Browse entries in the PDBbind-CN Database
HEADER 2R5B_COMPLEX COMPND 2R5B_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 271 229 HETATM 1 CA ACE A 0 -19.497 2.310 -38.492 1.00 57.75 C HETATM 2 C ACE A 0 -18.279 1.932 -37.701 1.00 57.63 C HETATM 3 O ACE A 0 -18.358 1.187 -36.728 1.00 57.59 O HETATM 4 H3 ACE A 0 -19.208 2.974 -39.307 1.00 0.00 H HETATM 5 H2 ACE A 0 -20.207 2.820 -37.841 1.00 0.00 H HETATM 6 H1 ACE A 0 -19.957 1.410 -38.900 1.00 0.00 H ATOM 7 N ARG A 1 -17.120 2.323 -38.230 1.00 57.70 N ATOM 8 CA ARG A 1 -15.808 2.120 -37.619 1.00 57.70 C ATOM 9 C ARG A 1 -15.632 2.982 -36.356 1.00 57.76 C ATOM 10 O ARG A 1 -15.091 2.516 -35.346 1.00 57.59 O ATOM 11 CB ARG A 1 -14.703 2.396 -38.645 1.00 57.82 C ATOM 12 CG ARG A 1 -13.317 1.908 -38.242 1.00 58.14 C ATOM 13 CD ARG A 1 -12.485 1.500 -39.454 1.00 58.50 C ATOM 14 NE ARG A 1 -11.543 2.528 -39.889 1.00 59.21 N ATOM 15 CZ ARG A 1 -10.251 2.561 -39.559 1.00 59.75 C ATOM 16 NH1 ARG A 1 -9.726 1.628 -38.767 1.00 57.84 N ATOM 17 NH2 ARG A 1 -9.478 3.540 -40.017 1.00 59.38 N ATOM 18 HA ARG A 1 -15.734 1.079 -37.303 1.00 0.00 H ATOM 19 HB2 ARG A 1 -14.977 1.905 -39.579 1.00 0.00 H ATOM 20 HB3 ARG A 1 -14.650 3.473 -38.805 1.00 0.00 H ATOM 21 HG2 ARG A 1 -12.801 2.709 -37.713 1.00 0.00 H ATOM 22 HG3 ARG A 1 -13.424 1.048 -37.581 1.00 0.00 H ATOM 23 HD2 ARG A 1 -13.162 1.281 -40.280 1.00 0.00 H ATOM 24 HD3 ARG A 1 -11.922 0.602 -39.200 1.00 0.00 H ATOM 25 HE ARG A 1 -11.905 3.288 -40.499 1.00 0.00 H ATOM 26 HH12 ARG A 1 -8.717 1.665 -38.517 1.00 0.00 H ATOM 27 HH11 ARG A 1 -10.325 0.862 -38.398 1.00 0.00 H ATOM 28 HH22 ARG A 1 -8.470 3.569 -39.762 1.00 0.00 H ATOM 29 HH21 ARG A 1 -9.881 4.277 -40.630 1.00 0.00 H ATOM 30 H ARG A 1 -17.152 2.810 -39.148 1.00 0.00 H ATOM 31 N MET A 2 -16.110 4.225 -36.416 1.00 57.46 N ATOM 32 CA MET A 2 -16.043 5.153 -35.283 1.00 57.34 C ATOM 33 C MET A 2 -17.059 4.832 -34.178 1.00 56.54 C ATOM 34 O MET A 2 -16.769 5.011 -32.990 1.00 56.35 O ATOM 35 CB MET A 2 -16.209 6.598 -35.776 1.00 58.01 C ATOM 36 CG MET A 2 -16.112 7.682 -34.711 1.00 59.00 C ATOM 37 SD MET A 2 -14.544 7.693 -33.820 1.00 62.56 S ATOM 38 CE MET A 2 -14.330 9.445 -33.535 1.00 60.64 C ATOM 39 HA MET A 2 -15.058 5.034 -34.831 1.00 0.00 H ATOM 40 HB2 MET A 2 -15.434 6.789 -36.518 1.00 0.00 H ATOM 41 HB3 MET A 2 -17.189 6.680 -36.247 1.00 0.00 H ATOM 42 HG2 MET A 2 -16.915 7.529 -33.991 1.00 0.00 H ATOM 43 HG3 MET A 2 -16.239 8.651 -35.194 1.00 0.00 H ATOM 44 HE1 MET A 2 -14.292 9.965 -34.492 1.00 0.00 H ATOM 45 HE2 MET A 2 -15.168 9.821 -32.948 1.00 0.00 H ATOM 46 HE3 MET A 2 -13.400 9.612 -32.992 1.00 0.00 H ATOM 47 H MET A 2 -16.548 4.549 -37.302 1.00 0.00 H ATOM 48 N LYS A 3 -18.239 4.350 -34.569 1.00 55.52 N ATOM 49 CA LYS A 3 -19.303 4.031 -33.604 1.00 54.44 C ATOM 50 C LYS A 3 -19.142 2.647 -32.955 1.00 53.28 C ATOM 51 O LYS A 3 -19.731 2.373 -31.901 1.00 53.17 O ATOM 52 CB LYS A 3 -20.690 4.163 -34.245 1.00 54.61 C ATOM 53 CG LYS A 3 -21.207 2.892 -34.911 1.00 55.89 C ATOM 54 CD LYS A 3 -22.724 2.806 -34.808 1.00 58.25 C ATOM 55 CE LYS A 3 -23.242 1.435 -35.227 1.00 58.59 C ATOM 56 NZ LYS A 3 -24.610 1.188 -34.674 1.00 59.41 N ATOM 57 HA LYS A 3 -19.209 4.765 -32.804 1.00 0.00 H ATOM 58 HB2 LYS A 3 -21.398 4.452 -33.468 1.00 0.00 H ATOM 59 HB3 LYS A 3 -20.642 4.947 -35.000 1.00 0.00 H ATOM 60 HG2 LYS A 3 -20.920 2.897 -35.962 1.00 0.00 H ATOM 61 HG3 LYS A 3 -20.765 2.025 -34.419 1.00 0.00 H ATOM 62 HD2 LYS A 3 -23.019 2.995 -33.776 1.00 0.00 H ATOM 63 HD3 LYS A 3 -23.166 3.564 -35.455 1.00 0.00 H ATOM 64 HE2 LYS A 3 -22.563 0.668 -34.855 1.00 0.00 H ATOM 65 HE3 LYS A 3 -23.283 1.386 -36.315 1.00 0.00 H ATOM 66 HZ1 LYS A 3 -24.575 1.229 -33.635 1.00 0.00 H ATOM 67 HZ2 LYS A 3 -25.263 1.915 -35.030 1.00 0.00 H ATOM 68 HZ3 LYS A 3 -24.939 0.248 -34.974 1.00 0.00 H ATOM 69 H LYS A 3 -18.412 4.195 -35.583 1.00 0.00 H ATOM 70 N GLN A 4 -18.376 1.771 -33.602 1.00 51.63 N ATOM 71 CA GLN A 4 -17.997 0.509 -32.998 1.00 50.25 C ATOM 72 C GLN A 4 -17.122 0.785 -31.778 1.00 48.87 C ATOM 73 O GLN A 4 -17.320 0.183 -30.729 1.00 48.72 O ATOM 74 CB GLN A 4 -17.266 -0.388 -33.997 1.00 50.56 C ATOM 75 CG GLN A 4 -16.844 -1.730 -33.405 1.00 50.71 C ATOM 76 CD GLN A 4 -17.427 -2.920 -34.150 1.00 51.57 C ATOM 77 OE1 GLN A 4 -18.452 -2.807 -34.825 1.00 51.55 O ATOM 78 NE2 GLN A 4 -16.778 -4.074 -34.020 1.00 51.61 N ATOM 79 HA GLN A 4 -18.898 -0.021 -32.689 1.00 0.00 H ATOM 80 HB2 GLN A 4 -17.927 -0.575 -34.843 1.00 0.00 H ATOM 81 HB3 GLN A 4 -16.374 0.134 -34.343 1.00 0.00 H ATOM 82 HG2 GLN A 4 -15.757 -1.798 -33.439 1.00 0.00 H ATOM 83 HG3 GLN A 4 -17.177 -1.772 -32.368 1.00 0.00 H ATOM 84 HE22 GLN A 4 -15.916 -4.123 -33.440 1.00 0.00 H ATOM 85 HE21 GLN A 4 -17.132 -4.927 -34.498 1.00 0.00 H ATOM 86 H GLN A 4 -18.043 1.997 -34.561 1.00 0.00 H ATOM 87 N ILE A 5 -16.159 1.694 -31.943 1.00 47.39 N ATOM 88 CA ILE A 5 -15.341 2.229 -30.846 1.00 46.01 C ATOM 89 C ILE A 5 -16.211 2.691 -29.675 1.00 45.01 C ATOM 90 O ILE A 5 -15.993 2.266 -28.548 1.00 44.48 O ATOM 91 CB ILE A 5 -14.446 3.406 -31.328 1.00 46.00 C ATOM 92 CG1 ILE A 5 -13.456 2.921 -32.398 1.00 45.68 C ATOM 93 CG2 ILE A 5 -13.728 4.070 -30.152 1.00 45.22 C ATOM 94 CD1 ILE A 5 -12.928 4.030 -33.308 1.00 46.18 C ATOM 95 HA ILE A 5 -14.698 1.417 -30.506 1.00 0.00 H ATOM 96 HB ILE A 5 -15.085 4.164 -31.782 1.00 0.00 H ATOM 97 HG12 ILE A 5 -12.607 2.458 -31.895 1.00 0.00 H ATOM 98 HG13 ILE A 5 -13.958 2.179 -33.018 1.00 0.00 H ATOM 99 HD11 ILE A 5 -13.763 4.498 -33.830 1.00 0.00 H ATOM 100 HD12 ILE A 5 -12.410 4.777 -32.706 1.00 0.00 H ATOM 101 HD13 ILE A 5 -12.236 3.604 -34.034 1.00 0.00 H ATOM 102 HG21 ILE A 5 -14.466 4.458 -29.449 1.00 0.00 H ATOM 103 HG22 ILE A 5 -13.098 3.335 -29.651 1.00 0.00 H ATOM 104 HG23 ILE A 5 -13.110 4.889 -30.521 1.00 0.00 H ATOM 105 H ILE A 5 -15.977 2.044 -32.905 1.00 0.00 H ATOM 106 N GLU A 6 -17.200 3.541 -29.961 1.00 44.08 N ATOM 107 CA GLU A 6 -18.104 4.073 -28.934 1.00 43.43 C ATOM 108 C GLU A 6 -18.889 2.972 -28.227 1.00 42.27 C ATOM 109 O GLU A 6 -18.983 2.964 -27.000 1.00 42.02 O ATOM 110 CB GLU A 6 -19.081 5.092 -29.524 1.00 43.62 C ATOM 111 CG GLU A 6 -19.734 5.960 -28.456 1.00 45.79 C ATOM 112 CD GLU A 6 -21.249 5.990 -28.537 1.00 48.02 C ATOM 113 OE1 GLU A 6 -21.815 7.106 -28.640 1.00 49.76 O ATOM 114 OE2 GLU A 6 -21.875 4.903 -28.487 1.00 48.97 O ATOM 115 HA GLU A 6 -17.469 4.567 -28.199 1.00 0.00 H ATOM 116 HB2 GLU A 6 -18.539 5.737 -30.216 1.00 0.00 H ATOM 117 HB3 GLU A 6 -19.861 4.556 -30.065 1.00 0.00 H ATOM 118 HG2 GLU A 6 -19.449 5.575 -27.477 1.00 0.00 H ATOM 119 HG3 GLU A 6 -19.363 6.979 -28.566 1.00 0.00 H ATOM 120 H GLU A 6 -17.335 3.837 -30.949 1.00 0.00 H ATOM 121 N ASP A 7 -19.456 2.058 -29.012 1.00 41.02 N ATOM 122 CA ASP A 7 -20.156 0.890 -28.478 1.00 40.07 C ATOM 123 C ASP A 7 -19.252 0.085 -27.540 1.00 38.69 C ATOM 124 O ASP A 7 -19.655 -0.241 -26.431 1.00 38.20 O ATOM 125 CB ASP A 7 -20.687 -0.012 -29.609 1.00 40.41 C ATOM 126 CG ASP A 7 -22.014 0.483 -30.204 1.00 42.64 C ATOM 127 OD1 ASP A 7 -22.624 -0.275 -31.005 1.00 44.99 O ATOM 128 OD2 ASP A 7 -22.453 1.611 -29.881 1.00 43.12 O ATOM 129 HA ASP A 7 -21.008 1.257 -27.906 1.00 0.00 H ATOM 130 HB2 ASP A 7 -19.942 -0.047 -30.404 1.00 0.00 H ATOM 131 HB3 ASP A 7 -20.838 -1.015 -29.211 1.00 0.00 H ATOM 132 H ASP A 7 -19.399 2.179 -30.043 1.00 0.00 H ATOM 133 N LYS A 8 -18.029 -0.213 -27.982 1.00 37.39 N ATOM 134 CA LYS A 8 -17.100 -1.022 -27.190 1.00 36.04 C ATOM 135 C LYS A 8 -16.681 -0.363 -25.866 1.00 35.03 C ATOM 136 O LYS A 8 -16.593 -1.041 -24.844 1.00 34.09 O ATOM 137 CB LYS A 8 -15.870 -1.419 -28.009 1.00 36.25 C ATOM 138 CG LYS A 8 -16.141 -2.390 -29.160 1.00 36.54 C ATOM 139 CD LYS A 8 -14.877 -2.606 -29.990 1.00 36.78 C ATOM 140 CE LYS A 8 -15.017 -3.789 -30.945 1.00 37.29 C ATOM 141 NZ LYS A 8 -14.753 -5.078 -30.233 1.00 40.03 N ATOM 142 HA LYS A 8 -17.652 -1.923 -26.922 1.00 0.00 H ATOM 143 HB2 LYS A 8 -15.436 -0.511 -28.428 1.00 0.00 H ATOM 144 HB3 LYS A 8 -15.152 -1.886 -27.335 1.00 0.00 H ATOM 145 HG2 LYS A 8 -16.470 -3.346 -28.753 1.00 0.00 H ATOM 146 HG3 LYS A 8 -16.923 -1.980 -29.798 1.00 0.00 H ATOM 147 HD2 LYS A 8 -14.679 -1.705 -30.571 1.00 0.00 H ATOM 148 HD3 LYS A 8 -14.041 -2.794 -29.316 1.00 0.00 H ATOM 149 HE2 LYS A 8 -14.302 -3.677 -31.760 1.00 0.00 H ATOM 150 HE3 LYS A 8 -16.029 -3.804 -31.350 1.00 0.00 H ATOM 151 HZ1 LYS A 8 -13.787 -5.069 -29.848 1.00 0.00 H ATOM 152 HZ2 LYS A 8 -15.436 -5.190 -29.456 1.00 0.00 H ATOM 153 HZ3 LYS A 8 -14.854 -5.869 -30.901 1.00 0.00 H ATOM 154 H LYS A 8 -17.727 0.138 -28.913 1.00 0.00 H ATOM 155 N ILE A 9 -16.425 0.945 -25.887 1.00 34.00 N ATOM 156 CA ILE A 9 -16.077 1.693 -24.666 1.00 33.58 C ATOM 157 C ILE A 9 -17.190 1.566 -23.633 1.00 33.89 C ATOM 158 O ILE A 9 -16.946 1.266 -22.457 1.00 32.69 O ATOM 159 CB ILE A 9 -15.801 3.192 -24.969 1.00 33.87 C ATOM 160 CG1 ILE A 9 -14.455 3.335 -25.688 1.00 32.99 C ATOM 161 CG2 ILE A 9 -15.855 4.045 -23.674 1.00 32.52 C ATOM 162 CD1 ILE A 9 -14.123 4.734 -26.116 1.00 33.37 C ATOM 163 HA ILE A 9 -15.161 1.259 -24.265 1.00 0.00 H ATOM 164 HB ILE A 9 -16.583 3.570 -25.627 1.00 0.00 H ATOM 165 HG12 ILE A 9 -13.671 2.990 -25.014 1.00 0.00 H ATOM 166 HG13 ILE A 9 -14.474 2.703 -26.576 1.00 0.00 H ATOM 167 HD11 ILE A 9 -14.889 5.094 -26.802 1.00 0.00 H ATOM 168 HD12 ILE A 9 -14.085 5.381 -25.240 1.00 0.00 H ATOM 169 HD13 ILE A 9 -13.154 4.740 -26.616 1.00 0.00 H ATOM 170 HG21 ILE A 9 -16.844 3.957 -23.223 1.00 0.00 H ATOM 171 HG22 ILE A 9 -15.101 3.687 -22.973 1.00 0.00 H ATOM 172 HG23 ILE A 9 -15.658 5.089 -23.919 1.00 0.00 H ATOM 173 H ILE A 9 -16.472 1.453 -26.793 1.00 0.00 H ATOM 174 N GLU A 10 -18.419 1.781 -24.097 1.00 33.82 N ATOM 175 CA GLU A 10 -19.593 1.705 -23.242 1.00 34.21 C ATOM 176 C GLU A 10 -19.848 0.285 -22.707 1.00 33.49 C ATOM 177 O GLU A 10 -20.263 0.127 -21.552 1.00 33.77 O ATOM 178 CB GLU A 10 -20.803 2.309 -23.974 1.00 34.68 C ATOM 179 CG GLU A 10 -21.014 3.845 -23.755 1.00 38.47 C ATOM 180 CD GLU A 10 -19.750 4.738 -23.888 1.00 42.92 C ATOM 181 OE1 GLU A 10 -19.171 4.862 -24.998 1.00 45.42 O ATOM 182 OE2 GLU A 10 -19.357 5.364 -22.875 1.00 45.96 O ATOM 183 HA GLU A 10 -19.412 2.301 -22.348 1.00 0.00 H ATOM 184 HB2 GLU A 10 -20.673 2.135 -25.042 1.00 0.00 H ATOM 185 HB3 GLU A 10 -21.699 1.792 -23.629 1.00 0.00 H ATOM 186 HG2 GLU A 10 -21.743 4.189 -24.489 1.00 0.00 H ATOM 187 HG3 GLU A 10 -21.417 3.986 -22.752 1.00 0.00 H ATOM 188 H GLU A 10 -18.544 2.011 -25.104 1.00 0.00 H ATOM 189 N GLU A 11 -19.557 -0.738 -23.513 1.00 32.78 N ATOM 190 CA GLU A 11 -19.650 -2.142 -23.076 1.00 32.56 C ATOM 191 C GLU A 11 -18.555 -2.552 -22.056 1.00 31.79 C ATOM 192 O GLU A 11 -18.824 -3.318 -21.122 1.00 30.62 O ATOM 193 CB GLU A 11 -19.695 -3.113 -24.282 1.00 33.32 C ATOM 194 CG GLU A 11 -21.131 -3.333 -24.891 1.00 37.15 C ATOM 195 CD GLU A 11 -21.360 -2.727 -26.298 1.00 42.40 C ATOM 196 OE1 GLU A 11 -22.264 -1.861 -26.463 1.00 42.39 O ATOM 197 OE2 GLU A 11 -20.650 -3.136 -27.252 1.00 44.49 O ATOM 198 HA GLU A 11 -20.597 -2.221 -22.541 1.00 0.00 H ATOM 199 HB2 GLU A 11 -19.050 -2.714 -25.065 1.00 0.00 H ATOM 200 HB3 GLU A 11 -19.312 -4.080 -23.955 1.00 0.00 H ATOM 201 HG2 GLU A 11 -21.308 -4.407 -24.955 1.00 0.00 H ATOM 202 HG3 GLU A 11 -21.856 -2.886 -24.211 1.00 0.00 H ATOM 203 H GLU A 11 -19.253 -0.536 -24.487 1.00 0.00 H ATOM 204 N ILE A 12 -17.338 -2.039 -22.242 1.00 30.66 N ATOM 205 CA ILE A 12 -16.242 -2.217 -21.284 1.00 30.25 C ATOM 206 C ILE A 12 -16.592 -1.576 -19.931 1.00 29.87 C ATOM 207 O ILE A 12 -16.414 -2.201 -18.895 1.00 29.64 O ATOM 208 CB ILE A 12 -14.904 -1.623 -21.798 1.00 30.25 C ATOM 209 CG1 ILE A 12 -14.414 -2.351 -23.058 1.00 30.48 C ATOM 210 CG2 ILE A 12 -13.823 -1.711 -20.722 1.00 30.14 C ATOM 211 CD1 ILE A 12 -13.307 -1.601 -23.779 1.00 30.88 C ATOM 212 HA ILE A 12 -16.111 -3.292 -21.162 1.00 0.00 H ATOM 213 HB ILE A 12 -15.092 -0.578 -22.044 1.00 0.00 H ATOM 214 HG12 ILE A 12 -14.039 -3.333 -22.769 1.00 0.00 H ATOM 215 HG13 ILE A 12 -15.255 -2.471 -23.740 1.00 0.00 H ATOM 216 HD11 ILE A 12 -13.672 -0.620 -24.082 1.00 0.00 H ATOM 217 HD12 ILE A 12 -12.455 -1.482 -23.110 1.00 0.00 H ATOM 218 HD13 ILE A 12 -13.003 -2.165 -24.661 1.00 0.00 H ATOM 219 HG21 ILE A 12 -14.142 -1.152 -19.842 1.00 0.00 H ATOM 220 HG22 ILE A 12 -13.664 -2.755 -20.453 1.00 0.00 H ATOM 221 HG23 ILE A 12 -12.895 -1.288 -21.106 1.00 0.00 H ATOM 222 H ILE A 12 -17.158 -1.488 -23.105 1.00 0.00 H ATOM 223 N GLU A 13 -17.080 -0.336 -19.956 1.00 29.82 N ATOM 224 CA GLU A 13 -17.515 0.368 -18.747 1.00 30.33 C ATOM 225 C GLU A 13 -18.597 -0.422 -17.985 1.00 29.83 C ATOM 226 O GLU A 13 -18.546 -0.552 -16.746 1.00 28.20 O ATOM 227 CB GLU A 13 -18.024 1.763 -19.103 1.00 30.61 C ATOM 228 CG GLU A 13 -16.941 2.812 -19.400 1.00 32.11 C ATOM 229 CD GLU A 13 -17.545 4.140 -19.866 1.00 33.00 C ATOM 230 OE1 GLU A 13 -18.715 4.141 -20.311 1.00 37.89 O ATOM 231 OE2 GLU A 13 -16.862 5.188 -19.792 1.00 37.78 O ATOM 232 HA GLU A 13 -16.652 0.461 -18.088 1.00 0.00 H ATOM 233 HB2 GLU A 13 -18.656 1.674 -19.987 1.00 0.00 H ATOM 234 HB3 GLU A 13 -18.621 2.125 -18.266 1.00 0.00 H ATOM 235 HG2 GLU A 13 -16.361 2.987 -18.494 1.00 0.00 H ATOM 236 HG3 GLU A 13 -16.284 2.430 -20.182 1.00 0.00 H ATOM 237 H GLU A 13 -17.155 0.152 -20.871 1.00 0.00 H ATOM 238 N SER A 14 -19.578 -0.938 -18.726 1.00 29.44 N ATOM 239 CA SER A 14 -20.615 -1.780 -18.138 1.00 30.06 C ATOM 240 C SER A 14 -20.028 -3.040 -17.515 1.00 29.74 C ATOM 241 O SER A 14 -20.419 -3.435 -16.407 1.00 29.38 O ATOM 242 CB SER A 14 -21.665 -2.172 -19.178 1.00 30.35 C ATOM 243 OG SER A 14 -22.329 -3.362 -18.767 1.00 32.14 O ATOM 244 HA SER A 14 -21.091 -1.191 -17.354 1.00 0.00 H ATOM 245 HB2 SER A 14 -21.178 -2.342 -20.138 1.00 0.00 H ATOM 246 HB3 SER A 14 -22.393 -1.367 -19.279 1.00 0.00 H ATOM 247 HG SER A 14 -22.772 -3.207 -17.895 1.00 0.00 H ATOM 248 H SER A 14 -19.605 -0.736 -19.746 1.00 0.00 H ATOM 249 N LYS A 15 -19.104 -3.674 -18.233 1.00 29.27 N ATOM 250 CA LYS A 15 -18.453 -4.879 -17.734 1.00 29.54 C ATOM 251 C LYS A 15 -17.623 -4.615 -16.472 1.00 28.89 C ATOM 252 O LYS A 15 -17.555 -5.480 -15.583 1.00 28.17 O ATOM 253 CB LYS A 15 -17.604 -5.556 -18.820 1.00 30.19 C ATOM 254 CG LYS A 15 -17.647 -7.086 -18.739 1.00 32.45 C ATOM 255 CD LYS A 15 -18.754 -7.672 -19.641 1.00 35.21 C ATOM 256 CE LYS A 15 -19.223 -9.066 -19.179 1.00 37.57 C ATOM 257 NZ LYS A 15 -20.627 -9.390 -19.623 1.00 39.40 N ATOM 258 HA LYS A 15 -19.251 -5.567 -17.455 1.00 0.00 H ATOM 259 HB2 LYS A 15 -17.977 -5.248 -19.797 1.00 0.00 H ATOM 260 HB3 LYS A 15 -16.570 -5.230 -18.708 1.00 0.00 H ATOM 261 HG2 LYS A 15 -16.684 -7.485 -19.057 1.00 0.00 H ATOM 262 HG3 LYS A 15 -17.838 -7.381 -17.707 1.00 0.00 H ATOM 263 HD2 LYS A 15 -19.608 -6.995 -19.630 1.00 0.00 H ATOM 264 HD3 LYS A 15 -18.369 -7.753 -20.658 1.00 0.00 H ATOM 265 HE2 LYS A 15 -19.185 -9.103 -18.090 1.00 0.00 H ATOM 266 HE3 LYS A 15 -18.546 -9.815 -19.590 1.00 0.00 H ATOM 267 HZ1 LYS A 15 -21.285 -8.687 -19.229 1.00 0.00 H ATOM 268 HZ2 LYS A 15 -20.675 -9.367 -20.662 1.00 0.00 H ATOM 269 HZ3 LYS A 15 -20.887 -10.338 -19.283 1.00 0.00 H ATOM 270 H LYS A 15 -18.841 -3.303 -19.168 1.00 0.00 H ATOM 271 N GLN A 16 -17.032 -3.423 -16.371 1.00 27.70 N ATOM 272 CA GLN A 16 -16.273 -3.059 -15.164 1.00 27.52 C ATOM 273 C GLN A 16 -17.158 -2.902 -13.929 1.00 27.66 C ATOM 274 O GLN A 16 -16.738 -3.260 -12.823 1.00 26.76 O ATOM 275 CB GLN A 16 -15.454 -1.788 -15.353 1.00 27.10 C ATOM 276 CG GLN A 16 -14.276 -1.943 -16.307 1.00 26.75 C ATOM 277 CD GLN A 16 -13.401 -0.697 -16.375 1.00 27.45 C ATOM 278 OE1 GLN A 16 -13.904 0.430 -16.425 1.00 28.02 O ATOM 279 NE2 GLN A 16 -12.085 -0.897 -16.398 1.00 27.16 N ATOM 280 HA GLN A 16 -15.595 -3.897 -14.999 1.00 0.00 H ATOM 281 HB2 GLN A 16 -16.112 -1.012 -15.744 1.00 0.00 H ATOM 282 HB3 GLN A 16 -15.069 -1.481 -14.381 1.00 0.00 H ATOM 283 HG2 GLN A 16 -13.664 -2.780 -15.972 1.00 0.00 H ATOM 284 HG3 GLN A 16 -14.661 -2.153 -17.305 1.00 0.00 H ATOM 285 HE22 GLN A 16 -11.705 -1.864 -16.354 1.00 0.00 H ATOM 286 HE21 GLN A 16 -11.437 -0.086 -16.460 1.00 0.00 H ATOM 287 H GLN A 16 -17.109 -2.743 -17.154 1.00 0.00 H ATOM 288 N LYS A 17 -18.348 -2.326 -14.115 1.00 27.27 N ATOM 289 CA LYS A 17 -19.338 -2.220 -13.033 1.00 28.19 C ATOM 290 C LYS A 17 -19.847 -3.589 -12.583 1.00 27.47 C ATOM 291 O LYS A 17 -19.994 -3.835 -11.373 1.00 27.17 O ATOM 292 CB LYS A 17 -20.499 -1.292 -13.419 1.00 28.23 C ATOM 293 CG LYS A 17 -20.231 0.187 -13.127 1.00 29.21 C ATOM 294 CD LYS A 17 -21.495 1.018 -13.349 1.00 30.99 C ATOM 295 CE LYS A 17 -21.404 2.411 -12.705 1.00 35.22 C ATOM 296 NZ LYS A 17 -20.709 3.420 -13.566 1.00 37.43 N ATOM 297 HA LYS A 17 -18.826 -1.773 -12.181 1.00 0.00 H ATOM 298 HB2 LYS A 17 -20.688 -1.403 -14.487 1.00 0.00 H ATOM 299 HB3 LYS A 17 -21.384 -1.598 -12.861 1.00 0.00 H ATOM 300 HG2 LYS A 17 -19.908 0.295 -12.091 1.00 