.432 5.068 -33.921 1.00 -0.29 N HETATM 2844 CE2 DLY A 331 8.868 4.236 -32.989 1.00 0.06 C HETATM 2845 CZ2 DLY A 331 7.592 3.624 -32.962 1.00 -0.04 C HETATM 2846 CH2 DLY A 331 7.279 2.826 -31.874 1.00 -0.08 C HETATM 2847 CZ3 DLY A 331 8.205 2.621 -30.816 1.00 -0.08 C HETATM 2848 CE3 DLY A 331 9.482 3.233 -30.848 1.00 -0.07 C HETATM 2849 CD2 DLY A 331 9.818 4.059 -31.948 1.00 -0.02 C HETATM 2850 H79 DLY A 331 10.191 3.072 -30.044 1.00 0.05 H HETATM 2851 H78 DLY A 331 7.932 1.991 -29.977 1.00 0.05 H HETATM 2852 H77 DLY A 331 6.307 2.348 -31.829 1.00 0.05 H HETATM 2853 H76 DLY A 331 6.882 3.775 -33.767 1.00 0.05 H HETATM 2854 H75 DLY A 331 8.981 5.382 -34.792 1.00 0.22 H HETATM 2855 H74 DLY A 331 11.378 6.061 -34.061 1.00 0.08 H HETATM 2856 H72 DLY A 331 12.379 4.186 -30.820 1.00 0.04 H HETATM 2857 H73 DLY A 331 13.064 5.253 -32.092 1.00 0.04 H HETATM 2858 C DLY A 331 10.961 6.094 -29.443 1.00 0.21 C HETATM 2859 O DLY A 331 11.190 5.521 -28.375 1.00 -0.39 O HETATM 2860 N DLY A 331 9.748 6.532 -29.802 1.00 -0.26 N HETATM 2861 CA DLY A 331 8.567 6.427 -28.937 1.00 0.13 C HETATM 2862 CB DLY A 331 7.271 6.684 -29.719 1.00 -0.01 C HETATM 2863 CG DLY A 331 6.031 5.792 -29.530 1.00 -0.04 C HETATM 2864 CD1 DLY A 331 5.910 5.169 -28.161 1.00 -0.06 C HETATM 2865 H85 DLY A 331 5.000 4.552 -28.118 1.00 0.02 H HETATM 2866 H86 DLY A 331 5.852 5.962 -27.401 1.00 0.02 H HETATM 2867 H87 DLY A 331 6.790 4.538 -27.966 1.00 0.02 H HETATM 2868 CD2 DLY A 331 4.809 6.595 -29.881 1.00 -0.06 C HETATM 2869 H88 DLY A 331 4.933 7.033 -30.883 1.00 0.02 H HETATM 2870 H89 DLY A 331 4.675 7.400 -29.143 1.00 0.02 H HETATM 2871 H90 DLY A 331 3.925 5.940 -29.874 1.00 0.02 H HETATM 2872 H84 DLY A 331 6.110 4.964 -30.249 1.00 0.03 H HETATM 2873 H82 DLY A 331 7.535 6.628 -30.785 1.00 0.03 H HETATM 2874 H83 DLY A 331 6.957 7.709 -29.473 1.00 0.03 H HETATM 2875 C DLY A 331 8.688 7.448 -27.821 1.00 0.20 C HETATM 2876 O DLY A 331 8.418 7.139 -26.661 1.00 -0.39 O HETATM 2877 N DLY A 331 9.138 8.648 -28.184 1.00 -0.26 N HETATM 2878 CA DLY A 331 9.355 9.739 -27.242 1.00 0.14 C HETATM 2879 C DLY A 331 10.422 9.331 -26.219 1.00 0.20 C HETATM 2880 O DLY A 331 10.312 9.657 -25.040 1.00 -0.39 O HETATM 2881 N DLY A 331 11.406 8.555 -26.682 1.00 -0.26 N HETATM 2882 CA DLY A 331 12.499 8.052 -25.849 1.00 0.13 C HETATM 2883 CB DLY A 331 13.626 7.551 -26.727 1.00 -0.02 C HETATM 2884 H97 DLY A 331 14.444 7.175 -26.095 1.00 0.03 H HETATM 2885 H98 DLY A 331 13.997 8.375 -27.354 1.00 0.03 H HETATM 2886 H99 DLY A 331 13.256 6.739 -27.370 1.00 0.03 H HETATM 2887 C DLY A 331 12.048 