0.00 H ATOM 301 HG3 LYS A 17 -19.445 0.547 -13.791 1.00 0.00 H ATOM 302 HD2 LYS A 17 -21.651 1.138 -14.421 1.00 0.00 H ATOM 303 HD3 LYS A 17 -22.343 0.487 -12.916 1.00 0.00 H ATOM 304 HE2 LYS A 17 -20.858 2.323 -11.766 1.00 0.00 H ATOM 305 HE3 LYS A 17 -22.415 2.766 -12.504 1.00 0.00 H ATOM 306 HZ1 LYS A 17 -19.738 3.100 -13.758 1.00 0.00 H ATOM 307 HZ2 LYS A 17 -21.225 3.523 -14.463 1.00 0.00 H ATOM 308 HZ3 LYS A 17 -20.682 4.335 -13.073 1.00 0.00 H ATOM 309 H LYS A 17 -18.582 -1.941 -15.052 1.00 0.00 H ATOM 310 N LYS A 18 -20.101 -4.478 -13.542 1.00 26.49 N ATOM 311 CA LYS A 18 -20.446 -5.873 -13.248 1.00 26.84 C ATOM 312 C LYS A 18 -19.370 -6.560 -12.380 1.00 26.49 C ATOM 313 O LYS A 18 -19.686 -7.214 -11.380 1.00 25.29 O ATOM 314 CB LYS A 18 -20.674 -6.646 -14.559 1.00 27.36 C ATOM 315 CG LYS A 18 -20.583 -8.160 -14.459 1.00 30.12 C ATOM 316 CD LYS A 18 -21.290 -8.853 -15.603 1.00 31.99 C ATOM 317 CE LYS A 18 -21.400 -10.351 -15.353 1.00 35.80 C ATOM 318 NZ LYS A 18 -22.449 -10.982 -16.255 1.00 33.41 N ATOM 319 HA LYS A 18 -21.370 -5.877 -12.670 1.00 0.00 H ATOM 320 HB2 LYS A 18 -21.668 -6.394 -14.927 1.00 0.00 H ATOM 321 HB3 LYS A 18 -19.926 -6.313 -15.278 1.00 0.00 H ATOM 322 HG2 LYS A 18 -19.532 -8.450 -14.468 1.00 0.00 H ATOM 323 HG3 LYS A 18 -21.038 -8.478 -13.521 1.00 0.00 H ATOM 324 HD2 LYS A 18 -22.291 -8.435 -15.709 1.00 0.00 H ATOM 325 HD3 LYS A 18 -20.729 -8.686 -16.522 1.00 0.00 H ATOM 326 HE2 LYS A 18 -21.678 -10.519 -14.312 1.00 0.00 H ATOM 327 HE3 LYS A 18 -20.434 -10.817 -15.550 1.00 0.00 H ATOM 328 HZ1 LYS A 18 -23.374 -10.545 -16.068 1.00 0.00 H ATOM 329 HZ2 LYS A 18 -22.187 -10.829 -17.250 1.00 0.00 H ATOM 330 HZ3 LYS A 18 -22.502 -12.003 -16.062 1.00 0.00 H ATOM 331 H LYS A 18 -20.053 -4.172 -14.535 1.00 0.00 H ATOM 332 N ILE A 19 -18.112 -6.402 -12.789 1.00 26.26 N ATOM 333 CA ILE A 19 -16.957 -6.971 -12.100 1.00 26.38 C ATOM 334 C ILE A 19 -16.805 -6.416 -10.678 1.00 26.64 C ATOM 335 O ILE A 19 -16.525 -7.166 -9.740 1.00 26.82 O ATOM 336 CB ILE A 19 -15.661 -6.727 -12.911 1.00 26.21 C ATOM 337 CG1 ILE A 19 -15.618 -7.641 -14.144 1.00 26.65 C ATOM 338 CG2 ILE A 19 -14.395 -6.920 -12.024 1.00 25.48 C ATOM 339 CD1 ILE A 19 -14.621 -7.178 -15.196 1.00 28.58 C ATOM 340 HA ILE A 19 -17.129 -8.044 -12.019 1.00 0.00 H ATOM 341 HB ILE A 19 -15.665 -5.692 -13.253 1.00 0.00 H ATOM 342 HG12 ILE A 19 -15.342 -8.645 -13.822 1.00 0.00 H ATOM 343 HG13 ILE A 19 -16.611 -7.665 -14.593 1.00 0.00 H ATOM 344 HD11 ILE A 19 -14.891 -6.178 -15.535 1.00 0.00 H ATOM 345 HD12 ILE A 19 -13.621 -7.159 -14.763 1.00 0.00 H ATOM 346 HD13 ILE A 19 -14.640 -7.867 -16.041 1.00 0.00 H ATOM 347 HG21 ILE A 19 -14.424 -6.214 -11.194 1.00 0.00 H ATOM 348 HG22 ILE A 19 -14.376 -7.939 -11.637 1.00 0.00 H ATOM 349 HG23 ILE A 19 -13.502 -6.741 -12.623 1.00 0.00 H ATOM 350 H ILE A 19 -17.943 -5.841 -13.648 1.00 0.00 H ATOM 351 N GLU A 20 -16.960 -5.103 -10.525 1.00 26.76 N ATOM 352 CA GLU A 20 -16.865 -4.492 -9.194 1.00 27.34 C ATOM 353 C GLU A 20 -17.970 -4.990 -8.248 1.00 26.77 C ATOM 354 O GLU A 20 -17.727 -5.177 -7.052 1.00 25.14 O ATOM 355 CB GLU A 20 -16.883 -2.970 -9.277 1.00 28.08 C ATOM 356 CG GLU A 20 -15.581 -2.334 -9.759 1.00 31.79 C ATOM 357 CD GLU A 20 -14.538 -2.196 -8.663 1.00 37.01 C ATOM 358 OE1 GLU A 20 -13.903 -1.123 -8.586 1.00 39.91 O ATOM 359 OE2 GLU A 20 -14.348 -3.152 -7.873 1.00 41.04 O ATOM 360 HA GLU A 20 -15.907 -4.803 -8.777 1.00 0.00 H ATOM 361 HB2 GLU A 20 -17.677 -2.678 -9.964 1.00 0.00 H ATOM 362 HB3 GLU A 20 -17.103 -2.580 -8.283 1.00 0.00 H ATOM 363 HG2 GLU A 20 -15.167 -2.953 -10.555 1.00 0.00 H ATOM 364 HG3 GLU A 20 -15.805 -1.342 -10.151 1.00 0.00 H ATOM 365 H GLU A 20 -17.150 -4.506 -11.355 1.00 0.00 H ATOM 366 N ASN A 21 -19.175 -5.194 -8.783 1.00 26.52 N ATOM 367 CA ASN A 21 -20.267 -5.789 -7.998 1.00 26.91 C ATOM 368 C ASN A 21 -19.937 -7.225 -7.573 1.00 26.11 C ATOM 369 O ASN A 21 -20.282 -7.635 -6.467 1.00 25.93 O ATOM 370 CB ASN A 21 -21.592 -5.797 -8.780 1.00 27.70 C ATOM 371 CG ASN A 21 -22.189 -4.404 -8.978 1.00 30.70 C ATOM 372 OD1 ASN A 21 -21.927 -3.465 -8.205 1.00 35.86 O ATOM 373 ND2 ASN A 21 -23.023 -4.269 -10.013 1.00 31.46 N ATOM 374 HA ASN A 21 -20.379 -5.166 -7.111 1.00 0.00 H ATOM 375 HB2 ASN A 21 -21.412 -6.239 -9.760 1.00 0.00 H ATOM 376 HB3 ASN A 21 -22.312 -6.407 -8.234 1.00 0.00 H ATOM 377 HD22 ASN A 21 -23.215 -5.080 -10.635 1.00 0.00 H ATOM 378 HD21 ASN A 21 -23.480 -3.353 -10.196 1.00 0.00 H ATOM 379 H ASN A 21 -19.345 -4.927 -9.774 1.00 0.00 H ATOM 380 N GLU A 22 -19.291 -7.994 -8.453 1.00 24.93 N ATOM 381 CA GLU A 22 -18.924 -9.388 -8.135 1.00 25.40 C ATOM 382 C GLU A 22 -17.861 -9.400 -7.050 1.00 23.85 C ATOM 383 O GLU A 22 -17.900 -10.236 -6.150 1.00 23.44 O ATOM 384 CB GLU A 22 -18.369 -10.139 -9.343 1.00 25.03 C ATOM 385 CG GLU A 22 -19.197 -10.059 -10.618 1.00 27.80 C ATOM 386 CD GLU A 22 -18.505 -10.768 -11.776 1.00 28.85 C ATOM 387 OE1 GLU A 22 -18.538 -12.019 -11.809 1.00 35.55 O ATOM 388 OE2 GLU A 22 -17.909 -10.087 -12.643 1.00 34.45 O ATOM 389 HA GLU A 22 -19.837 -9.886 -7.808 1.00 0.00 H ATOM 390 HB2 GLU A 22 -17.380 -9.735 -9.561 1.00 0.00 H ATOM 391 HB3 GLU A 22 -18.278 -11.190 -9.069 1.00 0.00 H ATOM 392 HG2 GLU A 22 -20.165 -10.528 -10.442 1.00 0.00 H ATOM 393 HG3 GLU A 22 -19.344 -9.011 -10.880 1.00 0.00 H ATOM 394 H GLU A 22 -19.041 -7.602 -9.383 1.00 0.00 H ATOM 395 N ILE A 23 -16.915 -8.469 -7.164 1.00 23.18 N ATOM 396 CA ILE A 23 -15.826 -8.320 -6.203 1.00 22.70 C ATOM 397 C ILE A 23 -16.405 -7.982 -4.829 1.00 22.16 C ATOM 398 O ILE A 23 -15.997 -8.558 -3.836 1.00 21.74 O ATOM 399 CB ILE A 23 -14.758 -7.266 -6.695 1.00 22.37 C ATOM 400 CG1 ILE A 23 -13.863 -7.879 -7.792 1.00 21.79 C ATOM 401 CG2 ILE A 23 -13.922 -6.692 -5.532 1.00 22.34 C ATOM 402 CD1 ILE A 23 -12.870 -6.869 -8.412 1.00 23.09 C ATOM 403 HA ILE A 23 -15.288 -9.264 -6.118 1.00 0.00 H ATOM 404 HB ILE A 23 -15.300 -6.424 -7.126 1.00 0.00 H ATOM 405 HG12 ILE A 23 -13.294 -8.699 -7.355 1.00 0.00 H ATOM 406 HG13 ILE A 23 -14.504 -8.265 -8.585 1.00 0.00 H ATOM 407 HD11 ILE A 23 -13.425 -6.047 -8.864 1.00 0.00 H ATOM 408 HD12 ILE A 23 -12.214 -6.482 -7.633 1.00 0.00 H ATOM 409 HD13 ILE A 23 -12.274 -7.369 -9.175 1.00 0.00 H ATOM 410 HG21 ILE A 23 -14.583 -6.197 -4.821 1.00 0.00 H ATOM 411 HG22 ILE A 23 -13.392 -7.503 -5.033 1.00 0.00 H ATOM 412 HG23 ILE A 23 -13.203 -5.973 -5.924 1.00 0.00 H ATOM 413 H ILE A 23 -16.954 -7.819 -7.975 1.00 0.00 H ATOM 414 N ALA A 24 -17.361 -7.055 -4.777 1.00 21.90 N ATOM 415 CA ALA A 24 -18.017 -6.727 -3.513 1.00 21.98 C ATOM 416 C ALA A 24 -18.724 -7.945 -2.877 1.00 21.56 C ATOM 417 O ALA A 24 -18.651 -8.151 -1.670 1.00 21.86 O ATOM 418 CB ALA A 24 -18.988 -5.536 -3.696 1.00 21.72 C ATOM 419 HA ALA A 24 -17.237 -6.429 -2.812 1.00 0.00 H ATOM 420 HB1 ALA A 24 -18.431 -4.665 -4.042 1.00 0.00 H ATOM 421 HB2 ALA A 24 -19.748 -5.799 -4.431 1.00 0.00 H ATOM 422 HB3 ALA A 24 -19.466 -5.308 -2.743 1.00 0.00 H ATOM 423 H ALA A 24 -17.644 -6.559 -5.646 1.00 0.00 H ATOM 424 N ARG A 25 -19.391 -8.758 -3.684 1.00 21.62 N ATOM 425 CA ARG A 25 -19.986 -10.014 -3.200 1.00 23.08 C ATOM 426 C ARG A 25 -18.948 -11.029 -2.702 1.00 21.92 C ATOM 427 O ARG A 25 -19.148 -11.668 -1.658 1.00 21.95 O ATOM 428 CB ARG A 25 -20.861 -10.668 -4.288 1.00 23.19 C ATOM 429 CG ARG A 25 -22.111 -9.909 -4.648 1.00 26.86 C ATOM 430 CD ARG A 25 -22.788 -10.549 -5.879 1.00 27.37 C ATOM 431 NE ARG A 25 -23.564 -11.734 -5.522 1.00 37.61 N ATOM 432 CZ ARG A 25 -23.181 -13.002 -5.694 1.00 39.66 C ATOM 433 NH1 ARG A 25 -22.011 -13.301 -6.246 1.00 42.16 N ATOM 434 NH2 ARG A 25 -23.992 -13.982 -5.321 1.00 41.58 N ATOM 435 HA ARG A 25 -20.603 -9.735 -2.346 1.00 0.00 H ATOM 436 HB2 ARG A 25 -20.257 -10.771 -5.190 1.00 0.00 H ATOM 437 HB3 ARG A 25 -21.156 -11.656 -3.935 1.00 0.00 H ATOM 438 HG2 ARG A 25 -22.801 -9.931 -3.805 1.00 0.00 H ATOM 439 HG3 ARG A 25 -21.852 -8.875 -4.876 1.00 0.00 H ATOM 440 HD2 ARG A 25 -22.018 -10.835 -6.596 1.00 0.00 H ATOM 441 HD3 ARG A 25 -23.454 -9.816 -6.336 1.00 0.00 H ATOM 442 HE ARG A 25 -24.499 -11.576 -5.095 1.00 0.00 H ATOM 443 HH12 ARG A 25 -21.734 -14.296 -6.370 1.00 0.00 H ATOM 444 HH11 ARG A 25 -21.372 -12.541 -6.554 1.00 0.00 H ATOM 445 HH22 ARG A 25 -23.704 -14.973 -5.450 1.00 0.00 H ATOM 446 HH21 ARG A 25 -24.916 -13.760 -4.899 1.00 0.00 H ATOM 447 H ARG A 25 -19.497 -8.501 -4.686 1.00 0.00 H ATOM 448 N ILE A 26 -17.838 -11.165 -3.429 1.00 21.34 N ATOM 449 CA ILE A 26 -16.747 -12.073 -3.030 1.00 20.61 C ATOM 450 C ILE A 26 -16.180 -11.625 -1.683 1.00 20.90 C ATOM 451 O ILE A 26 -16.022 -12.452 -0.780 1.00 19.98 O ATOM 452 CB ILE A 26 -15.612 -12.184 -4.107 1.00 20.77 C ATOM 453 CG1 ILE A 26 -16.099 -12.934 -5.359 1.00 20.87 C ATOM 454 CG2 ILE A 26 -14.367 -12.912 -3.529 1.00 19.77 C ATOM 455 CD1 ILE A 26 -15.292 -12.618 -6.653 1.00 21.57 C ATOM 456 HA ILE A 26 -17.170 -13.073 -2.939 1.00 0.00 H ATOM 457 HB ILE A 26 -15.338 -11.167 -4.388 1.00 0.00 H ATOM 458 HG12 ILE A 26 -16.027 -14.004 -5.165 1.00 0.00 H ATOM 459 HG13 ILE A 26 -17.141 -12.667 -5.533 1.00 0.00 H ATOM 460 HD11 ILE A 26 -15.362 -11.553 -6.872 1.00 0.00 H ATOM 461 HD12 ILE A 26 -14.247 -12.891 -6.504 1.00 0.00 H ATOM 462 HD13 ILE A 26 -15.703 -13.190 -7.485 1.00 0.00 H ATOM 463 HG21 ILE A 26 -13.986 -12.354 -2.674 1.00 0.00 H ATOM 464 HG22 ILE A 26 -14.649 -13.916 -3.212 1.00 0.00 H ATOM 465 HG23 ILE A 26 -13.596 -12.975 -4.297 1.00 0.00 H ATOM 466 H ILE A 26 -17.739 -10.613 -4.305 1.00 0.00 H ATOM 467 N LYS A 27 -15.913 -10.324 -1.540 1.00 20.88 N ATOM 468 CA LYS A 27 -15.356 -9.779 -0.281 1.00 21.58 C ATOM 469 C LYS A 27 -16.242 -10.080 0.932 1.00 20.73 C ATOM 470 O LYS A 27 -15.733 -10.453 1.975 1.00 21.43 O ATOM 471 CB LYS A 27 -15.108 -8.267 -0.378 1.00 21.21 C ATOM 472 CG LYS A 27 -14.008 -7.817 -1.336 1.00 23.29 C ATOM 473 CD LYS A 27 -14.032 -6.268 -1.449 1.00 25.15 C ATOM 474 CE LYS A 27 -12.643 -5.650 -1.475 1.00 31.76 C ATOM 475 NZ LYS A 27 -11.660 -6.377 -2.369 1.00 35.95 N ATOM 476 HA LYS A 27 -14.402 -10.285 -0.135 1.00 0.00 H ATOM 477 HB2 LYS A 27 -16.039 -7.798 -0.698 1.00 0.00 H ATOM 478 HB3 LYS A 27 -14.847 -7.909 0.618 1.00 0.00 H ATOM 479 HG2 LYS A 27 -13.039 -8.140 -0.956 1.00 0.00 H ATOM 480 HG3 LYS A 27 -14.177 -8.257 -2.319 1.00 0.00 H ATOM 481 HD2 LYS A 27 -14.551 -5.995 -2.368 1.00 0.00 H ATOM 482 HD3 LYS A 27 -14.575 -5.866 -0.594 1.00 0.00 H ATOM 483 HE2 LYS A 27 -12.248 -5.651 -0.459 1.00 0.00 H ATOM 484 HE3 LYS A 27 -12.732 -4.622 -1.827 1.00 0.00 H ATOM 485 HZ1 LYS A 27 -11.553 -7.358 -2.040 1.00 0.00 H ATOM 486 HZ2 LYS A 27 -12.015 -6.375 -3.346 1.00 0.00 H ATOM 487 HZ3 LYS A 27 -10.739 -5.896 -2.333 1.00 0.00 H ATOM 488 H LYS A 27 -16.101 -9.678 -2.333 1.00 0.00 H ATOM 489 N LYS A 28 -17.560 -9.919 0.792 1.00 20.38 N ATOM 490 CA LYS A 28 -18.522 -10.273 1.850 1.00 21.10 C ATOM 491 C LYS A 28 -18.461 -11.743 2.271 1.00 19.32 C ATOM 492 O LYS A 28 -18.446 -12.050 3.472 1.00 17.97 O ATOM 493 CB LYS A 28 -19.969 -9.894 1.477 1.00 20.91 C ATOM 494 CG LYS A 28 -20.215 -8.383 1.331 1.00 23.67 C ATOM 495 CD LYS A 28 -21.705 -7.999 1.193 1.00 25.06 C ATOM 496 CE LYS A 28 -22.326 -8.416 -0.147 1.00 31.03 C ATOM 497 NZ LYS A 28 -23.318 -9.552 -0.056 1.00 30.98 N ATOM 498 HA LYS A 28 -18.214 -9.678 2.709 1.00 0.00 H ATOM 499 HB2 LYS A 28 -20.213 -10.372 0.528 1.00 0.00 H ATOM 500 HB3 LYS A 28 -20.632 -10.274 2.255 1.00 0.00 H ATOM 501 HG2 LYS A 28 -19.812 -7.883 2.212 1.00 0.00 H ATOM 502 HG3 LYS A 28 -19.687 -8.034 0.444 1.00 0.00 H ATOM 503 HD2 LYS A 28 -22.261 -8.482 1.996 1.00 0.00 H ATOM 504 HD3 LYS A 28 -21.793 -6.917 1.292 1.00 0.00 H ATOM 505 HE2 LYS A 28 -21.520 -8.721 -0.815 1.00 0.00 H ATOM 506 HE3 LYS A 28 -22.838 -7.551 -0.568 1.00 0.00 H ATOM 507 HZ1 LYS A 28 -22.845 -10.393 0.332 1.00 0.00 H ATOM 508 HZ2 LYS A 28 -24.103 -9.276 0.567 1.00 0.00 H ATOM 509 HZ3 LYS A 28 -23.686 -9.766 -1.005 1.00 0.00 H ATOM 510 H LYS A 28 -17.922 -9.528 -0.101 1.00 0.00 H ATOM 511 N LEU A 29 -18.441 -12.649 1.298 1.00 18.51 N ATOM 512 CA LEU A 29 -18.373 -14.071 1.627 1.00 18.63 C ATOM 513 C LEU A 29 -17.006 -14.433 2.221 1.00 18.92 C ATOM 514 O LEU A 29 -16.911 -15.244 3.162 1.00 18.49 O ATOM 515 CB LEU A 29 -18.710 -14.956 0.421 1.00 17.82 C ATOM 516 CG LEU A 29 -18.632 -16.484 0.626 1.00 18.73 C ATOM 517 CD1 LEU A 29 -19.452 -16.977 1.868 1.00 17.17 C ATOM 518 CD2 LEU A 29 -19.112 -17.194 -0.677 1.00 17.89 C ATOM 519 HA LEU A 29 -19.132 -14.265 2.385 1.00 0.00 H ATOM 520 HB2 LEU A 29 -19.728 -14.717 0.113 1.00 0.00 H ATOM 521 HB3 LEU A 29 -18.019 -14.696 -0.381 1.00 0.00 H ATOM 522 HG LEU A 29 -17.594 -16.743 0.833 1.00 0.00 H ATOM 523 HD21 LEU A 29 -20.140 -16.902 -0.890 1.00 0.00 H ATOM 524 HD22 LEU A 29 -18.470 -16.900 -1.507 1.00 0.00 H ATOM 525 HD23 LEU A 29 -19.060 -18.274 -0.541 1.00 0.00 H ATOM 526 HD11 LEU A 29 -19.066 -16.501 2.769 1.00 0.00 H ATOM 527 HD12 LEU A 29 -20.501 -16.713 1.737 1.00 0.00 H ATOM 528 HD13 LEU A 29 -19.357 -18.059 1.958 1.00 0.00 H ATOM 529 H LEU A 29 -18.474 -12.346 0.304 1.00 0.00 H ATOM 530 N LEU A 30 -15.954 -13.828 1.684 1.00 19.61 N ATOM 531 CA LEU A 30 -14.626 -14.009 2.266 1.00 20.66 C ATOM 532 C LEU A 30 -14.592 -13.630 3.722 1.00 20.49 C ATOM 533 O LEU A 30 -13.957 -14.302 4.526 1.00 21.26 O ATOM 534 CB LEU A 30 -13.581 -13.158 1.557 1.00 20.82 C ATOM 535 CG LEU A 30 -12.671 -13.843 0.564 1.00 21.76 C ATOM 536 CD1 LEU A 30 -11.736 -12.798 -0.019 1.00 22.10 C ATOM 537 CD2 LEU A 30 -11.908 -15.031 1.204 1.00 21.79 C ATOM 538 HA LEU A 30 -14.399 -15.069 2.149 1.00 0.00 H ATOM 539 HB2 LEU A 30 -14.111 -12.370 1.023 1.00 0.00 H ATOM 540 HB3 LEU A 30 -12.948 -12.713 2.325 1.00 0.00 H ATOM 541 HG LEU A 30 -13.263 -14.282 -0.239 1.00 0.00 H ATOM 542 HD21 LEU A 30 -11.299 -14.667 2.031 1.00 0.00 H ATOM 543 HD22 LEU A 30 -12.625 -15.764 1.574 1.00 0.00 H ATOM 544 HD23 LEU A 30 -11.266 -15.494 0.455 1.00 0.00 H ATOM 545 HD11 LEU A 30 -12.322 -12.025 -0.517 1.00 0.00 H ATOM 546 HD12 LEU A 30 -11.149 -12.350 0.783 1.00 0.00 H ATOM 547 HD13 LEU A 30 -11.069 -13.271 -0.740 1.00 0.00 H ATOM 548 H LEU A 30 -16.075 -13.223 0.847 1.00 0.00 H ATOM 549 N GLN A 31 -15.216 -12.510 4.062 1.00 20.62 N ATOM 550 CA GLN A 31 -15.194 -12.071 5.453 1.00 20.23 C ATOM 551 C GLN A 31 -15.916 -13.062 6.343 1.00 18.78 C ATOM 552 O GLN A 31 -15.470 -13.318 7.455 1.00 18.36 O ATOM 553 CB GLN A 31 -15.731 -10.654 5.630 1.00 20.83 C ATOM 554 CG GLN A 31 -14.979 -9.498 4.895 1.00 25.14 C ATOM 555 CD GLN A 31 -13.533 -9.772 4.448 1.00 29.80 C ATOM 556 OE1 GLN A 31 -12.616 -9.883 5.283 1.00 32.30 O ATOM 557 NE2 GLN A 31 -13.313 -9.810 3.102 1.00 28.12 N ATOM 558 HA GLN A 31 -14.149 -12.039 5.763 1.00 0.00 H ATOM 559 HB2 GLN A 31 -16.762 -10.649 5.276 1.00 0.00 H ATOM 560 HB3 GLN A 31 -15.713 -10.429 6.696 1.00 0.00 H ATOM 561 HG2 GLN A 31 -15.555 -9.245 4.005 1.00 0.00 H ATOM 562 HG3 GLN A 31 -14.958 -8.641 5.568 1.00 0.00 H ATOM 563 HE22 GLN A 31 -14.111 -9.713 2.442 1.00 0.00 H ATOM 564 HE21 GLN A 31 -12.348 -9.936 2.736 1.00 0.00 H ATOM 565 H GLN A 31 -15.717 -11.950 3.343 1.00 0.00 H ATOM 566 N LEU A 32 -17.007 -13.643 5.837 1.00 17.59 N ATOM 567 CA LEU A 32 -17.678 -14.766 6.492 1.00 17.31 C ATOM 568 C LEU A 32 -16.796 -15.986 6.706 1.00 16.64 C ATOM 569 O LEU A 32 -16.782 -16.536 7.804 1.00 16.33 O ATOM 570 CB LEU A 32 -18.943 -15.200 5.737 1.00 16.13 C ATOM 571 CG LEU A 32 -20.119 -14.212 5.778 1.00 17.80 C ATOM 572 CD1 LEU A 32 -21.187 -14.662 4.796 1.00 18.88 C ATOM 573 CD2 LEU A 32 -20.682 -14.147 7.188 1.00 20.86 C ATOM 574 HA LEU A 32 -17.943 -14.376 7.475 1.00 0.00 H ATOM 575 HB2 LEU A 32 -18.673 -15.355 4.693 1.00 0.00 H ATOM 576 HB3 LEU A 32 -19.283 -16.142 6.167 1.00 0.00 H ATOM 577 HG LEU A 32 -19.777 -13.217 5.495 1.00 0.00 H ATOM 578 HD21 LEU A 32 -21.029 -15.137 7.485 1.00 0.00 H ATOM 579 HD22 LEU A 32 -19.903 -13.813 7.874 1.00 0.00 H ATOM 580 HD23 LEU A 32 -21.516 -13.445 7.213 1.00 0.00 H ATOM 581 HD11 LEU A 32 -20.767 -14.688 3.791 1.00 0.00 H ATOM 582 HD12 LEU A 32 -21.536 -15.657 5.071 1.00 0.00 H ATOM 583 HD13 LEU A 32 -22.022 -13.962 4.824 1.00 0.00 H ATOM 584 H LEU A 32 -17.395 -13.283 4.942 1.00 0.00 H ATOM 585 N THR A 33 -16.085 -16.431 5.675 1.00 15.78 N ATOM 586 CA THR A 33 -15.207 -17.602 5.863 1.00 16.88 C ATOM 587 C THR A 33 -14.061 -17.319 6.847 1.00 17.10 C ATOM 588 O THR A 33 -13.692 -18.183 7.657 1.00 17.62 O ATOM 589 CB THR A 33 -14.650 -18.169 4.533 1.00 16.78 C ATOM 590 OG1 THR A 33 -13.819 -17.192 3.897 1.00 17.63 O ATOM 591 CG2 THR A 33 -15.792 -18.610 3.588 1.00 15.60 C ATOM 592 HA THR A 33 -15.847 -18.370 6.297 1.00 0.00 H ATOM 593 HB THR A 33 -14.052 -19.051 4.761 1.00 0.00 H ATOM 594 HG1 THR A 33 -13.467 -17.562 3.049 1.00 0.00 H ATOM 595 HG23 THR A 33 -16.412 -19.353 4.091 1.00 0.00 H ATOM 596 HG21 THR A 33 -16.400 -17.744 3.327 1.00 0.00 H ATOM 597 HG22 THR A 33 -15.366 -19.043 2.683 1.00 0.00 H ATOM 598 H THR A 33 -16.147 -15.961 4.749 1.00 0.00 H ATOM 599 N VAL A 34 -13.511 -16.105 6.791 1.00 17.29 N ATOM 600 CA VAL A 34 -12.519 -15.663 7.787 1.00 17.30 C ATOM 601 C VAL A 34 -13.079 -15.811 9.210 1.00 17.63 C ATOM 602 O VAL A 34 -12.404 -16.367 10.102 1.00 17.63 O ATOM 603 CB VAL A 34 -12.040 -14.210 7.526 1.00 17.10 C ATOM 604 CG1 VAL A 34 -11.147 -13.688 8.689 1.00 18.51 C ATOM 605 CG2 VAL A 34 -11.258 -14.143 6.195 1.00 17.32 C ATOM 606 HA VAL A 34 -11.647 -16.309 7.689 1.00 0.00 H ATOM 607 HB VAL A 34 -12.922 -13.572 7.464 1.00 0.00 H ATOM 608 HG11 VAL A 34 -11.717 -13.703 9.618 1.00 0.00 H ATOM 609 HG12 VAL A 34 -10.271 -14.329 8.788 1.00 0.00 H ATOM 610 HG13 VAL A 34 -10.830 -12.668 8.472 1.00 0.00 H ATOM 611 HG21 VAL A 34 -10.392 -14.803 6.250 1.00 0.00 H ATOM 612 HG22 VAL A 34 -11.906 -14.460 5.378 1.00 0.00 H ATOM 613 HG23 VAL A 34 -10.926 -13.119 6.021 1.00 0.00 H ATOM 614 H VAL A 34 -13.789 -15.456 6.027 1.00 0.00 H ATOM 615 N TRP A 35 -14.316 -15.348 9.409 1.00 16.89 N ATOM 616 CA TRP A 35 -14.945 -15.412 10.722 1.00 18.28 C ATOM 617 C TRP A 35 -15.148 -16.878 11.140 1.00 17.58 C ATOM 618 O TRP A 35 -14.917 -17.229 12.291 1.00 17.89 O ATOM 619 CB TRP A 35 -16.274 -14.616 10.735 1.00 18.06 C ATOM 620 CG TRP A 35 -17.006 -14.671 12.065 1.00 20.05 C ATOM 621 CD1 TRP A 35 -16.879 -13.794 13.104 1.00 18.92 C ATOM 622 CD2 TRP A 35 -17.950 -15.669 12.490 1.00 19.79 C ATOM 623 NE1 TRP A 35 -17.686 -14.184 14.159 1.00 21.97 N ATOM 624 CE2 TRP A 35 -18.360 -15.325 13.802 1.00 21.06 C ATOM 625 CE3 TRP A 35 -18.489 -16.822 11.888 1.00 20.17 C ATOM 626 CZ2 TRP A 35 -19.283 -16.085 14.519 1.00 20.58 C ATOM 627 CZ3 TRP A 35 -19.410 -17.577 12.603 1.00 19.93 C ATOM 628 CH2 TRP A 35 -19.796 -17.206 13.909 1.00 20.51 C ATOM 629 HA TRP A 35 -14.286 -14.945 11.454 1.00 0.00 H ATOM 630 HB2 TRP A 35 -16.053 -13.573 10.506 1.00 0.00 H ATOM 631 HB3 TRP A 35 -16.928 -15.025 9.965 1.00 0.00 H ATOM 632 HE1 TRP A 35 -17.768 -13.693 15.072 1.00 0.00 H ATOM 633 HD1 TRP A 35 -16.235 -12.914 13.103 1.00 0.00 H ATOM 634 HZ2 TRP A 35 -19.587 -15.801 15.526 1.00 0.00 H ATOM 635 HH2 TRP A 35 -20.517 -17.822 14.446 1.00 0.00 H ATOM 636 HZ3 TRP A 35 -19.841 -18.469 12.149 1.00 0.00 H ATOM 637 HE3 TRP A 35 -18.190 -17.116 10.882 1.00 0.00 H ATOM 638 H TRP A 35 -14.840 -14.934 8.612 1.00 0.00 H ATOM 639 N GLY A 36 -15.568 -17.724 10.202 1.00 17.12 N ATOM 640 CA GLY A 36 -15.881 -19.139 10.500 1.00 16.19 C ATOM 641 C GLY A 36 -14.619 -19.920 10.898 1.00 16.40 C ATOM 642 O GLY A 36 -14.652 -20.727 11.816 1.00 14.95 O ATOM 643 HA3 GLY A 36 -16.319 -19.600 9.615 1.00 0.00 H ATOM 644 HA2 GLY A 36 -16.597 -19.179 11.321 1.00 0.00 H ATOM 645 H GLY A 36 -15.680 -17.379 9.227 1.00 0.00 H ATOM 646 N ILE A 37 -13.516 -19.683 10.189 1.00 15.82 N ATOM 647 CA ILE A 37 -12.226 -20.336 10.497 1.00 16.39 C ATOM 648 C ILE A 37 -11.745 -19.939 11.892 1.00 16.36 C ATOM 649 O ILE A 37 -11.319 -20.806 12.657 1.00 16.39 O ATOM 650 CB ILE A 37 -11.138 -20.058 9.430 1.00 15.81 C ATOM 651 CG1 ILE A 37 -11.558 -20.644 8.076 1.00 16.77 C ATOM 652 CG2 ILE A 37 -9.788 -20.676 9.841 1.00 18.02 C ATOM 653 CD1 ILE A 37 -10.777 -20.066 6.880 1.00 16.00 C ATOM 654 HA ILE A 37 -12.402 -21.411 10.478 1.00 0.00 H ATOM 655 HB ILE A 37 -11.026 -18.977 9.348 1.00 0.00 H ATOM 656 HG12 ILE A 37 -11.398 -21.722 8.103 1.00 0.00 H ATOM 657 HG13 ILE A 37 -12.618 -20.439 7.926 1.00 0.00 H ATOM 658 HD11 ILE A 37 -10.936 -18.989 6.831 1.00 0.00 H ATOM 659 HD12 ILE A 37 -9.714 -20.273 7.008 1.00 0.00 H ATOM 660 HD13 ILE A 37 -11.131 -20.529 5.959 1.00 0.00 H ATOM 661 HG21 ILE A 37 -9.466 -20.245 10.789 1.00 0.00 H ATOM 662 HG22 ILE A 37 -9.902 -21.754 9.951 1.00 0.00 H ATOM 663 HG23 ILE A 37 -9.044 -20.464 9.073 1.00 0.00 H ATOM 664 H ILE A 37 -13.564 -19.016 9.392 1.00 0.00 H ATOM 665 N LYS A 38 -11.846 -18.637 12.202 1.00 16.63 N ATOM 666 CA LYS A 38 -11.509 -18.074 13.510 1.00 18.32 C ATOM 667 C LYS A 38 -12.308 -18.762 14.605 1.00 18.06 C ATOM 668 O LYS A 38 -11.752 -19.094 15.655 1.00 16.74 O ATOM 669 CB LYS A 38 -11.768 -16.554 13.531 1.00 17.55 C ATOM 670 CG LYS A 38 -11.124 -15.792 14.688 1.00 22.50 C ATOM 671 CD LYS A 38 -11.016 -14.316 14.315 1.00 26.56 C ATOM 672 CE LYS A 38 -10.824 -13.355 15.510 1.00 30.04 C ATOM 673 NZ LYS A 38 -10.231 -13.940 16.720 1.00 30.59 N ATOM 674 HA LYS A 38 -10.448 -18.244 13.694 1.00 0.00 H ATOM 675 HB2 LYS A 38 -11.387 -16.135 12.600 1.00 0.00 H ATOM 676 HB3 LYS A 38 -12.845 -16.398 13.584 1.00 0.00 H ATOM 677 HG2 LYS A 38 -11.738 -15.899 15.582 1.00 0.00 H ATOM 678 HG3 LYS A 38 -10.129 -16.194 14.881 1.00 0.00 H ATOM 679 HD2 LYS A 38 -10.165 -14.197 13.645 1.00 0.00 H ATOM 680 HD3 LYS A 38 -11.930 -14.030 13.794 1.00 0.00 H ATOM 681 HE2 LYS A 38 -11.802 -12.956 15.778 1.00 0.00 H ATOM 682 HE3 LYS A 38 -10.178 -12.540 15.182 1.00 0.00 H ATOM 683 HZ1 LYS A 38 -10.838 -14.711 17.064 1.00 0.00 H ATOM 684 HZ2 LYS A 38 -9.287 -14.314 16.496 1.00 0.00 H ATOM 685 HZ3 LYS A 38 -10.150 -13.207 17.454 1.00 0.00 H ATOM 686 H LYS A 38 -12.186 -17.986 11.465 1.00 0.00 H ATOM 687 N GLN A 39 -13.599 -19.000 14.346 1.00 19.17 N ATOM 688 CA GLN A 39 -14.470 -19.667 15.337 1.00 19.95 C ATOM 689 C GLN A 39 -14.068 -21.122 15.550 1.00 19.99 C ATOM 690 O GLN A 39 -13.958 -21.576 16.699 1.00 19.77 O ATOM 691 CB GLN A 39 -15.951 -19.577 14.956 1.00 21.18 C ATOM 692 CG GLN A 39 -16.412 -18.187 14.565 1.00 23.62 C ATOM 693 CD GLN A 39 -15.950 -17.105 15.521 1.00 27.37 C ATOM 694 OE1 GLN A 39 -15.154 -16.208 15.146 1.00 28.83 O ATOM 695 NE2 GLN A 39 -16.430 -17.180 16.769 1.00 26.37 N ATOM 696 HA GLN A 39 -14.333 -19.131 16.276 1.00 0.00 H ATOM 697 HB2 GLN A 39 -16.128 -20.245 14.113 1.00 0.00 H ATOM 698 HB3 GLN A 39 -16.544 -19.906 15.810 1.00 0.00 H ATOM 699 HG2 GLN A 39 -16.022 -17.960 13.573 1.00 0.00 H ATOM 700 HG3 GLN A 39 -17.502 -18.180 14.536 1.00 0.00 H ATOM 701 HE22 GLN A 39 -17.087 -17.943 17.028 1.00 0.00 H ATOM 702 HE21 GLN A 39 -16.146 -16.475 17.479 1.00 0.00 H ATOM 703 H GLN A 39 -13.997 -18.710 13.430 1.00 0.00 H ATOM 704 N LEU A 40 -13.808 -21.838 14.454 1.00 19.24 N ATOM 705 CA LEU A 40 -13.360 -23.240 14.526 1.00 19.67 C ATOM 706 C LEU A 40 -12.029 -23.420 15.236 1.00 20.37 C ATOM 707 O LEU A 40 -11.859 -24.343 16.065 1.00 20.50 O ATOM 708 CB LEU A 40 -13.275 -23.870 13.130 1.00 20.48 C ATOM 709 CG LEU A 40 -14.633 -23.944 12.425 1.00 20.47 C ATOM 710 CD1 LEU A 40 -14.515 -24.755 11.177 1.00 23.07 C ATOM 711 CD2 LEU A 40 -15.724 -24.503 13.375 1.00 20.62 C ATOM 712 HA LEU A 40 -14.118 -23.750 15.120 1.00 0.00 H ATOM 713 HB2 LEU A 40 -12.598 -23.273 12.519 1.00 0.00 H ATOM 714 HB3 LEU A 40 -12.878 -24.880 13.228 1.00 0.00 H ATOM 715 HG LEU A 40 -14.942 -22.937 12.146 1.00 0.00 H ATOM 716 HD21 LEU A 40 -15.443 -25.505 13.699 1.00 0.00 H ATOM 717 HD22 LEU A 40 -15.816 -23.851 14.244 1.00 0.00 H ATOM 718 HD23 LEU A 40 -16.677 -24.544 12.847 1.00 0.00 H ATOM 719 HD11 LEU A 40 -13.788 -24.290 10.511 1.00 0.00 H ATOM 720 HD12 LEU A 40 -14.185 -25.763 11.430 1.00 0.00 H ATOM 721 HD13 LEU A 40 -15.485 -24.802 10.683 1.00 0.00 H ATOM 722 H LEU A 40 -13.925 -21.393 13.521 1.00 0.00 H ATOM 723 N GLN A 41 -11.081 -22.554 14.913 1.00 19.70 N ATOM 724 CA GLN A 41 -9.785 -22.611 15.568 1.00 20.78 C ATOM 725 C GLN A 41 -9.961 -22.444 17.079 1.00 21.50 C ATOM 726 O GLN A 41 -9.393 -23.204 17.873 1.00 22.04 O ATOM 727 CB GLN A 41 -8.855 -21.536 15.023 1.00 19.59 C ATOM 728 CG GLN A 41 -7.469 -21.557 15.692 1.00 20.06 C ATOM 729 CD GLN A 41 -6.634 -20.395 15.278 1.00 19.94 C ATOM 730 OE1 GLN A 41 -7.135 -19.281 15.178 1.00 22.45 O ATOM 731 NE2 GLN A 41 -5.341 -20.632 15.041 1.00 21.53 N ATOM 732 HA GLN A 41 -9.335 -23.583 15.365 1.00 0.00 H ATOM 733 HB2 GLN A 41 -8.728 -21.694 13.952 1.00 0.00 H ATOM 734 HB3 GLN A 41 -9.311 -20.561 15.194 1.00 0.00 H ATOM 735 HG2 GLN A 41 -7.599 -21.530 16.774 1.00 0.00 H ATOM 736 HG3 GLN A 41 -6.956 -22.477 15.412 1.00 0.00 H ATOM 737 HE22 GLN A 41 -4.962 -21.596 15.139 1.00 0.00 H ATOM 738 HE21 GLN A 41 -4.713 -19.853 14.758 1.00 0.00 H ATOM 739 H GLN A 41 -11.264 -21.831 14.188 1.00 0.00 H ATOM 740 N ALA A 42 -10.728 -21.441 17.470 1.00 22.39 N ATOM 741 CA ALA A 42 -10.960 -21.181 18.889 1.00 25.24 C ATOM 742 C ALA A 42 -11.607 -22.387 19.578 1.00 26.28 C ATOM 743 O ALA A 42 -11.232 -22.750 20.697 1.00 27.19 O ATOM 744 CB ALA A 42 -11.795 -19.934 19.056 1.00 24.58 C ATOM 745 HA ALA A 42 -9.997 -21.017 19.373 1.00 0.00 H ATOM 746 HB1 ALA A 42 -11.271 -19.086 18.616 1.00 0.00 H ATOM 747 HB2 ALA A 42 -12.753 -20.070 18.554 1.00 0.00 H ATOM 748 HB3 ALA A 42 -11.962 -19.749 20.117 1.00 0.00 H ATOM 749 H ALA A 42 -11.173 -20.828 16.757 1.00 0.00 H ATOM 750 N ARG A 43 -12.554 -23.027 18.898 1.00 28.77 N ATOM 751 CA ARG A 43 -13.226 -24.199 19.442 1.00 31.50 C ATOM 752 C ARG A 43 -12.276 -25.374 19.641 1.00 32.68 C ATOM 753 O ARG A 43 -12.316 -26.019 20.679 1.00 32.63 O ATOM 754 CB ARG A 43 -14.436 -24.610 18.592 1.00 31.40 C ATOM 755 CG ARG A 43 -15.448 -25.470 19.389 1.00 33.84 C ATOM 756 CD ARG A 43 -16.630 -25.891 18.563 1.00 34.96 C ATOM 757 NE ARG A 43 -17.734 -24.927 18.635 1.00 42.14 N ATOM 758 CZ ARG A 43 -18.739 -24.999 19.509 1.00 42.96 C ATOM 759 NH1 ARG A 43 -18.791 -25.993 20.382 1.00 44.66 N ATOM 760 NH2 ARG A 43 -19.703 -24.080 19.499 1.00 44.05 N ATOM 761 HA ARG A 43 -13.592 -23.910 20.427 1.00 0.00 H ATOM 762 HB2 ARG A 43 -14.940 -23.710 18.241 1.00 0.00 H ATOM 763 HB3 ARG A 43 -14.084 -25.185 17.736 1.00 0.00 H ATOM 764 HG2 ARG A 43 -14.938 -26.364 19.750 1.00 0.00 H ATOM 765 HG3 ARG A 43 -15.806 -24.889 20.239 1.00 0.00 H ATOM 766 HD2 ARG A 43 -16.984 -26.857 18.924 1.00 0.00 H ATOM 767 HD3 ARG A 43 -16.315 -25.986 17.524 1.00 0.00 H ATOM 768 HE ARG A 43 -17.733 -24.136 17.960 1.00 0.00 H ATOM 769 HH12 ARG A 43 -19.576 -26.047 21.062 1.00 0.00 H ATOM 770 HH11 ARG A 43 -18.047 -26.720 20.387 1.00 0.00 H ATOM 771 HH22 ARG A 43 -20.485 -24.139 20.182 1.00 0.00 H ATOM 772 HH21 ARG A 43 -19.674 -23.303 18.808 1.00 0.00 H ATOM 773 H ARG A 43 -12.821 -22.682 17.954 1.00 0.00 H ATOM 774 N ILE A 44 -11.413 -25.655 18.667 1.00 34.28 N ATOM 775 CA ILE A 44 -10.531 -26.816 18.792 1.00 36.54 C ATOM 776 C ILE A 44 -9.328 -26.534 19.707 1.00 37.59 C ATOM 777 O ILE A 44 -8.819 -27.449 20.348 1.00 37.89 O ATOM 778 CB ILE A 44 -10.072 -27.410 17.415 1.00 36.63 C ATOM 779 CG1 ILE A 44 -8.887 -26.648 16.853 1.00 37.08 C ATOM 780 CG2 ILE A 44 -11.222 -27.466 16.411 1.00 36.20 C ATOM 781 CD1 ILE A 44 -8.264 -27.321 15.658 1.00 37.77 C ATOM 782 HA ILE A 44 -11.139 -27.586 19.266 1.00 0.00 H ATOM 783 HB ILE A 44 -9.751 -28.436 17.597 1.00 0.00 H ATOM 784 HG12 ILE A 44 -9.222 -25.654 16.556 1.00 0.00 H ATOM 785 HG13 ILE A 44 -8.131 -26.557 17.633 1.00 0.00 H ATOM 786 HD11 ILE A 44 -7.914 -28.313 15.943 1.00 0.00 H ATOM 787 HD12 ILE A 44 -9.006 -27.410 14.865 1.00 0.00 H ATOM 788 HD13 ILE A 44 -7.422 -26.725 15.305 1.00 0.00 H ATOM 789 HG21 ILE A 44 -12.019 -28.095 16.808 1.00 0.00 H ATOM 790 HG22 ILE A 44 -11.603 -26.459 16.241 1.00 0.00 H ATOM 791 HG23 ILE A 44 -10.862 -27.883 15.471 1.00 0.00 H ATOM 792 H ILE A 44 -11.366 -25.052 17.821 1.00 0.00 H ATOM 793 N LEU A 45 -8.870 -25.279 19.746 1.00 38.68 N ATOM 794 CA LEU A 45 -7.826 -24.873 20.686 1.00 39.57 C ATOM 795 C LEU A 45 -8.492 -24.269 21.920 1.00 39.90 C ATOM 796 O LEU A 45 -8.901 -24.988 22.829 1.00 40.02 O ATOM 797 CB LEU A 45 -6.857 -23.858 20.063 1.00 39.76 C ATOM 798 CG LEU A 45 -6.312 -24.012 18.638 1.00 40.15 C ATOM 799 CD1 LEU A 45 -5.313 -22.874 18.373 1.00 39.32 C ATOM 800 CD2 LEU A 45 -5.664 -25.370 18.410 1.00 39.93 C ATOM 801 HA LEU A 45 -7.241 -25.752 20.957 1.00 0.00 H ATOM 802 HB2 LEU A 45 -7.367 -22.895 20.091 1.00 0.00 H ATOM 803 HB3 LEU A 45 -5.987 -23.826 20.719 1.00 0.00 H ATOM 804 HG LEU A 45 -7.144 -23.952 17.937 1.00 0.00 H ATOM 805 HD21 LEU A 45 -4.834 -25.496 19.105 1.00 0.00 H ATOM 806 HD22 LEU A 45 -6.401 -26.155 18.576 1.00 0.00 H ATOM 807 HD23 LEU A 45 -5.295 -25.428 17.386 1.00 0.00 H ATOM 808 HD11 LEU A 45 -5.821 -21.915 18.476 1.00 0.00 H ATOM 809 HD12 LEU A 45 -4.497 -22.934 19.093 1.00 0.00 H ATOM 810 HD13 LEU A 45 -4.916 -22.969 17.362 1.00 0.00 H ATOM 811 H LEU A 45 -9.266 -24.574 19.092 1.00 0.00 H TER 812 LEU A 45 HETATM 813 CA ACE B 0 -12.188 16.973 -30.109 1.00 21.90 C HETATM 814 C ACE B 0 -12.513 15.541 -29.776 1.00 22.08 C HETATM 815 O ACE B 0 -12.343 15.102 -28.636 1.00 20.97 O HETATM 816 H3 ACE B 0 -12.408 17.159 -31.160 1.00 0.00 H HETATM 817 H2 ACE B 0 -11.131 17.158 -29.919 1.00 0.00 H HETATM 818 H1 ACE B 0 -12.791 17.635 -29.488 1.00 0.00 H ATOM 819 N ARG B 1 -13.161 14.853 -30.718 1.00 21.95 N ATOM 820 CA ARG B 1 -13.718 13.526 -30.446 1.00 23.19 C ATOM 821 C ARG B 1 -12.667 12.470 -30.057 1.00 22.77 C ATOM 822 O ARG B 1 -12.892 11.657 -29.169 1.00 21.62 O ATOM 823 CB ARG B 1 -14.539 13.011 -31.637 1.00 23.54 C ATOM 824 CG ARG B 1 -15.497 11.833 -31.253 1.00 28.63 C ATOM 825 CD ARG B 1 -16.852 12.345 -30.746 1.00 34.59 C ATOM 826 NE ARG B 1 -17.791 11.243 -30.498 1.00 40.67 N ATOM 827 CZ ARG B 1 -18.821 10.914 -31.280 1.00 43.45 C ATOM 828 NH1 ARG B 1 -19.099 11.602 -32.391 1.00 44.63 N ATOM 829 NH2 ARG B 1 -19.592 9.887 -30.939 1.00 45.37 N ATOM 830 HA ARG B 1 -14.364 13.667 -29.579 1.00 0.00 H ATOM 831 HB2 ARG B 1 -15.138 13.833 -32.028 1.00 0.00 H ATOM 832 HB3 ARG B 1 -13.852 12.664 -32.409 1.00 0.00 H ATOM 833 HG2 ARG B 1 -15.661 11.210 -32.132 1.00 0.00 H ATOM 834 HG3 ARG B 1 -15.029 11.237 -30.469 1.00 0.00 H ATOM 835 HD2 ARG B 1 -17.280 13.013 -31.494 1.00 0.00 H ATOM 836 HD3 ARG B 1 -16.697 12.894 -29.817 1.00 0.00 H ATOM 837 HE ARG B 1 -17.641 10.672 -29.642 1.00 0.00 H ATOM 838 HH12 ARG B 1 -19.907 11.327 -32.985 1.00 0.00 H ATOM 839 HH11 ARG B 1 -18.507 12.413 -32.662 1.00 0.00 H ATOM 840 HH22 ARG B 1 -20.398 9.620 -31.540 1.00 0.00 H ATOM 841 HH21 ARG B 1 -19.389 9.350 -30.072 1.00 0.00 H ATOM 842 H ARG B 1 -13.273 15.268 -31.665 1.00 0.00 H ATOM 843 N MET B 2 -11.533 12.457 -30.735 1.00 22.42 N ATOM 844 CA MET B 2 -10.509 11.483 -30.364 1.00 24.29 C ATOM 845 C MET B 2 -9.956 11.695 -28.943 1.00 22.61 C ATOM 846 O MET B 2 -9.702 10.731 -28.236 1.00 21.98 O ATOM 847 CB MET B 2 -9.403 11.413 -31.410 1.00 23.53 C ATOM 848 CG MET B 2 -9.747 10.460 -32.575 1.00 25.46 C ATOM 849 SD MET B 2 -8.362 10.286 -33.723 1.00 30.14 S ATOM 850 CE MET B 2 -8.062 12.004 -34.207 1.00 28.88 C ATOM 851 HA MET B 2 -11.001 10.511 -30.342 1.00 0.00 H ATOM 852 HB2 MET B 2 -9.239 12.413 -31.813 1.00 0.00 H ATOM 853 HB3 MET B 2 -8.490 11.062 -30.930 1.00 0.00 H ATOM 854 HG2 MET B 2 -10.607 10.857 -33.115 1.00 0.00 H ATOM 855 HG3 MET B 2 -9.996 9.480 -32.169 1.00 0.00 H ATOM 856 HE1 MET B 2 -8.959 12.410 -34.675 1.00 0.00 H ATOM 857 HE2 MET B 2 -7.815 12.591 -33.323 1.00 0.00 H ATOM 858 HE3 MET B 2 -7.233 12.042 -34.913 1.00 0.00 H ATOM 859 H MET B 2 -11.373 13.125 -31.516 1.00 0.00 H ATOM 860 N LYS B 3 -9.786 12.950 -28.537 1.00 22.49 N ATOM 861 CA LYS B 3 -9.359 13.246 -27.173 1.00 23.28 C ATOM 862 C LYS B 3 -10.413 12.776 -26.163 1.00 23.24 C ATOM 863 O LYS B 3 -10.069 12.169 -25.142 1.00 23.32 O ATOM 864 CB LYS B 3 -9.045 14.739 -26.968 1.00 23.31 C ATOM 865 CG LYS B 3 -8.495 15.033 -25.542 1.00 25.05 C ATOM 866 CD LYS B 3 -8.546 16.513 -25.240 1.00 28.79 C ATOM 867 CE LYS B 3 -8.598 16.770 -23.749 1.00 30.65 C ATOM 868 NZ LYS B 3 -7.255 16.834 -23.144 1.00 30.28 N ATOM 869 HA LYS B 3 -8.433 12.696 -27.003 1.00 0.00 H ATOM 870 HB2 LYS B 3 -8.300 15.045 -27.702 1.00 0.00 H ATOM 871 HB3 LYS B 3 -9.959 15.314 -27.118 1.00 0.00 H ATOM 872 HG2 LYS B 3 -9.098 14.498 -24.809 1.00 0.00 H ATOM 873 HG3 LYS B 3 -7.462 14.691 -25.480 1.00 0.00 H ATOM 874 HD2 LYS B 3 -7.657 16.990 -25.652 1.00 0.00 H ATOM 875 HD3 LYS B 3 -9.434 16.940 -25.705 1.00 0.00 H ATOM 876 HE2 LYS B 3 -9.159 15.965 -23.274 1.00 0.00 H ATOM 877 HE3 LYS B 3 -9.107 17.718 -23.574 1.00 0.00 H ATOM 878 HZ1 LYS B 3 -6.763 15.931 -23.298 1.00 0.00 H ATOM 879 HZ2 LYS B 3 -6.714 17.605 -23.585 1.00 0.00 H ATOM 880 HZ3 LYS B 3 -7.344 17.012 -22.123 1.00 0.00 H ATOM 881 H LYS B 3 -9.960 13.732 -29.201 1.00 0.00 H ATOM 882 N GLN B 4 -11.687 13.053 -26.450 1.00 23.10 N ATOM 883 CA GLN B 4 -12.793 12.548 -25.614 1.00 24.18 C ATOM 884 C GLN B 4 -12.676 11.027 -25.417 1.00 23.38 C ATOM 885 O GLN B 4 -12.833 10.525 -24.309 1.00 23.16 O ATOM 886 CB GLN B 4 -14.156 12.887 -26.244 1.00 23.83 C ATOM 887 CG GLN B 4 -14.527 14.395 -26.253 1.00 26.18 C ATOM 888 CD GLN B 4 -15.758 14.725 -27.144 1.00 26.75 C ATOM 889 OE1 GLN B 4 -16.577 13.851 -27.466 1.00 29.97 O ATOM 890 NE2 GLN B 4 -15.869 15.985 -27.553 1.00 29.59 N ATOM 891 HA GLN B 4 -12.724 13.037 -24.642 1.00 0.00 H ATOM 892 HB2 GLN B 4 -14.147 12.536 -27.276 1.00 0.00 H ATOM 893 HB3 GLN B 4 -14.927 12.354 -25.687 1.00 0.00 H ATOM 894 HG2 GLN B 4 -14.748 14.702 -25.231 1.00 0.00 H ATOM 895 HG3 GLN B 4 -13.671 14.959 -26.624 1.00 0.00 H ATOM 896 HE22 GLN B 4 -15.162 