6.937 -24.900 1.00 0.20 C HETATM 2888 O DLY A 331 12.528 6.849 -23.764 1.00 -0.39 O HETATM 2889 N DLY A 331 11.109 6.111 -25.369 1.00 -0.26 N HETATM 2890 CA DLY A 331 10.574 4.987 -24.605 1.00 0.14 C HETATM 2891 CB DLY A 331 9.847 4.034 -25.531 1.00 -0.02 C HETATM 2892 H102 DLY A 331 9.447 3.191 -24.949 1.00 0.03 H HETATM 2893 H103 DLY A 331 10.547 3.656 -26.291 1.00 0.03 H HETATM 2894 H104 DLY A 331 9.019 4.563 -26.026 1.00 0.03 H HETATM 2895 C DLY A 331 9.651 5.446 -23.482 1.00 0.26 C HETATM 2896 O DLY A 331 9.469 4.743 -22.487 1.00 -0.37 O HETATM 2897 O DLY A 331 9.034 6.620 -23.578 1.00 -0.29 O HETATM 2898 H105 DLY A 331 9.294 7.173 -22.850 1.00 0.25 H HETATM 2899 H101 DLY A 331 11.420 4.451 -24.150 1.00 0.08 H HETATM 2900 H100 DLY A 331 10.754 6.270 -26.290 1.00 0.19 H HETATM 2901 H96 DLY A 331 12.874 8.887 -25.239 1.00 0.08 H HETATM 2902 H95 DLY A 331 11.395 8.304 -27.650 1.00 0.19 H HETATM 2903 CB DLY A 331 9.806 10.980 -28.002 1.00 0.04 C HETATM 2904 SG DLY A 331 10.179 12.414 -26.949 1.00 -0.09 S HETATM 2905 SG DLY A 331 8.398 13.380 -26.733 1.00 -0.09 S HETATM 2906 CB DLY A 331 8.513 14.752 -27.934 1.00 0.04 C HETATM 2907 H26 DLY A 331 7.669 15.439 -27.774 1.00 0.04 H HETATM 2908 H27 DLY A 331 9.459 15.289 -27.774 1.00 0.04 H HETATM 2909 H93 DLY A 331 9.005 11.265 -28.700 1.00 0.04 H HETATM 2910 H94 DLY A 331 10.713 10.725 -28.569 1.00 0.04 H HETATM 2911 H92 DLY A 331 8.414 9.958 -26.715 1.00 0.08 H HETATM 2912 H91 DLY A 331 9.337 8.808 -29.151 1.00 0.19 H HETATM 2913 H81 DLY A 331 8.528 5.416 -28.506 1.00 0.08 H HETATM 2914 H80 DLY A 331 9.641 6.951 -30.704 1.00 0.19 H HETATM 2915 H71 DLY A 331 13.033 6.404 -29.933 1.00 0.08 H HETATM 2916 H70 DLY A 331 11.572 7.438 -32.199 1.00 0.19 H HETATM 2917 CB DLY A 331 12.972 10.507 -32.252 1.00 0.00 C HETATM 2918 CG DLY A 331 12.783 11.846 -32.971 1.00 0.04 C HETATM 2919 CD DLY A 331 12.332 12.968 -32.048 1.00 0.17 C HETATM 2920 OE1 DLY A 331 13.076 13.401 -31.172 1.00 -0.40 O HETATM 2921 NE2 DLY A 331 11.109 13.443 -32.248 1.00 -0.30 N HETATM 2922 H68 DLY A 331 10.759 14.181 -31.671 1.00 0.18 H HETATM 2923 H69 DLY A 331 10.538 13.063 -32.975 1.00 0.18 H HETATM 2924 H66 DLY A 331 12.025 11.716 -33.758 1.00 0.05 H HETATM 2925 H67 DLY A 331 13.741 12.134 -33.429 1.00 0.05 H HETATM 2926 H64 DLY A 331 13.396 9.789 -32.969 1.00 0.03 H HETATM 2927 H65 DLY A 331 13.679 10.659 -31.423 1.00 0.03 H HETATM 2928 H63 DLY A 331 11.205 10.687 -31.070 1.00 0.08 H HETATM 2929 H62 DLY A 331 11.077 9.615 -33.707 1.00 0.19 H HETATM 2930 H53 DLY A 331 8.586 7.858 -33.881 1.00 0.08 H