16.690 -27.262 1.00 0.00 H ATOM 897 HE21 GLN B 4 -16.663 16.265 -28.164 1.00 0.00 H ATOM 898 H GLN B 4 -11.905 13.638 -27.282 1.00 0.00 H ATOM 899 N ILE B 5 -12.407 10.310 -26.506 1.00 23.16 N ATOM 900 CA ILE B 5 -12.308 8.854 -26.481 1.00 23.63 C ATOM 901 C ILE B 5 -11.077 8.420 -25.682 1.00 23.33 C ATOM 902 O ILE B 5 -11.169 7.522 -24.853 1.00 22.93 O ATOM 903 CB ILE B 5 -12.278 8.242 -27.931 1.00 23.68 C ATOM 904 CG1 ILE B 5 -13.672 8.312 -28.558 1.00 23.92 C ATOM 905 CG2 ILE B 5 -11.752 6.781 -27.894 1.00 23.96 C ATOM 906 CD1 ILE B 5 -13.723 8.040 -30.093 1.00 24.81 C ATOM 907 HA ILE B 5 -13.201 8.470 -25.989 1.00 0.00 H ATOM 908 HB ILE B 5 -11.596 8.826 -28.549 1.00 0.00 H ATOM 909 HG12 ILE B 5 -14.302 7.573 -28.063 1.00 0.00 H ATOM 910 HG13 ILE B 5 -14.073 9.309 -28.378 1.00 0.00 H ATOM 911 HD11 ILE B 5 -13.111 8.778 -30.612 1.00 0.00 H ATOM 912 HD12 ILE B 5 -13.340 7.040 -30.296 1.00 0.00 H ATOM 913 HD13 ILE B 5 -14.754 8.113 -30.440 1.00 0.00 H ATOM 914 HG21 ILE B 5 -10.742 6.770 -27.483 1.00 0.00 H ATOM 915 HG22 ILE B 5 -12.407 6.176 -27.267 1.00 0.00 H ATOM 916 HG23 ILE B 5 -11.739 6.375 -28.906 1.00 0.00 H ATOM 917 H ILE B 5 -12.262 10.806 -27.409 1.00 0.00 H ATOM 918 N GLU B 6 -9.940 9.074 -25.928 1.00 23.33 N ATOM 919 CA GLU B 6 -8.710 8.786 -25.189 1.00 24.63 C ATOM 920 C GLU B 6 -8.839 9.042 -23.669 1.00 24.84 C ATOM 921 O GLU B 6 -8.361 8.241 -22.866 1.00 24.46 O ATOM 922 CB GLU B 6 -7.509 9.523 -25.807 1.00 23.75 C ATOM 923 CG GLU B 6 -7.102 8.913 -27.161 1.00 25.72 C ATOM 924 CD GLU B 6 -6.224 9.821 -27.986 1.00 27.21 C ATOM 925 OE1 GLU B 6 -5.860 9.416 -29.106 1.00 28.86 O ATOM 926 OE2 GLU B 6 -5.925 10.949 -27.544 1.00 29.28 O ATOM 927 HA GLU B 6 -8.528 7.716 -25.286 1.00 0.00 H ATOM 928 HB2 GLU B 6 -7.775 10.569 -25.956 1.00 0.00 H ATOM 929 HB3 GLU B 6 -6.664 9.458 -25.122 1.00 0.00 H ATOM 930 HG2 GLU B 6 -6.561 7.985 -26.974 1.00 0.00 H ATOM 931 HG3 GLU B 6 -8.007 8.697 -27.729 1.00 0.00 H ATOM 932 H GLU B 6 -9.928 9.808 -26.665 1.00 0.00 H ATOM 933 N ASP B 7 -9.480 10.147 -23.296 1.00 26.09 N ATOM 934 CA ASP B 7 -9.846 10.433 -21.900 1.00 27.24 C ATOM 935 C ASP B 7 -10.709 9.315 -21.282 1.00 27.57 C ATOM 936 O ASP B 7 -10.467 8.897 -20.144 1.00 28.02 O ATOM 937 CB ASP B 7 -10.565 11.791 -21.782 1.00 27.49 C ATOM 938 CG ASP B 7 -9.633 12.990 -21.995 1.00 29.23 C ATOM 939 OD1 ASP B 7 -10.145 14.125 -22.199 1.00 29.94 O ATOM 940 OD2 ASP B 7 -8.389 12.810 -21.971 1.00 33.77 O ATOM 941 HA ASP B 7 -8.915 10.479 -21.335 1.00 0.00 H ATOM 942 HB2 ASP B 7 -11.357 11.830 -22.530 1.00 0.00 H ATOM 943 HB3 ASP B 7 -11.004 11.866 -20.787 1.00 0.00 H ATOM 944 H ASP B 7 -9.735 10.842 -24.027 1.00 0.00 H ATOM 945 N LYS B 8 -11.687 8.812 -22.034 1.00 28.42 N ATOM 946 CA LYS B 8 -12.529 7.691 -21.580 1.00 29.02 C ATOM 947 C LYS B 8 -11.717 6.426 -21.352 1.00 29.29 C ATOM 948 O LYS B 8 -11.892 5.737 -20.340 1.00 29.04 O ATOM 949 CB LYS B 8 -13.651 7.387 -22.577 1.00 29.66 C ATOM 950 CG LYS B 8 -14.833 8.322 -22.483 1.00 30.86 C ATOM 951 CD LYS B 8 -15.981 7.850 -23.364 1.00 34.01 C ATOM 952 CE LYS B 8 -16.913 8.997 -23.717 1.00 36.78 C ATOM 953 NZ LYS B 8 -18.305 8.522 -23.951 1.00 39.38 N ATOM 954 HA LYS B 8 -12.966 8.007 -20.633 1.00 0.00 H ATOM 955 HB2 LYS B 8 -13.241 7.454 -23.585 1.00 0.00 H ATOM 956 HB3 LYS B 8 -14.003 6.371 -22.397 1.00 0.00 H ATOM 957 HG2 LYS B 8 -15.173 8.363 -21.448 1.00 0.00 H ATOM 958 HG3 LYS B 8 -14.525 9.318 -22.803 1.00 0.00 H ATOM 959 HD2 LYS B 8 -15.574 7.427 -24.282 1.00 0.00 H ATOM 960 HD3 LYS B 8 -16.545 7.084 -22.832 1.00 0.00 H ATOM 961 HE2 LYS B 8 -16.548 9.483 -24.622 1.00 0.00 H ATOM 962 HE3 LYS B 8 -16.917 9.715 -22.897 1.00 0.00 H ATOM 963 HZ1 LYS B 8 -18.310 7.841 -24.737 1.00 0.00 H ATOM 964 HZ2 LYS B 8 -18.662 8.062 -23.090 1.00 0.00 H ATOM 965 HZ3 LYS B 8 -18.911 9.333 -24.189 1.00 0.00 H ATOM 966 H LYS B 8 -11.862 9.224 -22.973 1.00 0.00 H ATOM 967 N ILE B 9 -10.838 6.123 -22.302 1.00 29.03 N ATOM 968 CA ILE B 9 -9.925 4.997 -22.180 1.00 29.59 C ATOM 969 C ILE B 9 -9.029 5.113 -20.926 1.00 29.97 C ATOM 970 O ILE B 9 -8.849 4.133 -20.198 1.00 30.24 O ATOM 971 CB ILE B 9 -9.097 4.808 -23.482 1.00 28.99 C ATOM 972 CG1 ILE B 9 -10.021 4.386 -24.634 1.00 28.87 C ATOM 973 CG2 ILE B 9 -7.960 3.791 -23.269 1.00 30.25 C ATOM 974 CD1 ILE B 9 -9.340 4.358 -26.022 1.00 29.01 C ATOM 975 HA ILE B 9 -10.525 4.097 -22.044 1.00 0.00 H ATOM 976 HB ILE B 9 -8.634 5.759 -23.746 1.00 0.00 H ATOM 977 HG12 ILE B 9 -10.399 3.387 -24.419 1.00 0.00 H ATOM 978 HG13 ILE B 9 -10.855 5.087 -24.677 1.00 0.00 H ATOM 979 HD11 ILE B 9 -8.966 5.353 -26.262 1.00 0.00 H ATOM 980 HD12 ILE B 9 -8.510 3.651 -26.004 1.00 0.00 H ATOM 981 HD13 ILE B 9 -10.065 4.050 -26.775 1.00 0.00 H ATOM 982 HG21 ILE B 9 -7.297 4.149 -22.481 1.00 0.00 H ATOM 983 HG22 ILE B 9 -8.384 2.829 -22.980 1.00 0.00 H ATOM 984 HG23 ILE B 9 -7.397 3.678 -24.195 1.00 0.00 H ATOM 985 H ILE B 9 -10.802 6.710 -23.160 1.00 0.00 H ATOM 986 N GLU B 10 -8.507 6.310 -20.660 1.00 30.64 N ATOM 987 CA GLU B 10 -7.678 6.561 -19.466 1.00 31.77 C ATOM 988 C GLU B 10 -8.403 6.240 -18.150 1.00 31.53 C ATOM 989 O GLU B 10 -7.803 5.711 -17.205 1.00 30.80 O ATOM 990 CB GLU B 10 -7.213 8.013 -19.426 1.00 32.44 C ATOM 991 CG GLU B 10 -6.354 8.430 -20.590 1.00 36.51 C ATOM 992 CD GLU B 10 -5.838 9.849 -20.448 1.00 41.90 C ATOM 993 OE1 GLU B 10 -4.630 10.008 -20.172 1.00 45.24 O ATOM 994 OE2 GLU B 10 -6.636 10.801 -20.603 1.00 44.39 O ATOM 995 HA GLU B 10 -6.824 5.890 -19.552 1.00 0.00 H ATOM 996 HB2 GLU B 10 -8.096 8.652 -19.409 1.00 0.00 H ATOM 997 HB3 GLU B 10 -6.640 8.161 -18.511 1.00 0.00 H ATOM 998 HG2 GLU B 10 -5.503 7.753 -20.658 1.00 0.00 H ATOM 999 HG3 GLU B 10 -6.945 8.362 -21.504 1.00 0.00 H ATOM 1000 H GLU B 10 -8.691 7.095 -21.317 1.00 0.00 H ATOM 1001 N GLU B 11 -9.687 6.581 -18.094 1.00 31.00 N ATOM 1002 CA GLU B 11 -10.504 6.277 -16.922 1.00 31.60 C ATOM 1003 C GLU B 11 -10.768 4.782 -16.794 1.00 30.98 C ATOM 1004 O GLU B 11 -10.773 4.249 -15.679 1.00 31.12 O ATOM 1005 CB GLU B 11 -11.791 7.096 -16.933 1.00 31.71 C ATOM 1006 CG GLU B 11 -11.532 8.548 -16.577 1.00 35.48 C ATOM 1007 CD GLU B 11 -12.700 9.461 -16.867 1.00 39.97 C ATOM 1008 OE1 GLU B 11 -12.534 10.402 -17.691 1.00 40.97 O ATOM 1009 OE2 GLU B 11 -13.771 9.243 -16.261 1.00 41.63 O ATOM 1010 HA GLU B 11 -9.943 6.566 -16.033 1.00 0.00 H ATOM 1011 HB2 GLU B 11 -12.232 7.049 -17.929 1.00 0.00 H ATOM 1012 HB3 GLU B 11 -12.486 6.672 -16.208 1.00 0.00 H ATOM 1013 HG2 GLU B 11 -11.305 8.607 -15.513 1.00 0.00 H ATOM 1014 HG3 GLU B 11 -10.672 8.895 -17.150 1.00 0.00 H ATOM 1015 H GLU B 11 -10.119 7.074 -18.901 1.00 0.00 H ATOM 1016 N ILE B 12 -10.959 4.110 -17.933 1.00 30.22 N ATOM 1017 CA ILE B 12 -11.120 2.654 -17.970 1.00 29.81 C ATOM 1018 C ILE B 12 -9.844 1.957 -17.442 1.00 29.97 C ATOM 1019 O ILE B 12 -9.929 1.046 -16.615 1.00 28.61 O ATOM 1020 CB ILE B 12 -11.499 2.150 -19.408 1.00 29.93 C ATOM 1021 CG1 ILE B 12 -12.979 2.418 -19.714 1.00 29.37 C ATOM 1022 CG2 ILE B 12 -11.218 0.643 -19.580 1.00 29.65 C ATOM 1023 CD1 ILE B 12 -13.334 2.302 -21.198 1.00 29.92 C ATOM 1024 HA ILE B 12 -11.949 2.389 -17.314 1.00 0.00 H ATOM 1025 HB ILE B 12 -10.874 2.706 -20.107 1.00 0.00 H ATOM 1026 HG12 ILE B 12 -13.581 1.698 -19.159 1.00 0.00 H ATOM 1027 HG13 ILE B 12 -13.222 3.427 -19.380 1.00 0.00 H ATOM 1028 HD11 ILE B 12 -12.749 3.024 -21.768 1.00 0.00 H ATOM 1029 HD12 ILE B 12 -13.108 1.294 -21.547 1.00 0.00 H ATOM 1030 HD13 ILE B 12 -14.396 2.505 -21.333 1.00 0.00 H ATOM 1031 HG21 ILE B 12 -10.157 0.452 -19.418 1.00 0.00 H ATOM 1032 HG22 ILE B 12 -11.805 0.080 -18.854 1.00 0.00 H ATOM 1033 HG23 ILE B 12 -11.494 0.336 -20.589 1.00 0.00 H ATOM 1034 H ILE B 12 -10.995 4.640 -18.827 1.00 0.00 H ATOM 1035 N GLU B 13 -8.678 2.395 -17.928 1.00 30.12 N ATOM 1036 CA GLU B 13 -7.388 1.843 -17.500 1.00 31.13 C ATOM 1037 C GLU B 13 -7.117 2.013 -16.006 1.00 30.94 C ATOM 1038 O GLU B 13 -6.646 1.091 -15.361 1.00 31.20 O ATOM 1039 CB GLU B 13 -6.243 2.471 -18.294 1.00 31.48 C ATOM 1040 CG GLU B 13 -6.224 2.092 -19.757 1.00 33.49 C ATOM 1041 CD GLU B 13 -5.243 2.928 -20.565 1.00 36.07 C ATOM 1042 OE1 GLU B 13 -5.130 4.156 -20.324 1.00 35.98 O ATOM 1043 OE2 GLU B 13 -4.595 2.353 -21.456 1.00 37.33 O ATOM 1044 HA GLU B 13 -7.444 0.773 -17.698 1.00 0.00 H ATOM 1045 HB2 GLU B 13 -6.331 3.555 -18.222 1.00 0.00 H ATOM 1046 HB3 GLU B 13 -5.301 2.154 -17.846 1.00 0.00 H ATOM 1047 HG2 GLU B 13 -5.942 1.043 -19.842 1.00 0.00 H ATOM 1048 HG3 GLU B 13 -7.224 2.233 -20.167 1.00 0.00 H ATOM 1049 H GLU B 13 -8.686 3.156 -18.637 1.00 0.00 H ATOM 1050 N SER B 14 -7.380 3.206 -15.484 1.00 31.61 N ATOM 1051 CA SER B 14 -7.333 3.491 -14.051 1.00 32.76 C ATOM 1052 C SER B 14 -8.229 2.546 -13.239 1.00 32.61 C ATOM 1053 O SER B 14 -7.751 1.866 -12.318 1.00 32.69 O ATOM 1054 CB SER B 14 -7.675 4.972 -13.801 1.00 33.29 C ATOM 1055 OG SER B 14 -8.733 5.113 -12.864 1.00 36.18 O ATOM 1056 HA SER B 14 -6.317 3.308 -13.701 1.00 0.00 H ATOM 1057 HB2 SER B 14 -7.973 5.431 -14.744 1.00 0.00 H ATOM 1058 HB3 SER B 14 -6.791 5.479 -13.416 1.00 0.00 H ATOM 1059 HG SER B 14 -8.926 6.074 -12.728 1.00 0.00 H ATOM 1060 H SER B 14 -7.633 3.980 -16.131 1.00 0.00 H ATOM 1061 N LYS B 15 -9.510 2.471 -13.606 1.00 32.33 N ATOM 1062 CA LYS B 15 -10.422 1.503 -12.994 1.00 31.97 C ATOM 1063 C LYS B 15 -9.908 0.064 -13.088 1.00 31.38 C ATOM 1064 O LYS B 15 -9.994 -0.668 -12.109 1.00 29.98 O ATOM 1065 CB LYS B 15 -11.845 1.635 -13.536 1.00 32.24 C ATOM 1066 CG LYS B 15 -12.898 0.655 -12.946 1.00 34.96 C ATOM 1067 CD LYS B 15 -13.133 0.792 -11.428 1.00 37.04 C ATOM 1068 CE LYS B 15 -13.952 2.034 -11.048 1.00 39.64 C ATOM 1069 NZ LYS B 15 -14.500 1.946 -9.631 1.00 40.73 N ATOM 1070 HA LYS B 15 -10.457 1.748 -11.932 1.00 0.00 H ATOM 1071 HB2 LYS B 15 -12.185 2.651 -13.334 1.00 0.00 H ATOM 1072 HB3 LYS B 15 -11.807 1.474 -14.613 1.00 0.00 H ATOM 1073 HG2 LYS B 15 -13.847 0.831 -13.453 1.00 0.00 H ATOM 1074 HG3 LYS B 15 -12.564 -0.363 -13.147 1.00 0.00 H ATOM 1075 HD2 LYS B 15 -13.665 -0.093 -11.079 1.00 0.00 H ATOM 1076 HD3 LYS B 15 -12.164 0.851 -10.932 1.00 0.00 H ATOM 1077 HE2 LYS B 15 -14.786 2.131 -11.743 1.00 0.00 H ATOM 1078 HE3 LYS B 15 -13.313 2.914 -11.124 1.00 0.00 H ATOM 1079 HZ1 LYS B 15 -15.117 1.113 -9.550 1.00 0.00 H ATOM 1080 HZ2 LYS B 15 -13.710 1.860 -8.960 1.00 0.00 H ATOM 1081 HZ3 LYS B 15 -15.046 2.805 -9.418 1.00 0.00 H ATOM 1082 H LYS B 15 -9.868 3.113 -14.342 1.00 0.00 H ATOM 1083 N GLN B 16 -9.349 -0.323 -14.237 1.00 30.86 N ATOM 1084 CA GLN B 16 -8.869 -1.697 -14.435 1.00 31.36 C ATOM 1085 C GLN B 16 -7.715 -2.040 -13.499 1.00 31.12 C ATOM 1086 O GLN B 16 -7.642 -3.156 -12.987 1.00 30.58 O ATOM 1087 CB GLN B 16 -8.463 -1.962 -15.885 1.00 31.38 C ATOM 1088 CG GLN B 16 -8.171 -3.442 -16.191 1.00 32.01 C ATOM 1089 CD GLN B 16 -8.251 -3.773 -17.683 1.00 32.37 C ATOM 1090 OE1 GLN B 16 -9.248 -4.317 -18.161 1.00 34.82 O ATOM 1091 NE2 GLN B 16 -7.221 -3.431 -18.416 1.00 31.60 N ATOM 1092 HA GLN B 16 -9.710 -2.347 -14.193 1.00 0.00 H ATOM 1093 HB2 GLN B 16 -9.273 -1.630 -16.535 1.00 0.00 H ATOM 1094 HB3 GLN B 16 -7.565 -1.383 -16.102 1.00 0.00 H ATOM 1095 HG2 GLN B 16 -7.168 -3.679 -15.836 1.00 0.00 H ATOM 1096 HG3 GLN B 16 -8.898 -4.056 -15.659 1.00 0.00 H ATOM 1097 HE22 GLN B 16 -6.398 -2.973 -17.975 1.00 0.00 H ATOM 1098 HE21 GLN B 16 -7.226 -3.617 -19.439 1.00 0.00 H ATOM 1099 H GLN B 16 -9.251 0.365 -15.011 1.00 0.00 H ATOM 1100 N LYS B 17 -6.817 -1.085 -13.284 1.00 31.17 N ATOM 1101 CA LYS B 17 -5.730 -1.292 -12.335 1.00 31.51 C ATOM 1102 C LYS B 17 -6.237 -1.406 -10.899 1.00 30.94 C ATOM 1103 O LYS B 17 -5.716 -2.208 -10.125 1.00 30.68 O ATOM 1104 CB LYS B 17 -4.674 -0.203 -12.466 1.00 32.06 C ATOM 1105 CG LYS B 17 -3.476 -0.624 -13.305 1.00 34.97 C ATOM 1106 CD LYS B 17 -2.731 -1.802 -12.657 1.00 37.19 C ATOM 1107 CE LYS B 17 -1.201 -1.634 -12.723 1.00 40.06 C ATOM 1108 NZ LYS B 17 -0.655 -1.711 -14.116 1.00 40.69 N ATOM 1109 HA LYS B 17 -5.262 -2.245 -12.583 1.00 0.00 H ATOM 1110 HB2 LYS B 17 -5.133 0.670 -12.931 1.00 0.00 H ATOM 1111 HB3 LYS B 17 -4.323 0.060 -11.468 1.00 0.00 H ATOM 1112 HG2 LYS B 17 -3.822 -0.923 -14.295 1.00 0.00 H ATOM 1113 HG3 LYS B 17 -2.793 0.220 -13.399 1.00 0.00 H ATOM 1114 HD2 LYS B 17 -3.031 -1.874 -11.612 1.00 0.00 H ATOM 1115 HD3 LYS B 17 -3.006 -2.720 -13.177 1.00 0.00 H ATOM 1116 HE2 LYS B 17 -0.740 -2.422 -12.127 1.00 0.00 H ATOM 1117 HE3 LYS B 17 -0.941 -0.663 -12.303 1.00 0.00 H ATOM 1118 HZ1 LYS B 17 -0.887 -2.638 -14.527 1.00 0.00 H ATOM 1119 HZ2 LYS B 17 -1.078 -0.958 -14.695 1.00 0.00 H ATOM 1120 HZ3 LYS B 17 0.378 -1.590 -14.089 1.00 0.00 H ATOM 1121 H LYS B 17 -6.890 -0.183 -13.797 1.00 0.00 H ATOM 1122 N LYS B 18 -7.254 -0.610 -10.563 1.00 30.14 N ATOM 1123 CA LYS B 18 -7.979 -0.751 -9.305 1.00 31.18 C ATOM 1124 C LYS B 18 -8.564 -2.156 -9.142 1.00 29.93 C ATOM 1125 O LYS B 18 -8.436 -2.764 -8.080 1.00 30.48 O ATOM 1126 CB LYS B 18 -9.100 0.297 -9.177 1.00 30.50 C ATOM 1127 CG LYS B 18 -9.753 0.302 -7.794 1.00 32.67 C ATOM 1128 CD LYS B 18 -10.664 1.505 -7.581 1.00 33.37 C ATOM 1129 CE LYS B 18 -12.112 1.094 -7.435 1.00 36.45 C ATOM 1130 NZ LYS B 18 -12.405 0.481 -6.111 1.00 37.19 N ATOM 1131 HA LYS B 18 -7.253 -0.584 -8.509 1.00 0.00 H ATOM 1132 HB2 LYS B 18 -8.678 1.284 -9.366 1.00 0.00 H ATOM 1133 HB3 LYS B 18 -9.865 0.081 -9.923 1.00 0.00 H ATOM 1134 HG2 LYS B 18 -10.343 -0.608 -7.683 1.00 0.00 H ATOM 1135 HG3 LYS B 18 -8.969 0.319 -7.037 1.00 0.00 H ATOM 1136 HD2 LYS B 18 -10.353 2.028 -6.677 1.00 0.00 H ATOM 1137 HD3 LYS B 18 -10.571 2.174 -8.437 1.00 0.00 H ATOM 1138 HE2 LYS B 18 -12.350 0.370 -8.215 1.00 0.00 H ATOM 1139 HE3 LYS B 18 -12.739 1.977 -7.557 1.00 0.00 H ATOM 1140 HZ1 LYS B 18 -11.818 -0.369 -5.986 1.00 0.00 H ATOM 1141 HZ2 LYS B 18 -12.190 1.166 -5.358 1.00 0.00 H ATOM 1142 HZ3 LYS B 18 -13.410 0.219 -6.067 1.00 0.00 H ATOM 1143 H LYS B 18 -7.541 0.140 -11.224 1.00 0.00 H ATOM 1144 N ILE B 19 -9.221 -2.655 -10.184 1.00 28.85 N ATOM 1145 CA ILE B 19 -9.785 -4.012 -10.162 1.00 28.27 C ATOM 1146 C ILE B 19 -8.688 -5.061 -10.005 1.00 27.65 C ATOM 1147 O ILE B 19 -8.809 -5.965 -9.185 1.00 26.60 O ATOM 1148 CB ILE B 19 -10.654 -4.312 -11.402 1.00 28.14 C ATOM 1149 CG1 ILE B 19 -11.977 -3.531 -11.327 1.00 28.74 C ATOM 1150 CG2 ILE B 19 -10.911 -5.814 -11.530 1.00 27.18 C ATOM 1151 CD1 ILE B 19 -12.728 -3.455 -12.660 1.00 28.42 C ATOM 1152 HA ILE B 19 -10.441 -4.062 -9.293 1.00 0.00 H ATOM 1153 HB ILE B 19 -10.115 -3.987 -12.292 1.00 0.00 H ATOM 1154 HG12 ILE B 19 -12.623 -4.018 -10.596 1.00 0.00 H ATOM 1155 HG13 ILE B 19 -11.758 -2.515 -10.997 1.00 0.00 H ATOM 1156 HD11 ILE B 19 -12.101 -2.959 -13.401 1.00 0.00 H ATOM 1157 HD12 ILE B 19 -12.966 -4.463 -12.999 1.00 0.00 H ATOM 1158 HD13 ILE B 19 -13.650 -2.889 -12.525 1.00 0.00 H ATOM 1159 HG21 ILE B 19 -9.960 -6.337 -11.630 1.00 0.00 H ATOM 1160 HG22 ILE B 19 -11.430 -6.170 -10.640 1.00 0.00 H ATOM 1161 HG23 ILE B 19 -11.525 -6.002 -12.410 1.00 0.00 H ATOM 1162 H ILE B 19 -9.339 -2.071 -11.036 1.00 0.00 H ATOM 1163 N GLU B 20 -7.624 -4.934 -10.792 1.00 27.24 N ATOM 1164 CA GLU B 20 -6.482 -5.839 -10.686 1.00 27.93 C ATOM 1165 C GLU B 20 -5.868 -5.912 -9.284 1.00 27.49 C ATOM 1166 O GLU B 20 -5.552 -7.016 -8.808 1.00 26.21 O ATOM 1167 CB GLU B 20 -5.415 -5.471 -11.710 1.00 28.87 C ATOM 1168 CG GLU B 20 -5.774 -5.908 -13.111 1.00 31.14 C ATOM 1169 CD GLU B 20 -4.783 -5.371 -14.110 1.00 35.21 C ATOM 1170 OE1 GLU B 20 -4.937 -4.211 -14.528 1.00 39.42 O ATOM 1171 OE2 GLU B 20 -3.832 -6.094 -14.457 1.00 39.45 O ATOM 1172 HA GLU B 20 -6.873 -6.835 -10.895 1.00 0.00 H ATOM 1173 HB2 GLU B 20 -5.285 -4.389 -11.705 1.00 0.00 H ATOM 1174 HB3 GLU B 20 -4.478 -5.949 -11.425 1.00 0.00 H ATOM 1175 HG2 GLU B 20 -5.774 -6.997 -13.157 1.00 0.00 H ATOM 1176 HG3 GLU B 20 -6.768 -5.536 -13.358 1.00 0.00 H ATOM 1177 H GLU B 20 -7.604 -4.172 -11.500 1.00 0.00 H ATOM 1178 N ASN B 21 -5.726 -4.753 -8.629 1.00 27.30 N ATOM 1179 CA ASN B 21 -5.229 -4.688 -7.233 1.00 27.99 C ATOM 1180 C ASN B 21 -6.210 -5.293 -6.228 1.00 27.26 C ATOM 1181 O ASN B 21 -5.798 -5.896 -5.241 1.00 26.77 O ATOM 1182 CB ASN B 21 -4.882 -3.244 -6.808 1.00 28.53 C ATOM 1183 CG ASN B 21 -3.710 -2.640 -7.604 1.00 31.72 C ATOM 1184 OD1 ASN B 21 -2.930 -3.352 -8.256 1.00 35.55 O ATOM 1185 ND2 ASN B 21 -3.587 -1.317 -7.547 1.00 34.10 N ATOM 1186 HA ASN B 21 -4.319 -5.288 -7.222 1.00 0.00 H ATOM 1187 HB2 ASN B 21 -5.762 -2.618 -6.958 1.00 0.00 H ATOM 1188 HB3 ASN B 21 -4.617 -3.248 -5.751 1.00 0.00 H ATOM 1189 HD22 ASN B 21 -4.262 -0.756 -6.989 1.00 0.00 H ATOM 1190 HD21 ASN B 21 -2.816 -0.844 -8.060 1.00 0.00 H ATOM 1191 H ASN B 21 -5.973 -3.868 -9.116 1.00 0.00 H ATOM 1192 N GLU B 22 -7.504 -5.116 -6.479 1.00 26.81 N ATOM 1193 CA GLU B 22 -8.548 -5.726 -5.659 1.00 26.50 C ATOM 1194 C GLU B 22 -8.506 -7.258 -5.754 1.00 25.47 C ATOM 1195 O GLU B 22 -8.575 -7.957 -4.738 1.00 24.18 O ATOM 1196 CB GLU B 22 -9.928 -5.204 -6.053 1.00 26.50 C ATOM 1197 CG GLU B 22 -10.279 -3.852 -5.450 1.00 28.10 C ATOM 1198 CD GLU B 22 -11.734 -3.471 -5.652 1.00 29.33 C ATOM 1199 OE1 GLU B 22 -12.448 -3.236 -4.646 1.00 34.81 O ATOM 1200 OE2 GLU B 22 -12.176 -3.408 -6.813 1.00 33.92 O ATOM 1201 HA GLU B 22 -8.358 -5.446 -4.623 1.00 0.00 H ATOM 1202 HB2 GLU B 22 -9.962 -5.114 -7.139 1.00 0.00 H ATOM 1203 HB3 GLU B 22 -10.674 -5.928 -5.726 1.00 0.00 H ATOM 1204 HG2 GLU B 22 -10.074 -3.885 -4.380 1.00 0.00 H ATOM 1205 HG3 GLU B 22 -9.653 -3.091 -5.915 1.00 0.00 H ATOM 1206 H GLU B 22 -7.782 -4.523 -7.287 1.00 0.00 H ATOM 1207 N ILE B 23 -8.391 -7.767 -6.980 1.00 24.14 N ATOM 1208 CA ILE B 23 -8.268 -9.207 -7.209 1.00 23.53 C ATOM 1209 C ILE B 23 -6.979 -9.819 -6.607 1.00 22.98 C ATOM 1210 O ILE B 23 -7.018 -10.941 -6.093 1.00 22.54 O ATOM 1211 CB ILE B 23 -8.439 -9.551 -8.721 1.00 23.61 C ATOM 1212 CG1 ILE B 23 -9.826 -9.110 -9.213 1.00 23.44 C ATOM 1213 CG2 ILE B 23 -8.249 -11.041 -8.989 1.00 24.43 C ATOM 1214 CD1 ILE B 23 -9.976 -9.168 -10.712 1.00 23.90 C ATOM 1215 HA ILE B 23 -9.086 -9.679 -6.666 1.00 0.00 H ATOM 1216 HB ILE B 23 -7.667 -9.009 -9.268 1.00 0.00 H ATOM 1217 HG12 ILE B 23 -10.575 -9.763 -8.765 1.00 0.00 H ATOM 1218 HG13 ILE B 23 -9.998 -8.084 -8.888 1.00 0.00 H ATOM 1219 HD11 ILE B 23 -9.240 -8.511 -11.175 1.00 0.00 H ATOM 1220 HD12 ILE B 23 -9.817 -10.191 -11.052 1.00 0.00 H ATOM 1221 HD13 ILE B 23 -10.979 -8.843 -10.988 1.00 0.00 H ATOM 1222 HG21 ILE B 23 -7.247 -11.339 -8.681 1.00 0.00 H ATOM 1223 HG22 ILE B 23 -8.988 -11.608 -8.423 1.00 0.00 H ATOM 1224 HG23 ILE B 23 -8.377 -11.237 -10.054 1.00 0.00 H ATOM 1225 H ILE B 23 -8.389 -7.123 -7.797 1.00 0.00 H ATOM 1226 N ALA B 24 -5.860 -9.092 -6.658 1.00 22.62 N ATOM 1227 CA ALA B 24 -4.623 -9.534 -5.990 1.00 23.64 C ATOM 1228 C ALA B 24 -4.836 -9.692 -4.475 1.00 23.81 C ATOM 1229 O ALA B 24 -4.437 -10.705 -3.883 1.00 23.71 O ATOM 1230 CB ALA B 24 -3.463 -8.562 -6.284 1.00 23.81 C ATOM 1231 HA ALA B 24 -4.357 -10.511 -6.393 1.00 0.00 H ATOM 1232 HB1 ALA B 24 -3.287 -8.523 -7.359 1.00 0.00 H ATOM 1233 HB2 ALA B 24 -3.723 -7.568 -5.920 1.00 0.00 H ATOM 1234 HB3 ALA B 24 -2.562 -8.911 -5.780 1.00 0.00 H ATOM 1235 H ALA B 24 -5.862 -8.193 -7.181 1.00 0.00 H ATOM 1236 N ARG B 25 -5.502 -8.705 -3.873 1.00 23.74 N ATOM 1237 CA ARG B 25 -5.845 -8.729 -2.448 1.00 25.32 C ATOM 1238 C ARG B 25 -6.736 -9.926 -2.086 1.00 24.15 C ATOM 1239 O ARG B 25 -6.524 -10.608 -1.071 1.00 24.09 O ATOM 1240 CB ARG B 25 -6.527 -7.411 -2.049 1.00 25.43 C ATOM 1241 CG ARG B 25 -5.555 -6.347 -1.519 1.00 28.44 C ATOM 1242 CD ARG B 25 -6.150 -4.918 -1.547 1.00 28.28 C ATOM 1243 NE ARG B 25 -7.597 -4.873 -1.317 1.00 36.23 N ATOM 1244 CZ ARG B 25 -8.465 -4.199 -2.080 1.00 38.23 C ATOM 1245 NH1 ARG B 25 -8.042 -3.483 -3.116 1.00 40.01 N ATOM 1246 NH2 ARG B 25 -9.760 -4.220 -1.791 1.00 40.82 N ATOM 1247 HA ARG B 25 -4.917 -8.840 -1.888 1.00 0.00 H ATOM 1248 HB2 ARG B 25 -7.035 -7.007 -2.925 1.00 0.00 H ATOM 1249 HB3 ARG B 25 -7.261 -7.625 -1.272 1.00 0.00 H ATOM 1250 HG2 ARG B 25 -5.295 -6.595 -0.490 1.00 0.00 H ATOM 1251 HG3 ARG B 25 -4.655 -6.361 -2.134 1.00 0.00 H ATOM 1252 HD2 ARG B 25 -5.943 -4.479 -2.523 1.00 0.00 H ATOM 1253 HD3 ARG B 25 -5.661 -4.327 -0.773 1.00 0.00 H ATOM 1254 HE ARG B 25 -7.975 -5.401 -0.505 1.00 0.00 H ATOM 1255 HH12 ARG B 25 -8.726 -2.963 -3.702 1.00 0.00 H ATOM 1256 HH11 ARG B 25 -7.027 -3.443 -3.341 1.00 0.00 H ATOM 1257 HH22 ARG B 25 -10.434 -3.696 -2.385 1.00 0.00 H ATOM 1258 HH21 ARG B 25 -10.101 -4.761 -0.971 1.00 0.00 H ATOM 1259 H ARG B 25 -5.791 -7.882 -4.440 1.00 0.00 H ATOM 1260 N ILE B 26 -7.732 -10.166 -2.924 1.00 22.73 N ATOM 1261 CA ILE B 26 -8.650 -11.279 -2.736 1.00 21.92 C ATOM 1262 C ILE B 26 -7.925 -12.617 -2.799 1.00 20.56 C ATOM 1263 O ILE B 26 -8.127 -13.441 -1.933 1.00 20.52 O ATOM 1264 CB ILE B 26 -9.826 -11.242 -3.754 1.00 21.12 C ATOM 1265 CG1 ILE B 26 -10.734 -10.040 -3.444 1.00 21.42 C ATOM 1266 CG2 ILE B 26 -10.583 -12.597 -3.761 1.00 22.62 C ATOM 1267 CD1 ILE B 26 -11.932 -9.849 -4.369 1.00 22.64 C ATOM 1268 HA ILE B 26 -9.075 -11.170 -1.738 1.00 0.00 H ATOM 1269 HB ILE B 26 -9.443 -11.105 -4.765 1.00 0.00 H ATOM 1270 HG12 ILE B 26 -11.112 -10.161 -2.429 1.00 0.00 H ATOM 1271 HG13 ILE B 26 -10.124 -9.138 -3.498 1.00 0.00 H ATOM 1272 HD11 ILE B 26 -11.581 -9.708 -5.391 1.00 0.00 H ATOM 1273 HD12 ILE B 26 -12.571 -10.731 -4.321 1.00 0.00 H ATOM 1274 HD13 ILE B 26 -12.497 -8.972 -4.053 1.00 0.00 H ATOM 1275 HG21 ILE B 26 -9.895 -13.394 -4.043 1.00 0.00 H ATOM 1276 HG22 ILE B 26 -10.982 -12.794 -2.766 1.00 0.00 H ATOM 1277 HG23 ILE B 26 -11.402 -12.551 -4.479 1.00 0.00 H ATOM 1278 H ILE B 26 -7.863 -9.539 -3.743 1.00 0.00 H ATOM 1279 N LYS B 27 -7.107 -12.826 -3.830 1.00 20.22 N ATOM 1280 CA LYS B 27 -6.344 -14.062 -3.986 1.00 20.17 C ATOM 1281 C LYS B 27 -5.400 -14.342 -2.815 1.00 19.30 C ATOM 1282 O LYS B 27 -5.221 -15.499 -2.419 1.00 18.48 O ATOM 1283 CB LYS B 27 -5.551 -14.036 -5.296 1.00 20.58 C ATOM 1284 CG LYS B 27 -6.403 -14.332 -6.534 1.00 21.86 C ATOM 1285 CD LYS B 27 -5.661 -13.942 -7.819 1.00 27.43 C ATOM 1286 CE LYS B 27 -4.593 -14.979 -8.172 1.00 30.66 C ATOM 1287 NZ LYS B 27 -4.602 -15.201 -9.652 1.00 35.64 N ATOM 1288 HA LYS B 27 -7.073 -14.872 -4.006 1.00 0.00 H ATOM 1289 HB2 LYS B 27 -5.107 -13.047 -5.411 1.00 0.00 H ATOM 1290 HB3 LYS B 27 -4.760 -14.783 -5.235 1.00 0.00 H ATOM 1291 HG2 LYS B 27 -6.631 -15.397 -6.563 1.00 0.00 H ATOM 1292 HG3 LYS B 27 -7.331 -13.764 -6.472 1.00 0.00 H ATOM 1293 HD2 LYS B 27 -6.377 -13.875 -8.638 1.00 0.00 H ATOM 1294 HD3 LYS B 27 -5.183 -12.973 -7.675 1.00 0.00 H ATOM 1295 HE2 LYS B 27 -4.810 -15.917 -7.660 1.00 0.00 H ATOM 1296 HE3 LYS B 27 -3.613 -14.615 -7.862 1.00 0.00 H ATOM 1297 HZ1 LYS B 27 -5.538 -15.547 -9.944 1.00 0.00 H ATOM 1298 HZ2 LYS B 27 -4.396 -14.304 -10.137 1.00 0.00 H ATOM 1299 HZ3 LYS B 27 -3.878 -15.905 -9.900 1.00 0.00 H ATOM 1300 H LYS B 27 -7.008 -12.082 -4.550 1.00 0.00 H ATOM 1301 N LYS B 28 -4.783 -13.287 -2.282 1.00 18.70 N ATOM 1302 CA LYS B 28 -3.928 -13.424 -1.097 1.00 19.12 C ATOM 1303 C LYS B 28 -4.706 -13.851 0.148 1.00 18.24 C ATOM 1304 O LYS B 28 -4.244 -14.675 0.935 1.00 17.69 O ATOM 1305 CB LYS B 28 -3.166 -12.132 -0.834 1.00 19.99 C ATOM 1306 CG LYS B 28 -2.046 -11.904 -1.836 1.00 23.80 C ATOM 1307 CD LYS B 28 -1.154 -10.727 -1.452 1.00 28.86 C ATOM 1308 CE LYS B 28 -0.085 -10.508 -2.530 1.00 31.21 C ATOM 1309 NZ LYS B 28 1.045 -11.465 -2.344 1.00 31.61 N ATOM 1310 HA LYS B 28 -3.217 -14.221 -1.313 1.00 0.00 H ATOM 1311 HB2 LYS B 28 -3.863 -11.296 -0.892 1.00 0.00 H ATOM 1312 HB3 LYS B 28 -2.737 -12.176 0.167 1.00 0.00 H ATOM 1313 HG2 LYS B 28 -1.434 -12.805 -1.889 1.00 0.00 H ATOM 1314 HG3 LYS B 28 -2.485 -11.707 -2.814 1.00 0.00 H ATOM 1315 HD2 LYS B 28 -1.763 -9.828 -1.358 1.00 0.00 H ATOM 1316 HD3 LYS B 28 -0.669 -10.937 -0.499 1.00 0.00 H ATOM 1317 HE2 LYS B 28 0.293 -9.488 -2.460 1.00 0.00 H ATOM 1318 HE3 LYS B 28 -0.529 -10.663 -3.513 1.00 0.00 H ATOM 1319 HZ1 LYS B 28 1.472 -11.317 -1.407 1.00 0.00 H ATOM 1320 HZ2 LYS B 28 0.688 -12.439 -2.413 1.00 0.00 H ATOM 1321 HZ3 LYS B 28 1.760 -11.303 -3.082 1.00 0.00 H ATOM 1322 H LYS B 28 -4.910 -12.350 -2.714 1.00 0.00 H ATOM 1323 N LEU B 29 -5.893 -13.288 0.327 1.00 17.77 N ATOM 1324 CA LEU B 29 -6.709 -13.626 1.476 1.00 17.81 C ATOM 1325 C LEU B 29 -7.294 -15.035 1.310 1.00 17.73 C ATOM 1326 O LEU B 29 -7.334 -15.804 2.255 1.00 16.98 O ATOM 1327 CB LEU B 29 -7.805 -12.586 1.689 1.00 17.79 C ATOM 1328 CG LEU B 29 -8.777 -12.854 2.840 1.00 18.59 C ATOM 1329 CD1 LEU B 29 -7.997 -13.079 4.152 1.00 17.86 C ATOM 1330 CD2 LEU B 29 -9.747 -11.670 2.963 1.00 19.37 C ATOM 1331 HA LEU B 29 -6.081 -13.622 2.367 1.00 0.00 H ATOM 1332 HB2 LEU B 29 -7.322 -11.627 1.878 1.00 0.00 H ATOM 1333 HB3 LEU B 29 -8.387 -12.523 0.770 1.00 0.00 H ATOM 1334 HG LEU B 29 -9.352 -13.758 2.639 1.00 0.00 H ATOM 1335 HD21 LEU B 29 -9.183 -10.759 3.163 1.00 0.00 H ATOM 1336 HD22 LEU B 29 -10.302 -11.558 2.032 1.00 0.00 H ATOM 1337 HD23 LEU B 29 -10.442 -11.855 3.782 1.00 0.00 H ATOM 1338 HD11 LEU B 29 -7.334 -13.936 4.036 1.00 0.00 H ATOM 1339 HD12 LEU B 29 -7.408 -12.191 4.380 1.00 0.00 H ATOM 1340 HD13 LEU B 29 -8.700 -13.269 4.963 1.00 0.00 H ATOM 1341 H LEU B 29 -6.243 -12.595 -0.366 1.00 0.00 H ATOM 1342 N LEU B 30 -7.704 -15.375 0.093 1.00 18.29 N ATOM 1343 CA LEU B 30 -8.209 -16.715 -0.196 1.00 19.14 C ATOM 1344 C LEU B 30 -7.131 -17.777 0.041 1.00 18.93 C ATOM 1345 O LEU B 30 -7.433 -18.841 0.572 1.00 18.99 O ATOM 1346 CB LEU B 30 -8.688 -16.803 -1.646 1.00 19.19 C ATOM 1347 CG LEU B 30 -10.097 -17.314 -1.982 1.00 21.13 C ATOM 1348 CD1 LEU B 30 -10.173 -17.571 -3.488 1.00 18.49 C ATOM 1349 CD2 LEU B 30 -10.576 -18.543 -1.153 1.00 20.84 C ATOM 1350 HA LEU B 30 -9.044 -16.904 0.479 1.00 0.00 H ATOM 1351 HB2 LEU B 30 -8.616 -15.797 -2.058 1.00 0.00 H ATOM 1352 HB3 LEU B 30 -7.988 -17.458 -2.165 1.00 0.00 H ATOM 1353 HG LEU B 30 -10.798 -16.533 -1.689 1.00 0.00 H ATOM 1354 HD21 LEU B 30 -9.896 -19.379 -1.319 1.00 0.00 H ATOM 1355 HD22 LEU B 30 -10.585 -18.284 -0.094 1.00 0.00 H ATOM 1356 HD23 LEU B 30 -11.581 -18.823 -1.468 1.00 0.00 H ATOM 1357 HD11 LEU B 30 -9.975 -16.643 -4.024 1.00 0.00 H ATOM 1358 HD12 LEU B 30 -9.429 -18.318 -3.766 1.00 0.00 H ATOM 1359 HD13 LEU B 30 -11.168 -17.935 -3.743 1.00 0.00 H ATOM 1360 H LEU B 30 -7.665 -14.671 -0.672 1.00 0.00 H ATOM 1361 N GLN B 31 -5.892 -17.488 -0.372 1.00 18.94 N ATOM 1362 CA GLN B 31 -4.726 -18.342 -0.078 1.00 19.51 C ATOM 1363 C GLN B 31 -4.566 -18.575 1.442 1.00 18.57 C ATOM 1364 O GLN B 31 -4.304 -19.693 1.893 1.00 17.89 O ATOM 1365 CB GLN B 31 -3.452 -17.737 -0.718 1.00 20.05 C ATOM 1366 CG GLN B 31 -2.112 -18.443 -0.361 1.00 22.36 C ATOM 1367 CD GLN B 31 -0.865 -17.855 -1.056 1.00 23.46 C ATOM 1368 OE1 GLN B 31 -0.189 -18.550 -1.825 1.00 29.33 O ATOM 1369 NE2 GLN B 31 -0.545 -16.587 -0.768 1.00 27.93 N ATOM 1370 HA GLN B 31 -4.888 -19.324 -0.522 1.00 0.00 H ATOM 1371 HB2 GLN B 31 -3.572 -17.775 -1.801 1.00 0.00 H ATOM 1372 HB3 GLN B 31 -3.378 -16.698 -0.398 1.00 0.00 H ATOM 1373 HG2 GLN B 31 -1.966 -18.369 0.717 1.00 0.00 H ATOM 1374 HG3 GLN B 31 -2.195 -19.492 -0.644 1.00 0.00 H ATOM 1375 HE22 GLN B 31 -1.139 -16.036 -0.116 1.00 0.00 H ATOM 1376 HE21 GLN B 31 0.298 -16.153 -1.196 1.00 0.00 H ATOM 1377 H GLN B 31 -5.744 -16.621 -0.926 1.00 0.00 H ATOM 1378 N LEU B 32 -4.767 -17.531 2.233 1.00 17.53 N ATOM 1379 CA LEU B 32 -4.658 -17.673 3.693 1.00 17.49 C ATOM 1380 C LEU B 32 -5.751 -18.604 4.230 1.00 16.68 C ATOM 1381 O LEU B 32 -5.482 -19.467 5.082 1.00 15.58 O ATOM 1382 CB LEU B 32 -4.745 -16.298 4.387 1.00 17.95 C ATOM 1383 CG LEU B 32 -3.545 -15.347 4.210 1.00 18.12 C ATOM 1384 CD1 LEU B 32 -3.826 -13.969 4.799 1.00 20.19 C ATOM 1385 CD2 LEU B 32 -2.330 -15.925 4.862 1.00 21.55 C ATOM 1386 HA LEU B 32 -3.685 -18.112 3.915 1.00 0.00 H ATOM 1387 HB2 LEU B 32 -5.628 -15.789 4.000 1.00 0.00 H ATOM 1388 HB3 LEU B 32 -4.869 -16.476 5.455 1.00 0.00 H ATOM 1389 HG LEU B 32 -3.373 -15.233 3.140 1.00 0.00 H ATOM 1390 HD21 LEU B 32 -2.522 -16.065 5.926 1.00 0.00 H ATOM 1391 HD22 LEU B 32 -2.096 -16.886 4.404 1.00 0.00 H ATOM 1392 HD23 LEU B 32 -1.489 -15.244 4.730 1.00 0.00 H ATOM 1393 HD11 LEU B 32 -4.689 -13.530 4.298 1.00 0.00 H ATOM 1394 HD12 LEU B 32 -4.033 -14.066 5.865 1.00 0.00 H ATOM 1395 HD13 LEU B 32 -2.956 -13.329 4.654 1.00 0.00 H ATOM 1396 H LEU B 32 -5.003 -16.606 1.819 1.00 0.00 H ATOM 1397 N THR B 33 -6.980 -18.416 3.738 1.00 15.59 N ATOM 1398 CA THR B 33 -8.126 -19.174 4.272 1.00 15.68 C ATOM 1399 C THR B 33 -8.023 -20.651 3.898 1.00 14.44 C ATOM 1400 O THR B 33 -8.327 -21.506 4.711 1.00 14.35 O ATOM 1401 CB THR B 33 -9.506 -18.616 3.845 1.00 15.77 C ATOM 1402 OG1 THR B 33 -9.659 -18.724 2.426 1.00 17.69 O ATOM 1403 CG2 THR B 33 -9.727 -17.151 4.339 1.00 16.82 C ATOM 1404 HA THR B 33 -8.069 -19.060 5.355 1.00 0.00 H ATOM 1405 HB THR B 33 -10.277 -19.219 4.324 1.00 0.00 H ATOM 1406 HG1 THR B 33 -10.543 -18.365 2.162 1.00 0.00 H ATOM 1407 HG23 THR B 33 -9.602 -17.111 5.421 1.00 0.00 H ATOM 1408 HG21 THR B 33 -8.998 -16.495 3.863 1.00 0.00 H ATOM 1409 HG22 THR B 33 -10.734 -16.828 4.076 1.00 0.00 H ATOM 1410 H THR B 33 -7.129 -17.729 2.972 1.00 0.00 H ATOM 1411 N VAL B 34 -7.550 -20.935 2.684 1.00 14.76 N ATOM 1412 CA VAL B 34 -7.261 -22.305 2.242 1.00 15.63 C ATOM 1413 C VAL B 34 -6.262 -22.954 3.181 1.00 15.49 C ATOM 1414 O VAL B 34 -6.439 -24.086 3.622 1.00 15.52 O ATOM 1415 CB VAL B 34 -6.730 -22.324 0.776 1.00 15.79 C ATOM 1416 CG1 VAL B 34 -6.199 -23.707 0.401 1.00 19.02 C ATOM 1417 CG2 VAL B 34 -7.845 -21.904 -0.167 1.00 16.35 C ATOM 1418 HA VAL B 34 -8.189 -22.876 2.265 1.00 0.00 H ATOM 1419 HB VAL B 34 -5.901 -21.621 0.691 1.00 0.00 H ATOM 1420 HG11 VAL B 34 -5.383 -23.975 1.072 1.00 0.00 H ATOM 1421 HG12 VAL B 34 -7.001 -24.440 0.491 1.00 0.00 H ATOM 1422 HG13 VAL B 34 -5.836 -23.689 -0.627 1.00 0.00 H ATOM 1423 HG21 VAL B 34 -8.680 -22.598 -0.072 1.00 0.00 H ATOM 1424 HG22 VAL B 34 -8.176 -20.897 0.089 1.00 0.00 H ATOM 1425 HG23 VAL B 34 -7.476 -21.917 -1.193 1.00 0.00 H ATOM 1426 H VAL B 34 -7.378 -20.152 2.021 1.00 0.00 H ATOM 1427 N TRP B 35 -5.199 -22.220 3.475 1.00 16.01 N ATOM 1428 CA TRP B 35 -4.149 -22.672 4.397 1.00 16.92 C ATOM 1429 C TRP B 35 -4.719 -22.946 5.801 1.00 16.18 C ATOM 1430 O TRP B 35 -4.417 -23.962 6.421 1.00 16.71 O ATOM 1431 CB TRP B 35 -3.041 -21.602 4.455 1.00 16.42 C ATOM 1432 CG TRP B 35 -1.875 -21.969 5.338 1.00 17.85 C ATOM 1433 CD1 TRP B 35 -0.750 -22.659 4.968 1.00 18.68 C ATOM 1434 CD2 TRP B 35 -1.706 -21.638 6.722 1.00 18.22 C ATOM 1435 NE1 TRP B 35 0.101 -22.794 6.043 1.00 19.16 N ATOM 1436 CE2 TRP B 35 -0.462 -22.184 7.134 1.00 19.94 C ATOM 1437 CE3 TRP B 35 -2.488 -20.942 7.658 1.00 20.19 C ATOM 1438 CZ2 TRP B 35 0.031 -22.032 8.431 1.00 18.20 C ATOM 1439 CZ3 TRP B 35 -2.009 -20.802 8.966 1.00 17.55 C ATOM 1440 CH2 TRP B 35 -0.763 -21.356 9.342 1.00 19.43 C ATOM 1441 HA TRP B 35 -3.732 -23.610 4.031 1.00 0.00 H ATOM 1442 HB2 TRP B 35 -2.667 -21.441 3.444 1.00 0.00 H ATOM 1443 HB3 TRP B 35 -3.478 -20.677 4.831 1.00 0.00 H ATOM 1444 HE1 TRP B 35 1.021 -23.280 6.029 1.00 0.00 H ATOM 1445 HD1 TRP B 35 -0.556 -23.045 3.967 1.00 0.00 H ATOM 1446 HZ2 TRP B 35 1.005 -22.431 8.716 1.00 0.00 H ATOM 1447 HH2 TRP B 35 -0.420 -21.248 10.371 1.00 0.00 H ATOM 1448 HZ3 TRP B 35 -2.603 -20.260 9.702 1.00 0.00 H ATOM 1449 HE3 TRP B 35 -3.451 -20.518 7.371 1.00 0.00 H ATOM 1450 H TRP B 35 -5.104 -21.283 3.034 1.00 0.00 H ATOM 1451 N GLY B 36 -5.560 -22.038 6.283 1.00 16.18 N ATOM 1452 CA GLY B 36 -6.127 -22.149 7.623 1.00 15.68 C ATOM 1453 C GLY B 36 -7.036 -23.372 7.722 1.00 15.69 C ATOM 1454 O GLY B 36 -7.014 -24.086 8.716 1.00 15.35 O ATOM 1455 HA3 GLY B 36 -6.707 -21.253 7.842 1.00 0.00 H ATOM 1456 HA2 GLY B 36 -5.318 -22.244 8.348 1.00 0.00 H ATOM 1457 H GLY B 36 -5.822 -21.225 5.689 1.00 0.00 H ATOM 1458 N ILE B 37 -7.827 -23.620 6.681 1.00 14.35 N ATOM 1459 CA ILE B 37 -8.647 -24.819 6.643 1.00 15.06 C ATOM 1460 C ILE B 37 -7.824 -26.115 6.640 1.00 15.78 C ATOM 1461 O ILE B 37 -8.145 -27.069 7.370 1.00 15.64 O ATOM 1462 CB ILE B 37 -9.620 -24.794 5.451 1.00 15.02 C ATOM 1463 CG1 ILE B 37 -10.674 -23.704 5.668 1.00 14.06 C ATOM 1464 CG2 ILE B 37 -10.258 -26.199 5.240 1.00 14.40 C ATOM 1465 CD1 ILE B 37 -11.448 -23.363 4.394 1.00 14.54 C ATOM 1466 HA ILE B 37 -9.224 -24.816 7.568 1.00 0.00 H ATOM 1467 HB ILE B 37 -9.076 -24.552 4.538 1.00 0.00 H ATOM 1468 HG12 ILE B 37 -11.381 -24.048 6.423 1.00 0.00 H ATOM 1469 HG13 ILE B 37 -10.175 -22.803 6.024 1.00 0.00 H ATOM 1470 HD11 ILE B 37 -10.754 -23.008 3.633 1.00 0.00 H ATOM 1471 HD12 ILE B 37 -11.961 -24.254 4.032 1.00 0.00 H ATOM 1472 HD13 ILE B 37 -12.179 -22.585 4.612 1.00 0.00 H ATOM 1473 HG21 ILE B 37 -9.472 -26.928 5.042 1.00 0.00 H ATOM 1474 HG22 ILE B 37 -10.804 -26.487 6.138 1.00 0.00 H ATOM 1475 HG23 ILE B 37 -10.943 -26.162 4.393 1.00 0.00 H ATOM 1476 H ILE B 37 -7.859 -22.949 5.887 1.00 0.00 H ATOM 1477 N LYS B 38 -6.772 -26.147 5.820 1.00 16.45 N ATOM 1478 CA LYS B 38 -5.857 -27.271 5.778 1.00 17.77 C ATOM 1479 C LYS B 38 -5.202 -27.506 7.147 1.00 17.68 C ATOM 1480 O LYS B 38 -5.034 -28.659 7.560 1.00 18.08 O ATOM 1481 CB LYS B 38 -4.800 -27.041 4.683 1.00 17.40 C ATOM 1482 CG LYS B 38 -4.026 -28.264 4.225 1.00 19.64 C ATOM 1483 CD LYS B 38 -2.886 -27.789 3.295 1.00 20.70 C ATOM 1484 CE LYS B 38 -1.949 -28.918 2.873 1.00 29.29 C ATOM 1485 NZ LYS B 38 -2.618 -29.936 2.031 1.00 28.91 N ATOM 1486 HA LYS B 38 -6.420 -28.172 5.534 1.00 0.00 H ATOM 1487 HB2 LYS B 38 -5.308 -26.625 3.813 1.00 0.00 H ATOM 1488 HB3 LYS B 38 -4.080 -26.316 5.063 1.00 0.00 H ATOM 1489 HG2 LYS B 38 -3.608 -28.782 5.088 1.00 0.00 H ATOM 1490 HG3 LYS B 38 -4.688 -28.939 3.683 1.00 0.00 H ATOM 1491 HD2 LYS B 38 -3.328 -27.351 2.400 1.00 0.00 H ATOM 1492 HD3 LYS B 38 -2.303 -27.031 3.819 