HETATM 2931 H52 DLY A 331 9.278 10.485 -35.102 1.00 0.19 H HETATM 2932 CB DLY A 331 9.034 9.058 -38.538 1.00 -0.00 C HETATM 2933 CG DLY A 331 9.562 9.481 -39.927 1.00 0.00 C HETATM 2934 CD DLY A 331 10.697 8.616 -40.473 1.00 0.04 C HETATM 2935 OE1 DLY A 331 11.114 7.638 -39.814 1.00 -0.57 O HETATM 2936 OE2 DLY A 331 11.179 8.923 -41.582 1.00 -0.57 O HETATM 2937 H50 DLY A 331 9.926 10.516 -39.854 1.00 0.04 H HETATM 2938 H51 DLY A 331 8.725 9.436 -40.639 1.00 0.04 H HETATM 2939 H48 DLY A 331 8.047 9.524 -38.397 1.00 0.03 H HETATM 2940 H49 DLY A 331 8.926 7.963 -38.538 1.00 0.03 H HETATM 2941 H47 DLY A 331 10.935 9.088 -37.533 1.00 0.08 H HETATM 2942 H46 DLY A 331 9.184 11.454 -37.434 1.00 0.19 H HETATM 2943 H39 DLY A 331 11.733 13.321 -35.830 1.00 0.08 H HETATM 2944 CB DLY A 331 6.479 13.235 -35.059 1.00 0.08 C HETATM 2945 OG DLY A 331 5.275 13.932 -34.796 1.00 -0.39 O HETATM 2946 H38 DLY A 331 5.331 14.347 -33.944 1.00 0.21 H HETATM 2947 H36 DLY A 331 6.627 12.467 -34.285 1.00 0.06 H HETATM 2948 H37 DLY A 331 6.408 12.753 -36.045 1.00 0.06 H HETATM 2949 H35 DLY A 331 7.553 14.915 -35.869 1.00 0.08 H HETATM 2950 H34 DLY A 331 7.464 14.405 -32.947 1.00 0.19 H HETATM 2951 CB DLY A 331 7.131 17.863 -32.092 1.00 -0.00 C HETATM 2952 CG DLY A 331 7.443 18.815 -30.936 1.00 0.00 C HETATM 2953 CD DLY A 331 6.204 19.313 -30.212 1.00 0.04 C HETATM 2954 OE1 DLY A 331 5.541 18.499 -29.523 1.00 -0.57 O HETATM 2955 OE2 DLY A 331 5.907 20.525 -30.311 1.00 -0.57 O HETATM 2956 H32 DLY A 331 7.985 19.684 -31.337 1.00 0.04 H HETATM 2957 H33 DLY A 331 8.081 18.287 -30.212 1.00 0.04 H HETATM 2958 H30 DLY A 331 6.145 17.409 -31.915 1.00 0.03 H HETATM 2959 H31 DLY A 331 7.106 18.443 -33.026 1.00 0.03 H HETATM 2960 H29 DLY A 331 9.163 17.172 -32.077 1.00 0.08 H HETATM 2961 H28 DLY A 331 7.032 15.321 -31.135 1.00 0.19 H HETATM 2962 H25 DLY A 331 9.223 13.443 -29.450 1.00 0.08 H HETATM 2963 H24 DLY A 331 6.424 13.808 -28.997 1.00 0.19 H HETATM 2964 H20 DLY A 331 5.418 11.884 -31.775 1.00 0.08 H HETATM 2965 H19 DLY A 331 3.848 12.976 -29.710 1.00 0.19 H HETATM 2966 H17 DLY A 331 2.221 14.652 -30.799 1.00 0.08 H HETATM 2967 H18 DLY A 331 3.295 15.507 -29.641 1.00 0.08 H HETATM 2968 H16 DLY A 331 3.412 17.291 -31.115 1.00 0.19 H HETATM 2969 CB DLY A 331 3.631 17.927 -34.454 1.00 0.01 C HETATM 2970 CG DLY A 331 4.071 19.343 -34.806 1.00 -0.04 C HETATM 2971 CD DLY A 331 5.364 19.335 -35.608 1.00 -0.01 C HETATM 2972 CE DLY A 331 5.884 20.752 -35.843 1.00 -0.04 C HETATM 2973 NZ DLY A 331 7.186 20.768 -36.580 1.00 0.22 N HETATM 2974 H13 DLY A 331 7.487 21.721 -36.710 1.00 0.20 H HETATM 2975 H14 DLY A 331 7.069 20.327 -37.479 1.00 0.20 H HETATM 2976 H15 DLY A 331 7.880 20.267 -36.047 1.00 0.20 H HETATM 2977 H11 DLY A 331 6.024 21.243 -34.869 1.00 0.08 H HETATM 2978 H12 DLY A 331 5.139 21.309 -36.431 1.00 0.08 H HETATM 2979 H9 DLY A 331 5.179 18.856 -36.581 1.00 0.03 H HETATM 2980 H10 DLY A 331 6.124 18.762 -35.056 1.00 0.03 H HETATM 2981 H7 DLY A 331 4.229 19.911 -33.877 1.00 0.03 H HETATM 2982 H8 DLY A 331 3.283 19.826 -35.402 1.00 0.03 H HETATM 2983 H5 DLY A 331 3.268 17.442 -35.372 1.00 0.03 H HETATM 2984 H6 DLY A 331 4.506 17.380 -34.072 1.00 0.03 H HETATM 2985 H4 DLY A 331 2.736 18.600 -32.623 1.00 0.11 H HETATM 2986 H1 DLY A 331 1.251 19.115 -34.425 1.00 0.20 H HETATM 2987 H2 DLY A 331 0.490 18.215 -33.276 1.00 0.20 H HETATM 2988 H3 DLY A 331 0.949 17.520 -34.697 1.00 0.20 H CONECT 1 2 4 5 6 CONECT 2 1 3 7 CONECT 4 1 CONECT 5 1 CONECT 6 1 CONECT 7 2 8 30 CONECT 813 814 816 817 818 CONECT 814 813 815 819 CONECT 816 813 CONECT 817 813 CONECT 818 813 CONECT 819 814 820 842 CONECT 1625 1626 1628 1629 1630 CONECT 1626 1625 1627 1631 CONECT 1628 1625 CONECT 1629 1625 CONECT 1630 1625 CONECT 1631 1626 1632 1654 CONECT 2767 2768 2986 2987 2988 CONECT 2768 2767 2769 2969 2985 CONECT 2769 2768 2770 2771 CONECT 2770 2769 CONECT 2771 2769 2772 2968 CONECT 2772 2771 2773 2966 2967 CONECT 2773 2772 2774 2775 CONECT 2774 2773 CONECT 2775 2773 2776 2965 CONECT 2776 2775 2777 2781 2964 CONECT 2777 2776 2778 2779 2780 CONECT 2778 2777 CONECT 2779 2777 CONECT 2780 2777 CONECT 2781 2776 2782 2783 CONECT 2782 2781 CONECT 2783 2781 2784 2963 CONECT 2784 2783 2785 2906 2962 CONECT 2785 2784 2786 2787 CONECT 2786 2785 CONECT 2787 2785 2788 2961 CONECT 2788 2787 2789 2951 2960 CONECT 2789 2788 2790 2791 CONECT 2790 2789 CONECT 2791 2789 2792 2950 CONECT 2792 2791 2793 2944 2949 CONECT 2793 2792 2794 2795 CONECT 2794 2793 CONECT 2795 2793 2796 2799 CONECT 2796 2795 2797 2806 2943 CONECT 2797 2796 2798 2804 2805 CONECT 2798 2797 2799 2802 2803 CONECT 2799 2795 2798 2800 2801 CONECT 2800 2799 CONECT 2801 2799 CONECT 2802 2798 CONECT 2803 2798 CONECT 2804 2797 CONECT 2805 2797 CONECT 2806 2796 2807 2808 CONECT 2807 2806 CONECT 2808 2806 2809 2942 CONECT 2809 2808 2810 2932 2941 CONECT 2810 2809 2811 2812 CONECT 2811 2810 CONECT 2812 2810 2813 2931 CONECT 2813 2812 2814 2832 2930 CONECT 2814 2813 2815 2830 2831 CONECT 2815 2814 2816 2823 CONECT 2816 2815 2817 2829 CONECT 2817 2816 2818 2828 CONECT 2818 2817 2819 2823 CONECT 2819 2818 2820 2827 CONECT 2820 2819 2821 2826 CONECT 2821 2820 2822 