1.00 0.00 H ATOM 1493 HE2 LYS B 38 -1.565 -29.405 3.769 1.00 0.00 H ATOM 1494 HE3 LYS B 38 -1.120 -28.490 2.310 1.00 0.00 H ATOM 1495 HZ1 LYS B 38 -3.407 -30.359 2.561 1.00 0.00 H ATOM 1496 HZ2 LYS B 38 -2.982 -29.485 1.167 1.00 0.00 H ATOM 1497 HZ3 LYS B 38 -1.934 -30.677 1.775 1.00 0.00 H ATOM 1498 H LYS B 38 -6.602 -25.338 5.189 1.00 0.00 H ATOM 1499 N GLN B 39 -4.850 -26.435 7.861 1.00 17.73 N ATOM 1500 CA GLN B 39 -4.238 -26.606 9.188 1.00 18.89 C ATOM 1501 C GLN B 39 -5.216 -27.196 10.223 1.00 18.36 C ATOM 1502 O GLN B 39 -4.878 -28.120 10.969 1.00 18.91 O ATOM 1503 CB GLN B 39 -3.610 -25.304 9.713 1.00 19.01 C ATOM 1504 CG GLN B 39 -2.682 -24.543 8.746 1.00 22.73 C ATOM 1505 CD GLN B 39 -1.640 -25.385 7.982 1.00 27.82 C ATOM 1506 OE1 GLN B 39 -1.744 -25.563 6.751 1.00 29.29 O ATOM 1507 NE2 GLN B 39 -0.617 -25.864 8.692 1.00 25.83 N ATOM 1508 HA GLN B 39 -3.436 -27.331 9.049 1.00 0.00 H ATOM 1509 HB2 GLN B 39 -4.423 -24.632 9.988 1.00 0.00 H ATOM 1510 HB3 GLN B 39 -3.029 -25.552 10.602 1.00 0.00 H ATOM 1511 HG2 GLN B 39 -3.310 -24.045 8.008 1.00 0.00 H ATOM 1512 HG3 GLN B 39 -2.142 -23.795 9.326 1.00 0.00 H ATOM 1513 HE22 GLN B 39 -0.570 -25.692 9.717 1.00 0.00 H ATOM 1514 HE21 GLN B 39 0.133 -26.409 8.221 1.00 0.00 H ATOM 1515 H GLN B 39 -5.008 -25.480 7.480 1.00 0.00 H ATOM 1516 N LEU B 40 -6.423 -26.652 10.262 1.00 18.34 N ATOM 1517 CA LEU B 40 -7.467 -27.135 11.155 1.00 18.65 C ATOM 1518 C LEU B 40 -7.841 -28.591 10.882 1.00 18.61 C ATOM 1519 O LEU B 40 -7.940 -29.393 11.812 1.00 18.24 O ATOM 1520 CB LEU B 40 -8.695 -26.235 11.055 1.00 18.55 C ATOM 1521 CG LEU B 40 -8.557 -24.799 11.558 1.00 20.66 C ATOM 1522 CD1 LEU B 40 -9.921 -24.144 11.555 1.00 20.01 C ATOM 1523 CD2 LEU B 40 -7.895 -24.749 12.955 1.00 22.36 C ATOM 1524 HA LEU B 40 -7.073 -27.098 12.171 1.00 0.00 H ATOM 1525 HB2 LEU B 40 -8.981 -26.188 10.004 1.00 0.00 H ATOM 1526 HB3 LEU B 40 -9.494 -26.707 11.627 1.00 0.00 H ATOM 1527 HG LEU B 40 -7.898 -24.244 10.890 1.00 0.00 H ATOM 1528 HD21 LEU B 40 -8.505 -25.307 13.665 1.00 0.00 H ATOM 1529 HD22 LEU B 40 -6.901 -25.193 12.901 1.00 0.00 H ATOM 1530 HD23 LEU B 40 -7.814 -23.712 13.280 1.00 0.00 H ATOM 1531 HD11 LEU B 40 -10.320 -24.142 10.541 1.00 0.00 H ATOM 1532 HD12 LEU B 40 -10.592 -24.701 12.209 1.00 0.00 H ATOM 1533 HD13 LEU B 40 -9.831 -23.118 11.913 1.00 0.00 H ATOM 1534 H LEU B 40 -6.633 -25.851 9.632 1.00 0.00 H ATOM 1535 N GLN B 41 -8.013 -28.950 9.613 1.00 19.01 N ATOM 1536 CA GLN B 41 -8.330 -30.333 9.279 1.00 20.10 C ATOM 1537 C GLN B 41 -7.262 -31.320 9.791 1.00 21.62 C ATOM 1538 O GLN B 41 -7.588 -32.340 10.427 1.00 20.85 O ATOM 1539 CB GLN B 41 -8.522 -30.516 7.791 1.00 20.38 C ATOM 1540 CG GLN B 41 -8.888 -31.956 7.434 1.00 19.89 C ATOM 1541 CD GLN B 41 -8.928 -32.158 5.932 1.00 20.30 C ATOM 1542 OE1 GLN B 41 -8.085 -31.612 5.218 1.00 18.71 O ATOM 1543 NE2 GLN B 41 -9.916 -32.939 5.442 1.00 16.36 N ATOM 1544 HA GLN B 41 -9.268 -30.558 9.786 1.00 0.00 H ATOM 1545 HB2 GLN B 41 -9.322 -29.856 7.455 1.00 0.00 H ATOM 1546 HB3 GLN B 41 -7.596 -30.251 7.281 1.00 0.00 H ATOM 1547 HG2 GLN B 41 -8.145 -32.628 7.863 1.00 0.00 H ATOM 1548 HG3 GLN B 41 -9.869 -32.187 7.850 1.00 0.00 H ATOM 1549 HE22 GLN B 41 -10.602 -33.377 6.089 1.00 0.00 H ATOM 1550 HE21 GLN B 41 -9.990 -33.102 4.418 1.00 0.00 H ATOM 1551 H GLN B 41 -7.921 -28.242 8.857 1.00 0.00 H ATOM 1552 N ALA B 42 -5.998 -31.003 9.515 1.00 23.39 N ATOM 1553 CA ALA B 42 -4.861 -31.810 9.985 1.00 25.76 C ATOM 1554 C ALA B 42 -4.882 -31.946 11.514 1.00 27.02 C ATOM 1555 O ALA B 42 -4.588 -33.002 12.057 1.00 27.98 O ATOM 1556 CB ALA B 42 -3.531 -31.197 9.504 1.00 24.82 C ATOM 1557 HA ALA B 42 -4.950 -32.810 9.560 1.00 0.00 H ATOM 1558 HB1 ALA B 42 -3.519 -31.167 8.414 1.00 0.00 H ATOM 1559 HB2 ALA B 42 -3.435 -30.185 9.898 1.00 0.00 H ATOM 1560 HB3 ALA B 42 -2.701 -31.807 9.861 1.00 0.00 H ATOM 1561 H ALA B 42 -5.808 -30.153 8.946 1.00 0.00 H ATOM 1562 N ARG B 43 -5.256 -30.874 12.202 1.00 28.85 N ATOM 1563 CA ARG B 43 -5.345 -30.880 13.659 1.00 30.40 C ATOM 1564 C ARG B 43 -6.454 -31.801 14.158 1.00 30.93 C ATOM 1565 O ARG B 43 -6.241 -32.582 15.074 1.00 30.43 O ATOM 1566 CB ARG B 43 -5.575 -29.458 14.175 1.00 30.96 C ATOM 1567 CG ARG B 43 -5.085 -29.258 15.581 1.00 35.00 C ATOM 1568 CD ARG B 43 -4.567 -27.834 15.794 1.00 39.17 C ATOM 1569 NE ARG B 43 -3.331 -27.814 16.585 1.00 43.52 N ATOM 1570 CZ ARG B 43 -3.242 -28.147 17.872 1.00 43.96 C ATOM 1571 NH1 ARG B 43 -4.313 -28.554 18.543 1.00 45.97 N ATOM 1572 NH2 ARG B 43 -2.069 -28.089 18.484 1.00 45.68 N ATOM 1573 HA ARG B 43 -4.400 -31.262 14.045 1.00 0.00 H ATOM 1574 HB2 ARG B 43 -5.050 -28.762 13.521 1.00 0.00 H ATOM 1575 HB3 ARG B 43 -6.644 -29.246 14.146 1.00 0.00 H ATOM 1576 HG2 ARG B 43 -5.906 -29.444 16.273 1.00 0.00 H ATOM 1577 HG3 ARG B 43 -4.278 -29.963 15.779 1.00 0.00 H ATOM 1578 HD2 ARG B 43 -5.329 -27.256 16.316 1.00 0.00 H ATOM 1579 HD3 ARG B 43 -4.371 -27.381 14.822 1.00 0.00 H ATOM 1580 HE ARG B 43 -2.458 -27.517 16.104 1.00 0.00 H ATOM 1581 HH12 ARG B 43 -4.231 -28.811 19.547 1.00 0.00 H ATOM 1582 HH11 ARG B 43 -5.234 -28.616 18.064 1.00 0.00 H ATOM 1583 HH22 ARG B 43 -1.993 -28.348 19.488 1.00 0.00 H ATOM 1584 HH21 ARG B 43 -1.224 -27.785 17.960 1.00 0.00 H ATOM 1585 H ARG B 43 -5.493 -30.002 11.687 1.00 0.00 H ATOM 1586 N ILE B 44 -7.638 -31.714 13.555 1.00 31.82 N ATOM 1587 CA ILE B 44 -8.782 -32.479 14.047 1.00 33.39 C ATOM 1588 C ILE B 44 -8.702 -33.949 13.660 1.00 33.87 C ATOM 1589 O ILE B 44 -9.204 -34.800 14.390 1.00 33.63 O ATOM 1590 CB ILE B 44 -10.173 -31.859 13.685 1.00 33.46 C ATOM 1591 CG1 ILE B 44 -10.564 -32.146 12.240 1.00 34.71 C ATOM 1592 CG2 ILE B 44 -10.228 -30.372 14.048 1.00 33.78 C ATOM 1593 CD1 ILE B 44 -12.004 -31.708 11.865 1.00 33.93 C ATOM 1594 HA ILE B 44 -8.712 -32.418 15.133 1.00 0.00 H ATOM 1595 HB ILE B 44 -10.931 -32.350 14.295 1.00 0.00 H ATOM 1596 HG12 ILE B 44 -9.867 -31.620 11.587 1.00 0.00 H ATOM 1597 HG13 ILE B 44 -10.479 -33.219 12.071 1.00 0.00 H ATOM 1598 HD11 ILE B 44 -12.719 -32.234 12.498 1.00 0.00 H ATOM 1599 HD12 ILE B 44 -12.106 -30.633 12.014 1.00 0.00 H ATOM 1600 HD13 ILE B 44 -12.196 -31.951 10.820 1.00 0.00 H ATOM 1601 HG21 ILE B 44 -10.062 -30.254 15.119 1.00 0.00 H ATOM 1602 HG22 ILE B 44 -9.454 -29.836 13.498 1.00 0.00 H ATOM 1603 HG23 ILE B 44 -11.207 -29.971 13.784 1.00 0.00 H ATOM 1604 H ILE B 44 -7.750 -31.096 12.726 1.00 0.00 H ATOM 1605 N LEU B 45 -8.038 -34.246 12.542 1.00 34.43 N ATOM 1606 CA LEU B 45 -7.819 -35.634 12.132 1.00 35.37 C ATOM 1607 C LEU B 45 -6.674 -36.316 12.915 1.00 36.06 C ATOM 1608 O LEU B 45 -6.519 -37.540 12.855 1.00 36.60 O ATOM 1609 CB LEU B 45 -7.595 -35.753 10.613 1.00 35.14 C ATOM 1610 CG LEU B 45 -8.704 -35.491 9.575 1.00 35.39 C ATOM 1611 CD1 LEU B 45 -8.169 -35.845 8.197 1.00 33.44 C ATOM 1612 CD2 LEU B 45 -10.042 -36.224 9.838 1.00 34.69 C ATOM 1613 HA LEU B 45 -8.736 -36.169 12.381 1.00 0.00 H ATOM 1614 HB2 LEU B 45 -6.790 -35.059 10.373 1.00 0.00 H ATOM 1615 HB3 LEU B 45 -7.256 -36.774 10.439 1.00 0.00 H ATOM 1616 HG LEU B 45 -8.954 -34.433 9.651 1.00 0.00 H ATOM 1617 HD21 LEU B 45 -9.870 -37.300 9.844 1.00 0.00 H ATOM 1618 HD22 LEU B 45 -10.441 -35.914 10.804 1.00 0.00 H ATOM 1619 HD23 LEU B 45 -10.753 -35.972 9.051 1.00 0.00 H ATOM 1620 HD11 LEU B 45 -7.299 -35.227 7.977 1.00 0.00 H ATOM 1621 HD12 LEU B 45 -7.883 -36.897 8.179 1.00 0.00 H ATOM 1622 HD13 LEU B 45 -8.943 -35.665 7.451 1.00 0.00 H ATOM 1623 H LEU B 45 -7.668 -33.476 11.949 1.00 0.00 H TER 1624 LEU B 45 HETATM 1625 CA ACE C 0 -2.159 6.299 -36.759 1.00 32.66 C HETATM 1626 C ACE C 0 -2.970 6.280 -35.497 1.00 33.08 C HETATM 1627 O ACE C 0 -3.007 5.278 -34.776 1.00 32.43 O HETATM 1628 H3 ACE C 0 -2.263 7.271 -37.242 1.00 0.00 H HETATM 1629 H2 ACE C 0 -2.516 5.518 -37.430 1.00 0.00 H HETATM 1630 H1 ACE C 0 -1.111 6.122 -36.518 1.00 0.00 H ATOM 1631 N ARG C 1 -3.510 7.458 -35.143 1.00 33.09 N ATOM 1632 CA ARG C 1 -4.037 7.713 -33.802 1.00 32.97 C ATOM 1633 C ARG C 1 -5.322 6.917 -33.585 1.00 34.23 C ATOM 1634 O ARG C 1 -5.542 6.387 -32.495 1.00 33.78 O ATOM 1635 CB ARG C 1 -4.257 9.218 -33.571 1.00 32.96 C ATOM 1636 CG ARG C 1 -4.597 9.611 -32.129 1.00 31.32 C ATOM 1637 CD ARG C 1 -4.872 11.105 -32.044 1.00 30.61 C ATOM 1638 NE ARG C 1 -5.413 11.549 -30.757 1.00 23.75 N ATOM 1639 CZ ARG C 1 -5.907 12.767 -30.544 1.00 25.09 C ATOM 1640 NH1 ARG C 1 -5.915 13.656 -31.536 1.00 21.63 N ATOM 1641 NH2 ARG C 1 -6.402 13.106 -29.346 1.00 19.22 N ATOM 1642 HA ARG C 1 -3.303 7.381 -33.068 1.00 0.00 H ATOM 1643 HB2 ARG C 1 -3.345 9.741 -33.858 1.00 0.00 H ATOM 1644 HB3 ARG C 1 -5.077 9.542 -34.212 1.00 0.00 H ATOM 1645 HG2 ARG C 1 -5.481 9.063 -31.805 1.00 0.00 H ATOM 1646 HG3 ARG C 1 -3.758 9.361 -31.480 1.00 0.00 H ATOM 1647 HD2 ARG C 1 -5.589 11.365 -32.823 1.00 0.00 H ATOM 1648 HD3 ARG C 1 -3.936 11.635 -32.222 1.00 0.00 H ATOM 1649 HE ARG C 1 -5.411 10.875 -29.965 1.00 0.00 H ATOM 1650 HH12 ARG C 1 -6.299 14.609 -31.377 1.00 0.00 H ATOM 1651 HH11 ARG C 1 -5.537 13.397 -32.470 1.00 0.00 H ATOM 1652 HH22 ARG C 1 -6.785 14.061 -29.193 1.00 0.00 H ATOM 1653 HH21 ARG C 1 -6.403 12.414 -28.569 1.00 0.00 H ATOM 1654 H ARG C 1 -3.555 8.219 -35.850 1.00 0.00 H ATOM 1655 N MET C 2 -6.143 6.809 -34.634 1.00 35.46 N ATOM 1656 CA MET C 2 -7.367 5.990 -34.603 1.00 37.47 C ATOM 1657 C MET C 2 -7.070 4.487 -34.490 1.00 36.91 C ATOM 1658 O MET C 2 -7.845 3.745 -33.875 1.00 36.40 O ATOM 1659 CB MET C 2 -8.249 6.249 -35.831 1.00 37.38 C ATOM 1660 CG MET C 2 -9.684 5.695 -35.703 1.00 39.04 C ATOM 1661 SD MET C 2 -10.683 5.870 -37.209 1.00 41.82 S ATOM 1662 CE MET C 2 -11.121 7.608 -37.187 1.00 41.64 C ATOM 1663 HA MET C 2 -7.906 6.294 -33.706 1.00 0.00 H ATOM 1664 HB2 MET C 2 -8.310 7.326 -35.988 1.00 0.00 H ATOM 1665 HB3 MET C 2 -7.777 5.783 -36.696 1.00 0.00 H ATOM 1666 HG2 MET C 2 -10.186 6.227 -34.895 1.00 0.00 H ATOM 1667 HG3 MET C 2 -9.621 4.636 -35.455 1.00 0.00 H ATOM 1668 HE1 MET C 2 -11.682 7.828 -36.279 1.00 0.00 H ATOM 1669 HE2 MET C 2 -10.213 8.211 -37.209 1.00 0.00 H ATOM 1670 HE3 MET C 2 -11.733 7.838 -38.059 1.00 0.00 H ATOM 1671 H MET C 2 -5.908 7.324 -35.507 1.00 0.00 H ATOM 1672 N LYS C 3 -5.959 4.046 -35.079 1.00 36.98 N ATOM 1673 CA LYS C 3 -5.538 2.648 -34.968 1.00 36.99 C ATOM 1674 C LYS C 3 -5.077 2.315 -33.557 1.00 36.69 C ATOM 1675 O LYS C 3 -5.365 1.224 -33.060 1.00 36.40 O ATOM 1676 CB LYS C 3 -4.439 2.303 -35.977 1.00 37.18 C ATOM 1677 CG LYS C 3 -4.909 2.273 -37.419 1.00 38.58 C ATOM 1678 CD LYS C 3 -3.777 1.904 -38.360 1.00 40.79 C ATOM 1679 CE LYS C 3 -3.742 2.814 -39.578 1.00 42.56 C ATOM 1680 NZ LYS C 3 -3.266 4.197 -39.241 1.00 43.26 N ATOM 1681 HA LYS C 3 -6.412 2.039 -35.198 1.00 0.00 H ATOM 1682 HB2 LYS C 3 -3.648 3.048 -35.890 1.00 0.00 H ATOM 1683 HB3 LYS C 3 -4.040 1.320 -35.726 1.00 0.00 H ATOM 1684 HG2 LYS C 3 -5.707 1.537 -37.517 1.00 0.00 H ATOM 1685 HG3 LYS C 3 -5.289 3.258 -37.689 1.00 0.00 H ATOM 1686 HD2 LYS C 3 -2.831 1.990 -37.826 1.00 0.00 H ATOM 1687 HD3 LYS C 3 -3.913 0.874 -38.691 1.00 0.00 H ATOM 1688 HE2 LYS C 3 -4.747 2.881 -39.995 1.00 0.00 H ATOM 1689 HE3 LYS C 3 -3.070 2.382 -40.319 1.00 0.00 H ATOM 1690 HZ1 LYS C 3 -3.906 4.621 -38.539 1.00 0.00 H ATOM 1691 HZ2 LYS C 3 -2.304 4.145 -38.849 1.00 0.00 H ATOM 1692 HZ3 LYS C 3 -3.259 4.780 -40.103 1.00 0.00 H ATOM 1693 H LYS C 3 -5.378 4.710 -35.630 1.00 0.00 H ATOM 1694 N GLN C 4 -4.370 3.258 -32.928 1.00 36.73 N ATOM 1695 CA GLN C 4 -3.934 3.153 -31.528 1.00 37.10 C ATOM 1696 C GLN C 4 -5.117 3.034 -30.576 1.00 36.05 C ATOM 1697 O GLN C 4 -5.050 2.294 -29.605 1.00 35.54 O ATOM 1698 CB GLN C 4 -3.077 4.353 -31.117 1.00 36.81 C ATOM 1699 CG GLN C 4 -1.697 4.384 -31.773 1.00 39.48 C ATOM 1700 CD GLN C 4 -0.934 5.674 -31.504 1.00 39.66 C ATOM 1701 OE1 GLN C 4 -1.159 6.693 -32.164 1.00 43.74 O ATOM 1702 NE2 GLN C 4 -0.001 5.627 -30.548 1.00 43.35 N ATOM 1703 HA GLN C 4 -3.334 2.245 -31.459 1.00 0.00 H ATOM 1704 HB2 GLN C 4 -3.608 5.264 -31.392 1.00 0.00 H ATOM 1705 HB3 GLN C 4 -2.942 4.324 -30.036 1.00 0.00 H ATOM 1706 HG2 GLN C 4 -1.112 3.548 -31.389 1.00 0.00 H ATOM 1707 HG3 GLN C 4 -1.823 4.274 -32.850 1.00 0.00 H ATOM 1708 HE22 GLN C 4 0.155 4.747 -30.016 1.00 0.00 H ATOM 1709 HE21 GLN C 4 0.569 6.471 -30.336 1.00 0.00 H ATOM 1710 H GLN C 4 -4.114 4.115 -33.459 1.00 0.00 H ATOM 1711 N ILE C 5 -6.184 3.779 -30.852 1.00 35.11 N ATOM 1712 CA ILE C 5 -7.393 3.697 -30.053 1.00 34.56 C ATOM 1713 C ILE C 5 -8.001 2.299 -30.176 1.00 34.72 C ATOM 1714 O ILE C 5 -8.302 1.661 -29.169 1.00 34.29 O ATOM 1715 CB ILE C 5 -8.402 4.838 -30.399 1.00 34.38 C ATOM 1716 CG1 ILE C 5 -7.846 6.194 -29.926 1.00 33.23 C ATOM 1717 CG2 ILE C 5 -9.775 4.548 -29.801 1.00 33.24 C ATOM 1718 CD1 ILE C 5 -8.686 7.430 -30.307 1.00 34.39 C ATOM 1719 HA ILE C 5 -7.134 3.853 -29.006 1.00 0.00 H ATOM 1720 HB ILE C 5 -8.528 4.885 -31.481 1.00 0.00 H ATOM 1721 HG12 ILE C 5 -7.768 6.164 -28.839 1.00 0.00 H ATOM 1722 HG13 ILE C 5 -6.853 6.318 -30.357 1.00 0.00 H ATOM 1723 HD11 ILE C 5 -8.766 7.493 -31.392 1.00 0.00 H ATOM 1724 HD12 ILE C 5 -9.682 7.339 -29.873 1.00 0.00 H ATOM 1725 HD13 ILE C 5 -8.202 8.329 -29.924 1.00 0.00 H ATOM 1726 HG21 ILE C 5 -10.154 3.609 -30.204 1.00 0.00 H ATOM 1727 HG22 ILE C 5 -9.689 4.471 -28.717 1.00 0.00 H ATOM 1728 HG23 ILE C 5 -10.459 5.357 -30.056 1.00 0.00 H ATOM 1729 H ILE C 5 -6.151 4.435 -31.658 1.00 0.00 H ATOM 1730 N GLU C 6 -8.149 1.825 -31.409 1.00 35.09 N ATOM 1731 CA GLU C 6 -8.704 0.494 -31.686 1.00 36.38 C ATOM 1732 C GLU C 6 -7.919 -0.661 -31.037 1.00 36.39 C ATOM 1733 O GLU C 6 -8.505 -1.621 -30.515 1.00 36.01 O ATOM 1734 CB GLU C 6 -8.804 0.294 -33.203 1.00 36.29 C ATOM 1735 CG GLU C 6 -9.877 1.175 -33.841 1.00 37.30 C ATOM 1736 CD GLU C 6 -9.766 1.310 -35.352 1.00 37.81 C ATOM 1737 OE1 GLU C 6 -10.806 1.585 -35.986 1.00 38.31 O ATOM 1738 OE2 GLU C 6 -8.656 1.156 -35.916 1.00 42.33 O ATOM 1739 HA GLU C 6 -9.693 0.463 -31.230 1.00 0.00 H ATOM 1740 HB2 GLU C 6 -7.841 0.536 -33.652 1.00 0.00 H ATOM 1741 HB3 GLU C 6 -9.045 -0.750 -33.403 1.00 0.00 H ATOM 1742 HG2 GLU C 6 -10.852 0.747 -33.608 1.00 0.00 H ATOM 1743 HG3 GLU C 6 -9.805 2.171 -33.404 1.00 0.00 H ATOM 1744 H GLU C 6 -7.860 2.421 -32.210 1.00 0.00 H ATOM 1745 N ASP C 7 -6.594 -0.558 -31.088 1.00 36.60 N ATOM 1746 CA ASP C 7 -5.699 -1.550 -30.516 1.00 36.40 C ATOM 1747 C ASP C 7 -5.747 -1.529 -28.989 1.00 36.03 C ATOM 1748 O ASP C 7 -5.799 -2.576 -28.353 1.00 35.10 O ATOM 1749 CB ASP C 7 -4.274 -1.312 -31.016 1.00 36.80 C ATOM 1750 CG ASP C 7 -4.111 -1.618 -32.504 1.00 38.70 C ATOM 1751 OD1 ASP C 7 -3.057 -1.249 -33.066 1.00 40.73 O ATOM 1752 OD2 ASP C 7 -5.030 -2.223 -33.116 1.00 40.75 O ATOM 1753 HA ASP C 7 -6.029 -2.537 -30.839 1.00 0.00 H ATOM 1754 HB2 ASP C 7 -4.014 -0.267 -30.844 1.00 0.00 H ATOM 1755 HB3 ASP C 7 -3.595 -1.952 -30.452 1.00 0.00 H ATOM 1756 H ASP C 7 -6.179 0.271 -31.559 1.00 0.00 H ATOM 1757 N LYS C 8 -5.736 -0.331 -28.413 1.00 35.80 N ATOM 1758 CA LYS C 8 -5.894 -0.164 -26.973 1.00 35.81 C ATOM 1759 C LYS C 8 -7.171 -0.850 -26.464 1.00 35.81 C ATOM 1760 O LYS C 8 -7.127 -1.639 -25.509 1.00 34.87 O ATOM 1761 CB LYS C 8 -5.879 1.329 -26.611 1.00 36.23 C ATOM 1762 CG LYS C 8 -5.759 1.654 -25.122 1.00 37.77 C ATOM 1763 CD LYS C 8 -4.501 1.060 -24.475 1.00 39.38 C ATOM 1764 CE LYS C 8 -4.837 -0.155 -23.611 1.00 39.81 C ATOM 1765 NZ LYS C 8 -3.639 -0.968 -23.228 1.00 41.21 N ATOM 1766 HA LYS C 8 -5.053 -0.648 -26.477 1.00 0.00 H ATOM 1767 HB2 LYS C 8 -5.033 1.788 -27.123 1.00 0.00 H ATOM 1768 HB3 LYS C 8 -6.806 1.771 -26.976 1.00 0.00 H ATOM 1769 HG2 LYS C 8 -5.731 2.737 -25.004 1.00 0.00 H ATOM 1770 HG3 LYS C 8 -6.634 1.256 -24.608 1.00 0.00 H ATOM 1771 HD2 LYS C 8 -3.808 0.756 -25.260 1.00 0.00 H ATOM 1772 HD3 LYS C 8 -4.031 1.820 -23.851 1.00 0.00 H ATOM 1773 HE2 LYS C 8 -5.524 -0.794 -24.166 1.00 0.00 H ATOM 1774 HE3 LYS C 8 -5.323 0.194 -22.700 1.00 0.00 H ATOM 1775 HZ1 LYS C 8 -3.170 -1.318 -24.088 1.00 0.00 H ATOM 1776 HZ2 LYS C 8 -2.978 -0.375 -22.687 1.00 0.00 H ATOM 1777 HZ3 LYS C 8 -3.941 -1.774 -22.644 1.00 0.00 H ATOM 1778 H LYS C 8 -5.611 0.513 -29.008 1.00 0.00 H ATOM 1779 N ILE C 9 -8.295 -0.572 -27.124 1.00 35.72 N ATOM 1780 CA ILE C 9 -9.580 -1.190 -26.765 1.00 36.03 C ATOM 1781 C ILE C 9 -9.559 -2.718 -26.904 1.00 36.38 C ATOM 1782 O ILE C 9 -10.140 -3.431 -26.079 1.00 35.37 O ATOM 1783 CB ILE C 9 -10.756 -0.539 -27.544 1.00 36.12 C ATOM 1784 CG1 ILE C 9 -11.058 0.837 -26.940 1.00 36.29 C ATOM 1785 CG2 ILE C 9 -12.002 -1.437 -27.552 1.00 34.96 C ATOM 1786 CD1 ILE C 9 -11.580 1.839 -27.940 1.00 38.52 C ATOM 1787 HA ILE C 9 -9.745 -0.992 -25.706 1.00 0.00 H ATOM 1788 HB ILE C 9 -10.462 -0.415 -28.586 1.00 0.00 H ATOM 1789 HG12 ILE C 9 -11.805 0.712 -26.156 1.00 0.00 H ATOM 1790 HG13 ILE C 9 -10.139 1.231 -26.505 1.00 0.00 H ATOM 1791 HD11 ILE C 9 -10.839 1.985 -28.726 1.00 0.00 H ATOM 1792 HD12 ILE C 9 -12.506 1.466 -28.377 1.00 0.00 