2825 CONECT 2822 2821 2823 2824 CONECT 2823 2815 2818 2822 CONECT 2824 2822 CONECT 2825 2821 CONECT 2826 2820 CONECT 2827 2819 CONECT 2828 2817 CONECT 2829 2816 CONECT 2830 2814 CONECT 2831 2814 CONECT 2832 2813 2833 2834 CONECT 2833 2832 CONECT 2834 2832 2835 2929 CONECT 2835 2834 2836 2917 2928 CONECT 2836 2835 2837 2838 CONECT 2837 2836 CONECT 2838 2836 2839 2916 CONECT 2839 2838 2840 2858 2915 CONECT 2840 2839 2841 2856 2857 CONECT 2841 2840 2842 2849 CONECT 2842 2841 2843 2855 CONECT 2843 2842 2844 2854 CONECT 2844 2843 2845 2849 CONECT 2845 2844 2846 2853 CONECT 2846 2845 2847 2852 CONECT 2847 2846 2848 2851 CONECT 2848 2847 2849 2850 CONECT 2849 2841 2844 2848 CONECT 2850 2848 CONECT 2851 2847 CONECT 2852 2846 CONECT 2853 2845 CONECT 2854 2843 CONECT 2855 2842 CONECT 2856 2840 CONECT 2857 2840 CONECT 2858 2839 2859 2860 CONECT 2859 2858 CONECT 2860 2858 2861 2914 CONECT 2861 2860 2862 2875 2913 CONECT 2862 2861 2863 2873 2874 CONECT 2863 2862 2864 2868 2872 CONECT 2864 2863 2865 2866 2867 CONECT 2865 2864 CONECT 2866 2864 CONECT 2867 2864 CONECT 2868 2863 2869 2870 2871 CONECT 2869 2868 CONECT 2870 2868 CONECT 2871 2868 CONECT 2872 2863 CONECT 2873 2862 CONECT 2874 2862 CONECT 2875 2861 2876 2877 CONECT 2876 2875 CONECT 2877 2875 2878 2912 CONECT 2878 2877 2879 2903 2911 CONECT 2879 2878 2880 2881 CONECT 2880 2879 CONECT 2881 2879 2882 2902 CONECT 2882 2881 2883 2887 2901 CONECT 2883 2882 2884 2885 2886 CONECT 2884 2883 CONECT 2885 2883 CONECT 2886 2883 CONECT 2887 2882 2888 2889 CONECT 2888 2887 CONECT 2889 2887 2890 2900 CONECT 2890 2889 2891 2895 2899 CONECT 2891 2890 2892 2893 2894 CONECT 2892 2891 CONECT 2893 2891 CONECT 2894 2891 CONECT 2895 2890 2896 2897 CONECT 2896 2895 CONECT 2897 2895 2898 CONECT 2898 2897 CONECT 2899 2890 CONECT 2900 2889 CONECT 2901 2882 CONECT 2902 2881 CONECT 2903 2878 2904 2909 2910 CONECT 2904 2903 2905 CONECT 2905 2904 2906 CONECT 2906 2784 2905 2907 2908 CONECT 2907 2906 CONECT 2908 2906 CONECT 2909 2903 CONECT 2910 2903 CONECT 2911 2878 CONECT 2912 2877 CONECT 2913 2861 CONECT 2914 2860 CONECT 2915 2839 CONECT 2916 2838 CONECT 2917 2835 2918 2926 2927 CONECT 2918 2917 2919 2924 2925 CONECT 2919 2918 2920 2921 CONECT 2920 2919 CONECT 2921 2919 2922 2923 CONECT 2922 2921 CONECT 2923 2921 CONECT 2924 2918 CONECT 2925 2918 CONECT 2926 2917 CONECT 2927 2917 CONECT 2928 2835 CONECT 2929 2834 CONECT 2930 2813 CONECT 2931 2812 CONECT 2932 2809 2933 2939 2940 CONECT 2933 2932 2934 2937 2938 CONECT 2934 2933 2935 2936 CONECT 2935 2934 CONECT 2936 2934 CONECT 2937 2933 CONECT 2938 2933 CONECT 2939 2932 CONECT 2940 2932 CONECT 2941 2809 CONECT 2942 2808 CONECT 2943 2796 CONECT 2944 2792 2945 2947 2948 CONECT 2945 2944 2946 CONECT 2946 2945 CONECT 2947 2944 CONECT 2948 2944 CONECT 2949 2792 CONECT 2950 2791 CONECT 2951 2788 2952 2958 2959 CONECT 2952 2951 2953 2956 2957 CONECT 2953 2952 2954 2955 CONECT 2954 2953 CONECT 2955 2953 CONECT 2956 2952 CONECT 2957 2952 CONECT 2958 2951 CONECT 2959 2951 CONECT 2960 2788 CONECT 2961 2787 CONECT 2962 2784 CONECT 2963 2783 CONECT 2964 2776 CONECT 2965 2775 CONECT 2966 2772 CONECT 2967 2772 CONECT 2968 2771 CONECT 2969 2768 2970 2983 2984 CONECT 2970 2969 2971 2981 2982 CONECT 2971 2970 2972 2979 2980 CONECT 2972 2971 2973 2977 2978 CONECT 2973 2972 2974 2975 2976 CONECT 2974 2973 CONECT 2975 2973 CONECT 2976 2973 CONECT 2977 2972 CONECT 2978 2972 CONECT 2979 2971 CONECT 2980 2971 CONECT 2981 2970 CONECT 2982 2970 CONECT 2983 2969 CONECT 2984 2969 CONECT 2985 2768 CONECT 2986 2767 CONECT 2987 2767 CONECT 2988 2767 MASTER 0 0 0 0 0 0 0 0 2985 3 240 12 END
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17-mer
2br8
RCSB PDB
PDBbind
17-mer
2fys
RCSB PDB
PDBbind
17-mer
2jq9
RCSB PDB
PDBbind
17-mer
2krd
RCSB PDB
PDBbind
17-mer
2ll6
RCSB PDB
PDBbind
17-mer
2ll7
RCSB PDB
PDBbind
17-mer
2n3k
RCSB PDB
PDBbind
17-mer
2n9x
RCSB PDB
PDBbind
17-mer
2nm1
RCSB PDB
PDBbind
17-mer
2odd
RCSB PDB
PDBbind
17-mer
2r5b
RCSB PDB
PDBbind
17-mer
2r5d
RCSB PDB
PDBbind
17-mer
2uz6
RCSB PDB
PDBbind
17-mer
2w73
RCSB PDB
PDBbind
17-mer
2y6s
RCSB PDB
PDBbind
17-mer
3fdm
RCSB PDB
PDBbind
17-mer
6s07
RCSB PDB
PDBbind
17-mer
3ktr
RCSB PDB
PDBbind
17-mer
3o0e
RCSB PDB
PDBbind
17-mer
3qn7
RCSB PDB
PDBbind
17-mer
3t7g
RCSB PDB
PDBbind
17-mer
3u3f
RCSB PDB
PDBbind
17-mer
3uxg
RCSB PDB
PDBbind
17-mer
3uzd
RCSB PDB
PDBbind
17-mer
3v30
RCSB PDB
PDBbind
17-mer
3wp1
RCSB PDB
PDBbind
17-mer
4b60
RCSB PDB
PDBbind
17-mer
4blb
RCSB PDB
PDBbind
17-mer
4djs
RCSB PDB
PDBbind
17-mer
4esg
RCSB PDB
PDBbind
17-mer
4fmq
RCSB PDB
PDBbind
17-mer
4gy5
RCSB PDB
PDBbind
17-mer
4i31
RCSB PDB
PDBbind
17-mer
4i32
RCSB PDB
PDBbind
17-mer
4i33
RCSB PDB
PDBbind
17-mer
4j2c
RCSB PDB
PDBbind
17-mer
4kmd
RCSB PDB
PDBbind
17-mer
4lg6
RCSB PDB
PDBbind
17-mer
4ngh
RCSB PDB
PDBbind
17-mer
4nhc
RCSB PDB
PDBbind
17-mer
4odn
RCSB PDB
PDBbind
17-mer
4qqi
RCSB PDB
PDBbind
17-mer
4tzq
RCSB PDB
PDBbind
17-mer
4u0c
RCSB PDB
PDBbind
17-mer
4u0d
RCSB PDB
PDBbind
17-mer
4uu5
RCSB PDB
PDBbind
17-mer
4wym
RCSB PDB
PDBbind
17-mer
4z88
RCSB PDB
PDBbind
17-mer
4z89
RCSB PDB
PDBbind
17-mer
4z8a
RCSB PDB
PDBbind
17-mer
5ajo
RCSB PDB
PDBbind
17-mer
5ajp
RCSB PDB
PDBbind
17-mer
5fos
RCSB PDB
PDBbind
17-mer
5hog
RCSB PDB
PDBbind
17-mer
5i22
RCSB PDB
PDBbind
17-mer
5ixt
RCSB PDB
PDBbind
17-mer
5j3v
RCSB PDB
PDBbind
17-mer
5twh
RCSB PDB
PDBbind
17-mer
5vlp
RCSB PDB
PDBbind
17-mer
5vzu
RCSB PDB
PDBbind
17-mer
5xgl
RCSB PDB
PDBbind
17-mer
5xxf
RCSB PDB
PDBbind
17-mer
5yco
RCSB PDB
PDBbind
17-mer
5znr
RCSB PDB
PDBbind
17-mer
6a6w
RCSB PDB
PDBbind
17-mer
6e49
RCSB PDB
PDBbind
17-mer
6f6d
RCSB PDB
PDBbind
17-mer
6rjp
RCSB PDB
PDBbind
17-mer
6qtm
RCSB PDB
PDBbind
17-mer
6q36
RCSB PDB
PDBbind
17-mer
6njz
RCSB PDB
PDBbind
17-mer
6kmj
RCSB PDB
PDBbind
17-mer
6dat
RCSB PDB
PDBbind
17-mer
6da1
RCSB PDB
PDBbind
17-mer
5zk5
RCSB PDB
PDBbind
17-mer
5oy3
RCSB PDB
PDBbind
17-mer
6uyx
RCSB PDB
PDBbind
17-mer
6uyy
RCSB PDB
PDBbind
17-mer
6uyz
RCSB PDB
PDBbind
17-mer
Entry Information
PDB ID
2r3c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
gp41 N-peptide
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
1.73(Å)
Affinity (Kd/Ki/IC50)
IC50=2.2uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Proc.Natl.Acad.Sci.Usa Vol. 104: pp. 16828-16833
Ligand Properties
Formula
C
7
4
H
1
0
7
N
1
9
O
2
2
S
2
Molecular Weight
1678.890
Exact Mass
1677.730
No. of atoms
224
No. of bonds
229
Polar Surface Area
711.29
LOGP Value
-4.48 (
Computed with XLOGP3
)
-0.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 41
No. of Rings: 6
Canonical SMILES
[NH3+]CCCC[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]2N(C(=O)[C@H](NC(=O)[C@H](NC1=O)CCC(=O)O)CO)CCC2)CCC(=O)O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C)C)C)[NH3+]
InChI String
InChI=1S/C74H105N19O22S2/c1-36(2)27-50-67(107)92-54(70(110)82-38(4)61(101)83-39(5)74(114)115)34-116-117-35-55(91-62(102)37(3)81-58(96)32-80-63(103)44(76)15-10-11-25-75)71(111)85-48(20-23-59(97)98)66(106)90-53(33-94)73(113)93-26-12-18-56(93)72(112)86-49(21-24-60(99)100)65(105)88-51(28-40-30-78-45-16-8-6-13-42(40)45)68(108)84-47(19-22-57(77)95)64(104)89-52(69(109)87-50)29-41-31-79-46-17-9-7-14-43(41)46/h6-9,13-14,16-17,30-31,36-39,44,47-56,78-79,94H,10-12,15,18-29,32-35,75-76H2,1-5H3,(H2,77,95)(H,80,103)(H,81,96)(H,82,110)(H,83,101)(H,84,108)(H,85,111)(H,86,112)(H,87,109)(H,88,105)(H,89,104)(H,90,106)(H,91,102)(H,92,107)(H,97,98)(H,99,100)(H,114,115)/p+2/t37-,38-,39-,44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1
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UniProtKB AC
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Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
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