H ATOM 1793 HD13 ILE C 9 -11.770 2.787 -27.437 1.00 0.00 H ATOM 1794 HG21 ILE C 9 -11.760 -2.387 -28.028 1.00 0.00 H ATOM 1795 HG22 ILE C 9 -12.327 -1.615 -26.527 1.00 0.00 H ATOM 1796 HG23 ILE C 9 -12.800 -0.944 -28.107 1.00 0.00 H ATOM 1797 H ILE C 9 -8.262 0.101 -27.916 1.00 0.00 H ATOM 1798 N GLU C 10 -8.875 -3.211 -27.937 1.00 37.00 N ATOM 1799 CA GLU C 10 -8.643 -4.644 -28.088 1.00 38.16 C ATOM 1800 C GLU C 10 -7.930 -5.214 -26.865 1.00 38.11 C ATOM 1801 O GLU C 10 -8.391 -6.203 -26.275 1.00 38.25 O ATOM 1802 CB GLU C 10 -7.823 -4.941 -29.347 1.00 39.05 C ATOM 1803 CG GLU C 10 -8.617 -4.898 -30.635 1.00 41.32 C ATOM 1804 CD GLU C 10 -7.866 -5.522 -31.807 1.00 45.54 C ATOM 1805 OE1 GLU C 10 -8.446 -5.563 -32.919 1.00 46.43 O ATOM 1806 OE2 GLU C 10 -6.701 -5.969 -31.615 1.00 45.87 O ATOM 1807 HA GLU C 10 -9.618 -5.123 -28.184 1.00 0.00 H ATOM 1808 HB2 GLU C 10 -7.023 -4.204 -29.415 1.00 0.00 H ATOM 1809 HB3 GLU C 10 -7.391 -5.936 -29.246 1.00 0.00 H ATOM 1810 HG2 GLU C 10 -9.550 -5.442 -30.489 1.00 0.00 H ATOM 1811 HG3 GLU C 10 -8.838 -3.858 -30.875 1.00 0.00 H ATOM 1812 H GLU C 10 -8.497 -2.558 -28.653 1.00 0.00 H ATOM 1813 N GLU C 11 -6.815 -4.584 -26.497 1.00 37.51 N ATOM 1814 CA GLU C 11 -6.014 -4.988 -25.343 1.00 37.92 C ATOM 1815 C GLU C 11 -6.835 -4.983 -24.059 1.00 36.43 C ATOM 1816 O GLU C 11 -6.738 -5.907 -23.255 1.00 35.76 O ATOM 1817 CB GLU C 11 -4.801 -4.067 -25.168 1.00 37.86 C ATOM 1818 CG GLU C 11 -3.650 -4.357 -26.109 1.00 39.68 C ATOM 1819 CD GLU C 11 -2.371 -3.624 -25.713 1.00 40.89 C ATOM 1820 OE1 GLU C 11 -1.299 -4.282 -25.698 1.00 44.37 O ATOM 1821 OE2 GLU C 11 -2.434 -2.398 -25.417 1.00 43.87 O ATOM 1822 HA GLU C 11 -5.673 -6.005 -25.536 1.00 0.00 H ATOM 1823 HB2 GLU C 11 -5.126 -3.040 -25.334 1.00 0.00 H ATOM 1824 HB3 GLU C 11 -4.439 -4.171 -24.145 1.00 0.00 H ATOM 1825 HG2 GLU C 11 -3.455 -5.429 -26.103 1.00 0.00 H ATOM 1826 HG3 GLU C 11 -3.934 -4.047 -27.115 1.00 0.00 H ATOM 1827 H GLU C 11 -6.500 -3.766 -27.057 1.00 0.00 H ATOM 1828 N ILE C 12 -7.620 -3.927 -23.869 1.00 35.03 N ATOM 1829 CA ILE C 12 -8.525 -3.837 -22.734 1.00 34.64 C ATOM 1830 C ILE C 12 -9.532 -5.002 -22.711 1.00 34.43 C ATOM 1831 O ILE C 12 -9.755 -5.596 -21.657 1.00 33.98 O ATOM 1832 CB ILE C 12 -9.236 -2.461 -22.676 1.00 34.19 C ATOM 1833 CG1 ILE C 12 -8.223 -1.367 -22.327 1.00 33.03 C ATOM 1834 CG2 ILE C 12 -10.358 -2.494 -21.648 1.00 34.24 C ATOM 1835 CD1 ILE C 12 -8.719 0.050 -22.519 1.00 33.70 C ATOM 1836 HA ILE C 12 -7.918 -3.923 -21.833 1.00 0.00 H ATOM 1837 HB ILE C 12 -9.668 -2.241 -23.652 1.00 0.00 H ATOM 1838 HG12 ILE C 12 -7.941 -1.488 -21.281 1.00 0.00 H ATOM 1839 HG13 ILE C 12 -7.344 -1.506 -22.957 1.00 0.00 H ATOM 1840 HD11 ILE C 12 -8.993 0.199 -23.563 1.00 0.00 H ATOM 1841 HD12 ILE C 12 -9.590 0.217 -21.886 1.00 0.00 H ATOM 1842 HD13 ILE C 12 -7.930 0.750 -22.245 1.00 0.00 H ATOM 1843 HG21 ILE C 12 -11.082 -3.260 -21.927 1.00 0.00 H ATOM 1844 HG22 ILE C 12 -9.943 -2.724 -20.667 1.00 0.00 H ATOM 1845 HG23 ILE C 12 -10.849 -1.522 -21.617 1.00 0.00 H ATOM 1846 H ILE C 12 -7.586 -3.143 -24.551 1.00 0.00 H ATOM 1847 N GLU C 13 -10.102 -5.340 -23.874 1.00 34.33 N ATOM 1848 CA GLU C 13 -11.099 -6.419 -23.984 1.00 34.52 C ATOM 1849 C GLU C 13 -10.535 -7.798 -23.655 1.00 34.29 C ATOM 1850 O GLU C 13 -11.175 -8.586 -22.957 1.00 34.39 O ATOM 1851 CB GLU C 13 -11.747 -6.431 -25.377 1.00 35.08 C ATOM 1852 CG GLU C 13 -12.730 -5.286 -25.614 1.00 34.86 C ATOM 1853 CD GLU C 13 -13.280 -5.228 -27.039 1.00 36.09 C ATOM 1854 OE1 GLU C 13 -12.600 -5.683 -28.004 1.00 38.28 O ATOM 1855 OE2 GLU C 13 -14.403 -4.696 -27.188 1.00 37.77 O ATOM 1856 HA GLU C 13 -11.859 -6.201 -23.234 1.00 0.00 H ATOM 1857 HB2 GLU C 13 -10.956 -6.364 -26.124 1.00 0.00 H ATOM 1858 HB3 GLU C 13 -12.282 -7.373 -25.499 1.00 0.00 H ATOM 1859 HG2 GLU C 13 -13.568 -5.405 -24.927 1.00 0.00 H ATOM 1860 HG3 GLU C 13 -12.220 -4.346 -25.404 1.00 0.00 H ATOM 1861 H GLU C 13 -9.831 -4.821 -24.733 1.00 0.00 H ATOM 1862 N SER C 14 -9.346 -8.094 -24.173 1.00 34.33 N ATOM 1863 CA SER C 14 -8.644 -9.351 -23.876 1.00 34.21 C ATOM 1864 C SER C 14 -8.338 -9.466 -22.382 1.00 33.49 C ATOM 1865 O SER C 14 -8.446 -10.545 -21.784 1.00 32.80 O ATOM 1866 CB SER C 14 -7.339 -9.430 -24.678 1.00 34.39 C ATOM 1867 OG SER C 14 -7.601 -9.526 -26.077 1.00 37.97 O ATOM 1868 HA SER C 14 -9.295 -10.177 -24.162 1.00 0.00 H ATOM 1869 HB2 SER C 14 -6.778 -10.308 -24.360 1.00 0.00 H ATOM 1870 HB3 SER C 14 -6.748 -8.534 -24.487 1.00 0.00 H ATOM 1871 HG SER C 14 -8.107 -8.728 -26.372 1.00 0.00 H ATOM 1872 H SER C 14 -8.895 -7.409 -24.813 1.00 0.00 H ATOM 1873 N LYS C 15 -7.953 -8.341 -21.788 1.00 32.97 N ATOM 1874 CA LYS C 15 -7.610 -8.301 -20.377 1.00 32.99 C ATOM 1875 C LYS C 15 -8.855 -8.464 -19.500 1.00 31.90 C ATOM 1876 O LYS C 15 -8.837 -9.204 -18.512 1.00 31.56 O ATOM 1877 CB LYS C 15 -6.875 -7.001 -20.052 1.00 33.62 C ATOM 1878 CG LYS C 15 -5.622 -7.218 -19.236 1.00 36.71 C ATOM 1879 CD LYS C 15 -5.940 -7.334 -17.782 1.00 38.23 C ATOM 1880 CE LYS C 15 -4.822 -8.028 -17.034 1.00 40.69 C ATOM 1881 NZ LYS C 15 -5.253 -8.351 -15.644 1.00 40.61 N ATOM 1882 HA LYS C 15 -6.946 -9.138 -20.160 1.00 0.00 H ATOM 1883 HB2 LYS C 15 -6.600 -6.514 -20.988 1.00 0.00 H ATOM 1884 HB3 LYS C 15 -7.548 -6.353 -19.490 1.00 0.00 H ATOM 1885 HG2 LYS C 15 -5.135 -8.135 -19.568 1.00 0.00 H ATOM 1886 HG3 LYS C 15 -4.948 -6.375 -19.387 1.00 0.00 H ATOM 1887 HD2 LYS C 15 -6.081 -6.336 -17.367 1.00 0.00 H ATOM 1888 HD3 LYS C 15 -6.859 -7.908 -17.663 1.00 0.00 H ATOM 1889 HE2 LYS C 15 -3.952 -7.373 -16.998 1.00 0.00 H ATOM 1890 HE3 LYS C 15 -4.560 -8.950 -17.553 1.00 0.00 H ATOM 1891 HZ1 LYS C 15 -5.501 -7.472 -15.146 1.00 0.00 H ATOM 1892 HZ2 LYS C 15 -6.082 -8.979 -15.676 1.00 0.00 H ATOM 1893 HZ3 LYS C 15 -4.476 -8.827 -15.143 1.00 0.00 H ATOM 1894 H LYS C 15 -7.896 -7.467 -22.348 1.00 0.00 H ATOM 1895 N GLN C 16 -9.940 -7.797 -19.870 1.00 30.41 N ATOM 1896 CA GLN C 16 -11.200 -7.962 -19.155 1.00 29.87 C ATOM 1897 C GLN C 16 -11.699 -9.426 -19.149 1.00 29.40 C ATOM 1898 O GLN C 16 -12.193 -9.911 -18.134 1.00 27.84 O ATOM 1899 CB GLN C 16 -12.248 -7.045 -19.739 1.00 29.84 C ATOM 1900 CG GLN C 16 -13.395 -6.764 -18.830 1.00 32.37 C ATOM 1901 CD GLN C 16 -14.068 -5.467 -19.190 1.00 34.10 C ATOM 1902 OE1 GLN C 16 -14.506 -5.287 -20.324 1.00 36.06 O ATOM 1903 NE2 GLN C 16 -14.153 -4.549 -18.230 1.00 34.87 N ATOM 1904 HA GLN C 16 -11.018 -7.693 -18.115 1.00 0.00 H ATOM 1905 HB2 GLN C 16 -11.771 -6.097 -19.990 1.00 0.00 H ATOM 1906 HB3 GLN C 16 -12.637 -7.506 -20.647 1.00 0.00 H ATOM 1907 HG2 GLN C 16 -14.119 -7.575 -18.909 1.00 0.00 H ATOM 1908 HG3 GLN C 16 -13.030 -6.703 -17.805 1.00 0.00 H ATOM 1909 HE22 GLN C 16 -13.767 -4.748 -17.285 1.00 0.00 H ATOM 1910 HE21 GLN C 16 -14.605 -3.633 -18.425 1.00 0.00 H ATOM 1911 H GLN C 16 -9.891 -7.148 -20.681 1.00 0.00 H ATOM 1912 N LYS C 17 -11.559 -10.109 -20.283 1.00 29.24 N ATOM 1913 CA LYS C 17 -11.854 -11.546 -20.368 1.00 29.86 C ATOM 1914 C LYS C 17 -10.966 -12.388 -19.420 1.00 29.57 C ATOM 1915 O LYS C 17 -11.464 -13.314 -18.781 1.00 29.39 O ATOM 1916 CB LYS C 17 -11.784 -12.033 -21.833 1.00 30.34 C ATOM 1917 CG LYS C 17 -12.031 -13.532 -22.067 1.00 30.87 C ATOM 1918 CD LYS C 17 -13.440 -13.984 -21.677 1.00 32.77 C ATOM 1919 CE LYS C 17 -13.693 -15.424 -22.118 1.00 33.61 C ATOM 1920 NZ LYS C 17 -14.976 -15.945 -21.566 1.00 34.10 N ATOM 1921 HA LYS C 17 -12.877 -11.694 -20.021 1.00 0.00 H ATOM 1922 HB2 LYS C 17 -12.531 -11.481 -22.403 1.00 0.00 H ATOM 1923 HB3 LYS C 17 -10.791 -11.797 -22.214 1.00 0.00 H ATOM 1924 HG2 LYS C 17 -11.879 -13.746 -23.125 1.00 0.00 H ATOM 1925 HG3 LYS C 17 -11.310 -14.098 -21.476 1.00 0.00 H ATOM 1926 HD2 LYS C 17 -13.549 -13.918 -20.595 1.00 0.00 H ATOM 1927 HD3 LYS C 17 -14.170 -13.331 -22.155 1.00 0.00 H ATOM 1928 HE2 LYS C 17 -12.874 -16.052 -21.766 1.00 0.00 H ATOM 1929 HE3 LYS C 17 -13.735 -15.460 -23.207 1.00 0.00 H ATOM 1930 HZ1 LYS C 17 -14.941 -15.919 -20.527 1.00 0.00 H ATOM 1931 HZ2 LYS C 17 -15.762 -15.353 -21.902 1.00 0.00 H ATOM 1932 HZ3 LYS C 17 -15.117 -16.925 -21.885 1.00 0.00 H ATOM 1933 H LYS C 17 -11.231 -9.610 -21.135 1.00 0.00 H ATOM 1934 N LYS C 18 -9.676 -12.052 -19.321 1.00 29.33 N ATOM 1935 CA LYS C 18 -8.766 -12.718 -18.376 1.00 29.33 C ATOM 1936 C LYS C 18 -9.188 -12.482 -16.902 1.00 28.58 C ATOM 1937 O LYS C 18 -9.132 -13.402 -16.075 1.00 27.69 O ATOM 1938 CB LYS C 18 -7.317 -12.260 -18.579 1.00 29.58 C ATOM 1939 CG LYS C 18 -6.627 -12.804 -19.857 1.00 30.83 C ATOM 1940 CD LYS C 18 -5.234 -12.185 -20.035 1.00 31.39 C ATOM 1941 CE LYS C 18 -4.608 -12.549 -21.372 1.00 32.16 C ATOM 1942 NZ LYS C 18 -5.408 -12.046 -22.518 1.00 37.30 N ATOM 1943 HA LYS C 18 -8.831 -13.786 -18.583 1.00 0.00 H ATOM 1944 HB2 LYS C 18 -7.311 -11.171 -18.629 1.00 0.00 H ATOM 1945 HB3 LYS C 18 -6.736 -12.586 -17.716 1.00 0.00 H ATOM 1946 HG2 LYS C 18 -6.529 -13.887 -19.776 1.00 0.00 H ATOM 1947 HG3 LYS C 18 -7.240 -12.560 -20.725 1.00 0.00 H ATOM 1948 HD2 LYS C 18 -5.321 -11.100 -19.972 1.00 0.00 H ATOM 1949 HD3 LYS C 18 -4.586 -12.543 -19.235 1.00 0.00 H ATOM 1950 HE2 LYS C 18 -4.535 -13.634 -21.443 1.00 0.00 H ATOM 1951 HE3 LYS C 18 -3.609 -12.115 -21.423 1.00 0.00 H ATOM 1952 HZ1 LYS C 18 -6.361 -12.460 -22.482 1.00 0.00 H ATOM 1953 HZ2 LYS C 18 -5.477 -11.010 -22.463 1.00 0.00 H ATOM 1954 HZ3 LYS C 18 -4.944 -12.317 -23.409 1.00 0.00 H ATOM 1955 H LYS C 18 -9.304 -11.296 -19.931 1.00 0.00 H ATOM 1956 N ILE C 19 -9.587 -11.243 -16.603 1.00 27.07 N ATOM 1957 CA ILE C 19 -10.082 -10.840 -15.291 1.00 26.95 C ATOM 1958 C ILE C 19 -11.364 -11.624 -14.956 1.00 26.61 C ATOM 1959 O ILE C 19 -11.495 -12.161 -13.858 1.00 26.26 O ATOM 1960 CB ILE C 19 -10.343 -9.311 -15.255 1.00 26.91 C ATOM 1961 CG1 ILE C 19 -9.021 -8.559 -15.070 1.00 27.18 C ATOM 1962 CG2 ILE C 19 -11.341 -8.937 -14.166 1.00 25.26 C ATOM 1963 CD1 ILE C 19 -9.066 -7.086 -15.480 1.00 24.74 C ATOM 1964 HA ILE C 19 -9.327 -11.068 -14.539 1.00 0.00 H ATOM 1965 HB ILE C 19 -10.784 -9.019 -16.208 1.00 0.00 H ATOM 1966 HG12 ILE C 19 -8.744 -8.611 -14.017 1.00 0.00 H ATOM 1967 HG13 ILE C 19 -8.259 -9.057 -15.670 1.00 0.00 H ATOM 1968 HD11 ILE C 19 -9.329 -7.012 -16.535 1.00 0.00 H ATOM 1969 HD12 ILE C 19 -9.814 -6.566 -14.881 1.00 0.00 H ATOM 1970 HD13 ILE C 19 -8.088 -6.634 -15.315 1.00 0.00 H ATOM 1971 HG21 ILE C 19 -12.288 -9.444 -14.353 1.00 0.00 H ATOM 1972 HG22 ILE C 19 -10.949 -9.242 -13.196 1.00 0.00 H ATOM 1973 HG23 ILE C 19 -11.497 -7.858 -14.173 1.00 0.00 H ATOM 1974 H ILE C 19 -9.542 -10.522 -17.351 1.00 0.00 H ATOM 1975 N GLU C 20 -12.283 -11.695 -15.922 1.00 26.02 N ATOM 1976 CA GLU C 20 -13.498 -12.499 -15.801 1.00 26.57 C ATOM 1977 C GLU C 20 -13.188 -13.976 -15.535 1.00 26.09 C ATOM 1978 O GLU C 20 -13.833 -14.591 -14.670 1.00 25.61 O ATOM 1979 CB GLU C 20 -14.360 -12.375 -17.061 1.00 26.33 C ATOM 1980 CG GLU C 20 -15.241 -11.125 -17.101 1.00 27.32 C ATOM 1981 CD GLU C 20 -15.808 -10.847 -18.497 1.00 29.25 C ATOM 1982 OE1 GLU C 20 -16.215 -9.699 -18.740 1.00 33.02 O ATOM 1983 OE2 GLU C 20 -15.844 -11.766 -19.358 1.00 33.59 O ATOM 1984 HA GLU C 20 -14.049 -12.109 -14.945 1.00 0.00 H ATOM 1985 HB2 GLU C 20 -13.698 -12.354 -17.927 1.00 0.00 H ATOM 1986 HB3 GLU C 20 -15.006 -13.251 -17.120 1.00 0.00 H ATOM 1987 HG2 GLU C 20 -16.071 -11.260 -16.408 1.00 0.00 H ATOM 1988 HG3 GLU C 20 -14.645 -10.267 -16.789 1.00 0.00 H ATOM 1989 H GLU C 20 -12.128 -11.156 -16.798 1.00 0.00 H ATOM 1990 N ASN C 21 -12.210 -14.539 -16.261 1.00 25.54 N ATOM 1991 CA ASN C 21 -11.800 -15.935 -16.032 1.00 26.09 C ATOM 1992 C ASN C 21 -11.244 -16.127 -14.613 1.00 25.17 C ATOM 1993 O ASN C 21 -11.546 -17.121 -13.942 1.00 24.50 O ATOM 1994 CB ASN C 21 -10.806 -16.446 -17.108 1.00 26.39 C ATOM 1995 CG ASN C 21 -11.429 -16.522 -18.518 1.00 29.22 C ATOM 1996 OD1 ASN C 21 -12.657 -16.607 -18.679 1.00 30.44 O ATOM 1997 ND2 ASN C 21 -10.568 -16.498 -19.550 1.00 29.91 N ATOM 1998 HA ASN C 21 -12.698 -16.546 -16.125 1.00 0.00 H ATOM 1999 HB2 ASN C 21 -9.952 -15.769 -17.141 1.00 0.00 H ATOM 2000 HB3 ASN C 21 -10.468 -17.442 -16.823 1.00 0.00 H ATOM 2001 HD22 ASN C 21 -9.546 -16.426 -19.373 1.00 0.00 H ATOM 2002 HD21 ASN C 21 -10.924 -16.552 -20.526 1.00 0.00 H ATOM 2003 H ASN C 21 -11.734 -13.980 -16.998 1.00 0.00 H ATOM 2004 N GLU C 22 -10.456 -15.155 -14.158 1.00 25.04 N ATOM 2005 CA GLU C 22 -9.855 -15.191 -12.820 1.00 25.03 C ATOM 2006 C GLU C 22 -10.902 -15.068 -11.707 1.00 23.93 C ATOM 2007 O GLU C 22 -10.815 -15.758 -10.697 1.00 23.03 O ATOM 2008 CB GLU C 22 -8.800 -14.083 -12.667 1.00 25.51 C ATOM 2009 CG GLU C 22 -8.004 -14.171 -11.377 1.00 29.52 C ATOM 2010 CD GLU C 22 -7.449 -15.572 -11.133 1.00 35.16 C ATOM 2011 OE1 GLU C 22 -6.531 -15.999 -11.877 1.00 38.83 O ATOM 2012 OE2 GLU C 22 -7.937 -16.253 -10.204 1.00 37.44 O ATOM 2013 HA GLU C 22 -9.376 -16.165 -12.718 1.00 0.00 H ATOM 2014 HB2 GLU C 22 -8.106 -14.150 -13.505 1.00 0.00 H ATOM 2015 HB3 GLU C 22 -9.307 -13.119 -12.693 1.00 0.00 H ATOM 2016 HG2 GLU C 22 -7.172 -13.468 -11.429 1.00 0.00 H ATOM 2017 HG3 GLU C 22 -8.654 -13.901 -10.545 1.00 0.00 H ATOM 2018 H GLU C 22 -10.259 -14.340 -14.774 1.00 0.00 H ATOM 2019 N ILE C 23 -11.884 -14.192 -11.910 1.00 23.07 N ATOM 2020 CA ILE C 23 -13.027 -14.089 -11.002 1.00 22.92 C ATOM 2021 C ILE C 23 -13.784 -15.419 -10.910 1.00 22.40 C ATOM 2022 O ILE C 23 -14.150 -15.841 -9.819 1.00 21.74 O ATOM 2023 CB ILE C 23 -13.962 -12.918 -11.375 1.00 22.98 C ATOM 2024 CG1 ILE C 23 -13.317 -11.593 -10.953 1.00 22.90 C ATOM 2025 CG2 ILE C 23 -15.341 -13.084 -10.706 1.00 22.78 C ATOM 2026 CD1 ILE C 23 -14.070 -10.365 -11.398 1.00 27.40 C ATOM 2027 HA ILE C 23 -12.633 -13.867 -10.010 1.00 0.00 H ATOM 2028 HB ILE C 23 -14.112 -12.916 -12.455 1.00 0.00 H ATOM 2029 HG12 ILE C 23 -13.250 -11.577 -9.865 1.00 0.00 H ATOM 2030 HG13 ILE C 23 -12.314 -11.551 -11.378 1.00 0.00 H ATOM 2031 HD11 ILE C 23 -14.136 -10.355 -12.486 1.00 0.00 H ATOM 2032 HD12 ILE C 23 -15.073 -10.381 -10.972 1.00 0.00 H ATOM 2033 HD13 ILE C 23 -13.543 -9.474 -11.057 1.00 0.00 H ATOM 2034 HG21 ILE C 23 -15.795 -14.017 -11.039 1.00 0.00 H ATOM 2035 HG22 ILE C 23 -15.218 -13.105 -9.623 1.00 0.00 H ATOM 2036 HG23 ILE C 23 -15.981 -12.247 -10.984 1.00 0.00 H ATOM 2037 H ILE C 23 -11.837 -13.563 -12.737 1.00 0.00 H ATOM 2038 N ALA C 24 -14.009 -16.068 -12.054 1.00 21.88 N ATOM 2039 CA ALA C 24 -14.666 -17.376 -12.094 1.00 21.73 C ATOM 2040 C ALA C 24 -13.895 -18.410 -11.271 1.00 21.69 C ATOM 2041 O ALA C 24 -14.501 -19.186 -10.542 1.00 20.95 O ATOM 2042 CB ALA C 24 -14.855 -17.856 -13.531 1.00 21.53 C ATOM 2043 HA ALA C 24 -15.653 -17.261 -11.646 1.00 0.00 H ATOM 2044 HB1 ALA C 24 -15.472 -17.140 -14.074 1.00 0.00 H ATOM 2045 HB2 ALA C 24 -13.882 -17.940 -14.016 1.00 0.00 H ATOM 2046 HB3 ALA C 24 -15.345 -18.830 -13.526 1.00 0.00 H ATOM 2047 H ALA C 24 -13.707 -15.630 -12.948 1.00 0.00 H ATOM 2048 N ARG C 25 -12.566 -18.407 -11.383 1.00 22.03 N ATOM 2049 CA ARG C 25 -11.723 -19.327 -10.594 1.00 22.45 C ATOM 2050 C ARG C 25 -11.832 -19.045 -9.100 1.00 21.55 C ATOM 2051 O ARG C 25 -11.977 -19.969 -8.299 1.00 20.82 O ATOM 2052 CB ARG C 25 -10.249 -19.289 -11.040 1.00 22.52 C ATOM 2053 CG ARG C 25 -10.015 -19.937 -12.398 1.00 23.86 C ATOM 2054 CD ARG C 25 -8.520 -20.103 -12.716 1.00 25.71 C ATOM 2055 NE ARG C 25 -7.839 -18.841 -12.983 1.00 31.15 N ATOM 2056 CZ ARG C 25 -7.824 -18.229 -14.167 1.00 32.76 C ATOM 2057 NH1 ARG C 25 -8.470 -18.743 -15.207 1.00 34.36 N ATOM 2058 NH2 ARG C 25 -7.166 -17.093 -14.307 1.00 32.99 N ATOM 2059 HA ARG C 25 -12.102 -20.331 -10.782 1.00 0.00 H ATOM 2060 HB2 ARG C 25 -9.930 -18.248 -11.093 1.00 0.00 H ATOM 2061 HB3 ARG C 25 -9.649 -19.814 -10.297 1.00 0.00 H ATOM 2062 HG2 ARG C 25 -10.486 -20.920 -12.403 1.00 0.00 H ATOM 2063 HG3 ARG C 25 -10.470 -19.313 -13.167 1.00 0.00 H ATOM 2064 HD2 ARG C 25 -8.422 -20.741 -13.595 1.00 0.00 H ATOM 2065 HD3 ARG C 25 -8.037 -20.583 -11.865 1.00 0.00 H ATOM 2066 HE ARG C 25 -7.331 -18.388 -12.197 1.00 0.00 H ATOM 2067 HH12 ARG C 25 -8.450 -18.255 -16.125 1.00 0.00 H ATOM 2068 HH11 ARG C 25 -8.996 -19.634 -15.104 1.00 0.00 H ATOM 2069 HH22 ARG C 25 -7.151 -16.611 -15.228 1.00 0.00 H ATOM 2070 HH21 ARG C 25 -6.663 -16.680 -13.496 1.00 0.00 H ATOM 2071 H ARG C 25 -12.113 -17.741 -12.041 1.00 0.00 H ATOM 2072 N ILE C 26 -11.742 -17.767 -8.753 1.00 20.64 N ATOM 2073 CA ILE C 26 -11.857 -17.302 -7.383 1.00 20.80 C ATOM 2074 C ILE C 26 -13.171 -17.730 -6.738 1.00 20.48 C ATOM 2075 O ILE C 26 -13.157 -18.243 -5.636 1.00 18.94 O ATOM 2076 CB ILE C 26 -11.682 -15.766 -7.289 1.00 20.79 C ATOM 2077 CG1 ILE C 26 -10.192 -15.413 -7.361 1.00 22.20 C ATOM 2078 CG2 ILE C 26 -12.305 -15.223 -6.002 1.00 20.72 C ATOM 2079 CD1 ILE C 26 -9.932 -13.962 -7.720 1.00 21.20 C ATOM 2080 HA ILE C 26 -11.048 -17.774 -6.826 1.00 0.00 H ATOM 2081 HB ILE C 26 -12.199 -15.301 -8.129 1.00 0.00 H ATOM 2082 HG12 ILE C 26 -9.742 -15.615 -6.389 1.00 0.00 H ATOM 2083 HG13 ILE C 26 -9.723 -16.045 -8.115 1.00 0.00 H ATOM 2084 HD11 ILE C 26 -10.367 -13.747 -8.696 1.00 0.00 H ATOM 2085 HD12 ILE C 26 -10.386 -13.316 -6.968 1.00 0.00 H ATOM 2086 HD13 ILE C 26 -8.857 -13.784 -7.753 1.00 0.00 H ATOM 2087 HG21 ILE C 26 -13.370 -15.456 -5.989 1.00 0.00 H ATOM 2088 HG22 ILE C 26 -11.820 -15.685 -5.142 1.00 0.00 H ATOM 2089 HG23 ILE C 26 -12.168 -14.142 -5.961 1.00 0.00 H ATOM 2090 H ILE C 26 -11.581 -17.063 -9.501 1.00 0.00 H ATOM 2091 N LYS C 27 -14.293 -17.530 -7.437 1.00 20.81 N ATOM 2092 CA LYS C 27 -15.604 -17.958 -6.925 1.00 21.48 C ATOM 2093 C LYS C 27 -15.684 -19.458 -6.626 1.00 20.50 C ATOM 2094 O LYS C 27 -16.263 -19.853 -5.628 1.00 20.12 O ATOM 2095 CB LYS C 27 -16.730 -17.527 -7.877 1.00 21.11 C ATOM 2096 CG LYS C 27 -17.055 -16.019 -7.759 1.00 23.91 C ATOM 2097 CD LYS C 27 -17.827 -15.472 -8.954 1.00 24.53 C ATOM 2098 CE LYS C 27 -19.296 -15.876 -8.961 1.00 29.73 C ATOM 2099 NZ LYS C 27 -20.047 -15.267 -7.816 1.00 35.07 N ATOM 2100 HA LYS C 27 -15.735 -17.453 -5.968 1.00 0.00 H ATOM 2101 HB2 LYS C 27 -16.424 -17.741 -8.901 1.00 0.00 H ATOM 2102 HB3 LYS C 27 -17.627 -18.099 -7.640 1.00 0.00 H ATOM 2103 HG2 LYS C 27 -17.652 -15.863 -6.861 1.00 0.00 H ATOM 2104 HG3 LYS C 27 -16.118 -15.469 -7.671 1.00 0.00 H ATOM 2105 HD2 LYS C 27 -17.768 -14.384 -8.935 1.00 0.00 H ATOM 2106 HD3 LYS C 27 -17.361 -15.845 -9.866 1.00 0.00 H ATOM 2107 HE2 LYS C 27 -19.364 -16.962 -8.890 1.00 0.00 H ATOM 2108 HE3 LYS C 27 -19.749 -15.545 -9.896 1.00 0.00 H ATOM 2109 HZ1 LYS C 27 -19.625 -15.583 -6.919 1.00 0.00 H ATOM 2110 HZ2 LYS C 27 -19.993 -14.230 -7.880 1.00 0.00 H ATOM 2111 HZ3 LYS C 27 -21.042 -15.567 -7.857 1.00 0.00 H ATOM 2112 H LYS C 27 -14.238 -17.061 -8.364 1.00 0.00 H ATOM 2113 N LYS C 28 -15.101 -20.281 -7.499 1.00 19.73 N ATOM 2114 CA LYS C 28 -15.076 -21.719 -7.319 1.00 19.71 C ATOM 2115 C LYS C 28 -14.246 -22.105 -6.100 1.00 18.51 C ATOM 2116 O LYS C 28 -14.662 -22.940 -5.319 1.00 18.24 O ATOM 2117 CB LYS C 28 -14.529 -22.431 -8.575 1.00 19.56 C ATOM 2118 CG LYS C 28 -15.554 -22.515 -9.738 1.00 22.07 C ATOM 2119 CD LYS C 28 -15.071 -23.438 -10.898 1.00 23.14 C ATOM 2120 CE LYS C 28 -13.785 -22.971 -11.585 1.00 29.55 C ATOM 2121 NZ LYS C 28 -12.474 -23.315 -10.892 1.00 31.91 N ATOM 2122 HA LYS C 28 -16.104 -22.043 -7.158 1.00 0.00 H ATOM 2123 HB2 LYS C 28 -13.653 -21.886 -8.926 1.00 0.00 H ATOM 2124 HB3 LYS C 28 -14.238 -23.444 -8.298 1.00 0.00 H ATOM 2125 HG2 LYS C 28 -16.493 -22.907 -9.348 1.00 0.00 H ATOM 2126 HG3 LYS C 28 -15.716 -21.512 -10.134 1.00 0.00 H ATOM 2127 HD2 LYS C 28 -14.898 -24.434 -10.492 1.00 0.00 H ATOM 2128 HD3 LYS C 28 -15.861 -23.485 -11.648 1.00 0.00 H ATOM 2129 HE2 LYS C 28 -13.835 -21.886 -11.677 1.00 0.00 H ATOM 2130 HE3 LYS C 28 -13.760 -23.418 -12.579 1.00 0.00 H ATOM 2131 HZ1 LYS C 28 -12.461 -22.885 -9.945 1.00 0.00 H ATOM 2132 HZ2 LYS C 28 -12.389 -24.348 -10.806 1.00 0.00 H ATOM 2133 HZ3 LYS C 28 -11.680 -22.946 -11.453 1.00 0.00 H ATOM 2134 H LYS C 28 -14.647 -19.875 -8.342 1.00 0.00 H ATOM 2135 N LEU C 29 -13.072 -21.510 -5.952 1.00 17.34 N ATOM 2136 CA LEU C 29 -12.223 -21.821 -4.797 1.00 17.25 C ATOM 2137 C LEU C 29 -12.871 -21.300 -3.507 1.00 16.68 C ATOM 2138 O LEU C 29 -12.873 -21.987 -2.478 1.00 16.23 O ATOM 2139 CB LEU C 29 -10.803 -21.244 -4.986 1.00 17.64 C ATOM 2140 CG LEU C 29 -9.798 -21.449 -3.830 1.00 17.17 C ATOM 2141 CD1 LEU C 29 -9.669 -22.950 -3.445 1.00 16.47 C ATOM 2142 CD2 LEU C 29 -8.432 -20.896 -4.222 1.00 17.78 C ATOM 2143 HA LEU C 29 -12.128 -22.904 -4.716 1.00 0.00 H ATOM 2144 HB2 LEU C 29 -10.377 -21.705 -5.877 1.00 0.00 H ATOM 2145 HB3 LEU C 29 -10.904 -20.171 -5.147 1.00 0.00 H ATOM 2146 HG LEU C 29 -10.175 -20.910 -2.961 1.00 0.00 H ATOM 2147 HD21 LEU C 29 -8.071 -21.418 -5.108 1.00 0.00 H ATOM 2148 HD22 LEU C 29 -8.520 -19.831 -4.436 1.00 0.00 H ATOM 2149 HD23 LEU C 29 -7.731 -21.046 -3.400 1.00 0.00 H ATOM 2150 HD11 LEU C 29 -10.641 -23.327 -3.128 1.00 0.00 H ATOM 2151 HD12 LEU C 29 -9.322 -23.517 -4.309 1.00 0.00 H ATOM 2152 HD13 LEU C 29 -8.954 -23.054 -2.629 1.00 0.00 H ATOM 2153 H LEU C 29 -12.750 -20.818 -6.659 1.00 0.00 H ATOM 2154 N LEU C 30 -13.445 -20.102 -3.566 1.00 16.79 N ATOM 2155 CA LEU C 30 -14.201 -19.583 -2.425 1.00 16.93 C ATOM 2156 C LEU C 30 -15.318 -20.543 -1.983 1.00 16.65 C ATOM 2157 O LEU C 30 -15.537 -20.732 -0.789 1.00 16.61 O ATOM 2158 CB LEU C 30 -14.753 -18.167 -2.701 1.00 16.74 C ATOM 2159 CG LEU C 30 -15.466 -17.444 -1.535 1.00 17.23 C ATOM 2160 CD1 LEU C 30 -14.627 -17.437 -0.248 1.00 17.32 C ATOM 2161 CD2 LEU C 30 -15.833 -16.018 -1.862 1.00 17.65 C ATOM 2162 HA LEU C 30 -13.499 -19.506 -1.595 1.00 0.00 H ATOM 2163 HB2 LEU C 30 -13.914 -17.543 -3.010 1.00 0.00 H ATOM 2164 HB3 LEU C 30 -15.466 -18.247 -3.522 1.00 0.00 H ATOM 2165 HG LEU C 30 -16.378 -18.020 -1.376 1.00 0.00 H ATOM 2166 HD21 LEU C 30 -14.929 -15.456 -2.097 1.00 0.00 H ATOM 2167 HD22 LEU C 30 -16.504 -16.005 -2.721 1.00 0.00 H ATOM 2168 HD23 LEU C 30 -16.330 -15.566 -1.004 1.00 0.00 H ATOM 2169 HD11 LEU C 30 -14.431 -18.463 0.062 1.00 0.00 H ATOM 2170 HD12 LEU C 30 -13.683 -16.926 -0.434 1.00 0.00 H ATOM 2171 HD13 LEU C 30 -15.174 -16.917 0.538 1.00 0.00 H ATOM 2172 H LEU C 30 -13.356 -19.529 -4.430 1.00 0.00 H ATOM 2173 N GLN C 31 -16.029 -21.138 -2.936 1.00 17.50 N ATOM 2174 CA GLN C 31 -17.090 -22.095 -2.616 1.00 17.28 C ATOM 2175 C GLN C 31 -16.560 -23.386 -2.005 1.00 17.06 C ATOM 2176 O GLN C 31 -17.215 -23.967 -1.138 1.00 17.28 O ATOM 2177 CB GLN C 31 -17.959 -22.384 -3.834 1.00 18.43 C ATOM 2178 CG GLN C 31 -18.849 -21.178 -4.280 1.00 20.76 C ATOM 2179 CD GLN C 31 -19.896 -20.774 -3.252 1.00 25.13 C ATOM 2180 OE1 GLN C 31 -20.474 -21.627 -2.570 1.00 28.50 O ATOM 2181 NE2 GLN C 31 -20.168 -19.471 -3.155 1.00 24.64 N ATOM 2182 HA GLN C 31 -17.710 -21.622 -1.855 1.00 0.00 H ATOM 2183 HB2 GLN C 31 -17.307 -22.655 -4.664 1.00 0.00 H ATOM 2184 HB3 GLN C 31 -18.612 -23.224 -3.598 1.00 0.00 H ATOM 2185 HG2 GLN C 31 -18.200 -20.322 -4.465 1.00 0.00 H ATOM 2186 HG3 GLN C 31 -19.361 -21.451 -5.203 1.00 0.00 H ATOM 2187 HE22 GLN C 31 -19.657 -18.787 -3.749 1.00 0.00 H ATOM 2188 HE21 GLN C 31 -20.891 -19.139 -2.485 1.00 0.00 H ATOM 2189 H GLN C 31 -15.827 -20.919 -3.932 1.00 0.00 H ATOM 2190 N LEU C 32 -15.389 -23.840 -2.460 1.00 16.24 N ATOM 2191 CA LEU C 32 -14.689 -24.971 -1.832 1.00 15.97 C ATOM 2192 C LEU C 32 -14.391 -24.689 -0.368 1.00 15.02 C ATOM 2193 O LEU C 32 -14.603 -25.552 0.485 1.00 14.21 O ATOM 2194 CB LEU C 32 -13.374 -25.287 -2.556 1.00 16.21 C ATOM 2195 CG LEU C 32 -13.467 -26.002 -3.906 1.00 17.21 C ATOM 2196 CD1 LEU C 32 -12.145 -25.994 -4.586 1.00 16.36 C ATOM 2197 CD2 LEU C 32 -13.942 -27.432 -3.740 1.00 18.87 C ATOM 2198 HA LEU C 32 -15.353 -25.832 -1.906 1.00 0.00 H ATOM 2199 HB2 LEU C 32 -12.856 -24.342 -2.721 1.00 0.00 H ATOM 2200 HB3 LEU C 32 -12.779 -25.915 -1.893 1.00 0.00 H ATOM 2201 HG LEU C 32 -14.194 -25.465 -4.516 1.00 0.00 H ATOM 2202 HD21 LEU C 32 -13.241 -27.975 -3.107 1.00 0.00 H ATOM 2203 HD22 LEU C 32 -14.929 -27.434 -3.277 1.00 0.00 H ATOM 2204 HD23 LEU C 32 -13.997 -27.911 -4.718 1.00 0.00 H ATOM 2205 HD11 LEU C 32 -11.828 -24.964 -4.749 1.00 0.00 H ATOM 2206 HD12 LEU C 32 -11.413 -26.506 -3.961 1.00 0.00 H ATOM 2207 HD13 LEU C 32 -12.228 -26.506 -5.545 1.00 0.00 H ATOM 2208 H LEU C 32 -14.958 -23.378 -3.286 1.00 0.00 H ATOM 2209 N THR C 33 -13.925 -23.478 -0.070 1.00 14.57 N ATOM 2210 CA THR C 33 -13.590 -23.138 1.320 1.00 15.16 C ATOM 2211 C THR C 33 -14.837 -23.082 2.195 1.00 15.39 C ATOM 2212 O THR C 33 -14.807 -23.537 3.330 1.00 16.73 O ATOM 2213 CB THR C 33 -12.751 -21.841 1.484 1.00 14.49 C ATOM 2214 OG1 THR C 33 -13.535 -20.692 1.151 1.00 15.59 O ATOM 2215 CG2 THR C 33 -11.444 -21.901 0.636 1.00 14.72 C ATOM 2216 HA THR C 33 -12.948 -23.951 1.658 1.00 0.00 H ATOM 2217 HB THR C 33 -12.455 -21.758 2.530 1.00 0.00 H ATOM 2218 HG1 THR C 33 -12.986 -19.876 1.261 1.00 0.00 H ATOM 2219 HG23 THR C 33 -10.872 -22.786 0.914 1.00 0.00 H ATOM 2220 HG21 THR C 33 -11.701 -21.951 -0.422 1.00 0.00 H ATOM 2221 HG22 THR C 33 -10.849 -21.008 0.825 1.00 0.00 H ATOM 2222 H THR C 33 -13.798 -22.771 -0.822 1.00 0.00 H ATOM 2223 N VAL C 34 -15.924 -22.519 1.674 1.00 15.36 N ATOM 2224 CA VAL C 34 -17.236 -22.602 2.359 1.00 15.83 C ATOM 2225 C VAL C 34 -17.613 -24.048 2.736 1.00 15.40 C ATOM 2226 O VAL C 34 -17.959 -24.336 3.883 1.00 15.96 O ATOM 2227 CB VAL C 34 -18.350 -21.963 1.523 1.00 14.92 C ATOM 2228 CG1 VAL C 34 -19.705 -22.148 2.215 1.00 17.54 C ATOM 2229 CG2 VAL C 34 -18.060 -20.460 1.351 1.00 17.36 C ATOM 2230 HA VAL C 34 -17.131 -22.037 3.285 1.00 0.00 H ATOM 2231 HB VAL C 34 -18.384 -22.446 0.547 1.00 0.00 H ATOM 2232 HG11 VAL C 34 -19.911 -23.212 2.330 1.00 0.00 H ATOM 2233 HG12 VAL C 34 -19.678 -21.674 3.196 1.00 0.00 H ATOM 2234 HG13 VAL C 34 -20.486 -21.689 1.609 1.00 0.00 H ATOM 2235 HG21 VAL C 34 -18.020 -19.984 2.331 1.00 0.00 H ATOM 2236 HG22 VAL C 34 -17.104 -20.331 0.844 1.00 0.00 H ATOM 2237 HG23 VAL C 34 -18.852 -20.004 0.756 1.00 0.00 H ATOM 2238 H VAL C 34 -15.852 -22.011 0.769 1.00 0.00 H ATOM 2239 N TRP C 35 -17.518 -24.942 1.762 1.00 14.53 N ATOM 2240 CA TRP C 35 -17.829 -26.345 1.944 1.00 14.43 C ATOM 2241 C TRP C 35 -16.876 -26.960 2.968 1.00 13.67 C ATOM 2242 O TRP C 35 -17.289 -27.755 3.799 1.00 13.24 O ATOM 2243 CB TRP C 35 -17.720 -27.085 0.595 1.00 14.07 C ATOM 2244 CG TRP C 35 -18.042 -28.547 0.682 1.00 14.03 C ATOM 2245 CD1 TRP C 35 -19.277 -29.132 0.554 1.00 15.86 C ATOM 2246 CD2 TRP C 35 -17.117 -29.612 0.895 1.00 14.47 C ATOM 2247 NE1 TRP C 35 -19.166 -30.498 0.683 1.00 16.23 N ATOM 2248 CE2 TRP C 35 -17.858 -30.816 0.924 1.00 16.72 C ATOM 2249 CE3 TRP C 35 -15.736 -29.667 1.106 1.00 17.02 C ATOM 2250 CZ2 TRP C 35 -17.255 -32.062 1.119 1.00 15.88 C ATOM 2251 CZ3 TRP C 35 -15.136 -30.903 1.316 1.00 14.96 C ATOM 2252 CH2 TRP C 35 -15.892 -32.081 1.317 1.00 15.32 C ATOM 2253 HA TRP C 35 -18.849 -26.442 2.315 1.00 0.00 H ATOM 2254 HB2 TRP C 35 -18.411 -26.621 -0.109 1.00 0.00 H ATOM 2255 HB3 TRP C 35 -16.700 -26.978 0.225 1.00 0.00 H ATOM 2256 HE1 TRP C 35 -19.950 -31.178 0.609 1.00 0.00 H ATOM 2257 HD1 TRP C 35 -20.208 -28.594 0.376 1.00 0.00 H ATOM 2258 HZ2 TRP C 35 -17.840 -32.982 1.115 1.00 0.00 H ATOM 2259 HH2 TRP C 35 -15.391 -33.035 1.478 1.00 0.00 H ATOM 2260 HZ3 TRP C 35 -14.060 -30.956 1.482 1.00 0.00 H ATOM 2261 HE3 TRP C 35 -15.139 -28.755 1.106 1.00 0.00 H ATOM 2262 H TRP C 35 -17.206 -24.621 0.823 1.00 0.00 H ATOM 2263 N GLY C 36 -15.594 -26.618 2.874 1.00 13.54 N ATOM 2264 CA GLY C 36 -14.584 -27.173 3.775 1.00 13.31 C ATOM 2265 C GLY C 36 -14.844 -26.803 5.232 1.00 13.87 C ATOM 2266 O GLY C 36 -14.779 -27.662 6.097 1.00 13.63 O ATOM 2267 HA3 GLY C 36 -13.606 -26.790 3.485 1.00 0.00 H ATOM 2268 HA2 GLY C 36 -14.589 -28.259 3.682 1.00 0.00 H ATOM 2269 H GLY C 36 -15.303 -25.939 2.142 1.00 0.00 H ATOM 2270 N ILE C 37 -15.146 -25.530 5.491 1.00 14.62 N ATOM 2271 CA ILE C 37 -15.513 -25.040 6.848 1.00 15.25 C ATOM 2272 C ILE C 37 -16.752 -25.776 7.385 1.00 15.61 C ATOM 2273 O ILE C 37 -16.793 -26.196 8.562 1.00 16.43 O ATOM 2274 CB ILE C 37 -15.747 -23.495 6.856 1.00 15.05 C ATOM 2275 CG1 ILE C 37 -14.446 -22.762 6.518 1.00 16.34 C ATOM 2276 CG2 ILE C 37 -16.351 -22.970 8.215 1.00 15.79 C ATOM 2277 CD1 ILE C 37 -14.650 -21.337 6.060 1.00 17.92 C ATOM 2278 HA ILE C 37 -14.673 -25.255 7.508 1.00 0.00 H ATOM 2279 HB ILE C 37 -16.491 -23.281 6.089 1.00 0.00 H ATOM 2280 HG12 ILE C 37 -13.817 -22.750 7.408 1.00 0.00 H ATOM 2281 HG13 ILE C 37 -13.939 -23.309 5.723 1.00 0.00 H ATOM 2282 HD11 ILE C 37 -15.268 -21.330 5.162 1.00 0.00 H ATOM 2283 HD12 ILE C 37 -15.146 -20.771 6.849 1.00 0.00 H ATOM 2284 HD13 ILE C 37 -13.683 -20.886 5.840 1.00 0.00 H ATOM 2285 HG21 ILE C 37 -17.312 -23.452 8.394 1.00 0.00 H ATOM 2286 HG22 ILE C 37 -15.667 -23.206 9.030 1.00 0.00 H ATOM 2287 HG23 ILE C 37 -16.490 -21.890 8.156 1.00 0.00 H ATOM 2288 H ILE C 37 -15.124 -24.847 4.707 1.00 0.00 H ATOM 2289 N LYS C 38 -17.755 -25.922 6.525 1.00 15.96 N ATOM 2290 CA LYS C 38 -18.962 -26.670 6.852 1.00 16.26 C ATOM 2291 C LYS C 38 -18.663 -28.092 7.331 1.00 16.13 C ATOM 2292 O LYS C 38 -19.243 -28.540 8.317 1.00 15.76 O ATOM 2293 CB LYS C 38 -19.934 -26.711 5.644 1.00 16.93 C ATOM 2294 CG LYS C 38 -21.359 -27.263 5.980 1.00 17.62 C ATOM 2295 CD LYS C 38 -22.280 -27.116 4.770 1.00 18.53 C ATOM 2296 CE LYS C 38 -23.762 -27.401 5.120 1.00 22.07 C ATOM 2297 NZ LYS C 38 -24.006 -28.848 5.487 1.00 28.29 N ATOM 2298 HA LYS C 38 -19.437 -26.141 7.678 1.00 0.00 H ATOM 2299 HB2 LYS C 38 -20.043 -25.697 5.259 1.00 0.00 H ATOM 2300 HB3 LYS C 38 -19.495 -27.346 4.874 1.00 0.00 H ATOM 2301 HG2 LYS C 38 -21.283 -28.316 6.249 1.00 0.00 H ATOM 2302 HG3 LYS C 38 -21.774 -26.704 6.819 1.00 0.00 H ATOM 2303 HD2 LYS C 38 -22.199 -26.098 4.389 1.00 0.00 H ATOM 2304 HD3 LYS C 38 -21.961 -27.817 3.999 1.00 0.00 H ATOM 2305 HE2 LYS C 38 -24.379 -27.151 4.257 1.00 0.00 H ATOM 2306 HE3 LYS C 38 -24.048 -26.774 5.964 1.00 0.00 H ATOM 2307 HZ1 LYS C 38 -23.744 -29.457 4.685 1.00 0.00 H ATOM 2308 HZ2 LYS C 38 -23.428 -29.096 6.315 1.00 0.00 H ATOM 2309 HZ3 LYS C 38 -25.013 -28.982 5.712 1.00 0.00 H ATOM 2310 H LYS C 38 -17.675 -25.486 5.584 1.00 0.00 H ATOM 2311 N GLN C 39 -17.804 -28.813 6.612 1.00 16.98 N ATOM 2312 CA GLN C 39 -17.426 -30.204 6.985 1.00 17.16 C ATOM 2313 C GLN C 39 -16.700 -30.247 8.326 1.00 17.85 C ATOM 2314 O GLN C 39 -16.970 -31.123 9.150 1.00 17.84 O ATOM 2315 CB GLN C 39 -16.520 -30.855 5.925 1.00 17.07 C ATOM 2316 CG GLN C 39 -17.070 -30.845 4.521 1.00 18.98 C ATOM 2317 CD GLN C 39 -18.561 -31.081 4.440 1.00 23.21 C ATOM 2318 OE1 GLN C 39 -19.342 -30.175 4.053 1.00 26.35 O ATOM 2319 NE2 GLN C 39 -18.979 -32.290 4.791 1.00 22.39 N ATOM 2320 HA GLN C 39 -18.361 -30.761 7.054 1.00 0.00 H ATOM 2321 HB2 GLN C 39 -15.569 -30.322 5.919 1.00 0.00 H ATOM 2322 HB3 GLN C 39 -16.352 -31.892 6.215 1.00 0.00 H ATOM 2323 HG2 GLN C 39 -16.852 -29.875 4.075 1.00 0.00 H ATOM 2324 HG3 GLN C 39 -16.568 -31.627 3.951 1.00 0.00 H ATOM 2325 HE22 GLN C 39 -18.294 -33.006 5.105 1.00 0.00 H ATOM 2326 HE21 GLN C 39 -19.992 -32.521 4.752 1.00 0.00 H ATOM 2327 H GLN C 39 -17.383 -28.390 5.761 1.00 0.00 H ATOM 2328 N LEU C 40 -15.788 -29.299 8.547 1.00 17.80 N ATOM 2329 CA LEU C 40 -15.027 -29.258 9.798 1.00 17.99 C ATOM 2330 C LEU C 40 -15.879 -28.930 11.031 1.00 18.88 C ATOM 2331 O LEU C 40 -15.651 -29.476 12.120 1.00 18.97 O ATOM 2332 CB LEU C 40 -13.869 -28.274 9.703 1.00 17.99 C ATOM 2333 CG LEU C 40 -12.800 -28.556 8.637 1.00 17.87 C ATOM 2334 CD1 LEU C 40 -11.758 -27.439 8.638 1.00 15.69 C ATOM 2335 CD2 LEU C 40 -12.165 -29.954 8.846 1.00 16.53 C ATOM 2336 HA LEU C 40 -14.645 -30.270 9.935 1.00 0.00 H ATOM 2337 HB2 LEU C 40 -14.289 -27.290 9.495 1.00 0.00 H ATOM 2338 HB3 LEU C 40 -13.371 -28.257 10.672 1.00 0.00 H ATOM 2339 HG LEU C 40 -13.269 -28.571 7.653 1.00 0.00 H ATOM 2340 HD21 LEU C 40 -11.699 -29.996 9.830 1.00 0.00 H ATOM 2341 HD22 LEU C 40 -12.940 -30.718 8.776 1.00 0.00 H ATOM 2342 HD23 LEU C 40 -11.412 -30.128 8.078 1.00 0.00 H ATOM 2343 HD11 LEU C 40 -12.245 -26.489 8.417 1.00 0.00 H ATOM 2344 HD12 LEU C 40 -11.284 -27.387 9.618 1.00 0.00 H ATOM 2345 HD13 LEU C 40 -11.004 -27.647 7.879 1.00 0.00 H ATOM 2346 H LEU C 40 -15.614 -28.577 7.819 1.00 0.00 H ATOM 2347 N GLN C 41 -16.826 -28.015 10.883 1.00 19.01 N ATOM 2348 CA GLN C 41 -17.745 -27.713 11.988 1.00 20.74 C ATOM 2349 C GLN C 41 -18.578 -28.954 12.332 1.00 21.93 C ATOM 2350 O GLN C 41 -18.763 -29.294 13.498 1.00 22.01 O ATOM 2351 CB GLN C 41 -18.643 -26.535 11.631 1.00 19.28 C ATOM 2352 CG GLN C 41 -19.681 -26.185 12.705 1.00 21.24 C ATOM 2353 CD GLN C 41 -20.717 -25.232 12.173 1.00 20.48 C ATOM 2354 OE1 GLN C 41 -21.122 -25.317 10.999 1.00 22.61 O ATOM 2355 NE2 GLN C 41 -21.131 -24.295 13.006 1.00 20.21 N ATOM 2356 HA GLN C 41 -17.162 -27.435 12.866 1.00 0.00 H ATOM 2357 HB2 GLN C 41 -18.012 -25.661 11.468 1.00 0.00 H ATOM 2358 HB3 GLN C 41 -19.173 -26.776 10.709 1.00 0.00 H ATOM 2359 HG2 GLN C 41 -20.175 -27.100 13.034 1.00 0.00 H ATOM 2360 HG3 GLN C 41 -19.174 -25.723 13.552 1.00 0.00 H ATOM 2361 HE22 GLN C 41 -20.764 -24.264 13.978 1.00 0.00 H ATOM 2362 HE21 GLN C 41 -21.824 -23.587 12.690 1.00 0.00 H ATOM 2363 H GLN C 41 -16.919 -27.508 9.980 1.00 0.00 H ATOM 2364 N ALA C 42 -19.060 -29.641 11.311 1.00 24.18 N ATOM 2365 CA ALA C 42 -19.871 -30.832 11.526 1.00 26.70 C ATOM 2366 C ALA C 42 -19.088 -31.976 12.168 1.00 28.62 C ATOM 2367 O ALA C 42 -19.658 -32.720 12.972 1.00 28.71 O ATOM 2368 CB ALA C 42 -20.536 -31.270 10.227 1.00 26.82 C ATOM 2369 HA ALA C 42 -20.650 -30.563 12.240 1.00 0.00 H ATOM 2370 HB1 ALA C 42 -21.176 -30.468 9.860 1.00 0.00 H ATOM 2371 HB2 ALA C 42 -19.769 -31.493 9.485 1.00 0.00 H ATOM 2372 HB3 ALA C 42 -21.137 -32.161 10.410 1.00 0.00 H ATOM 2373 H ALA C 42 -18.857 -29.327 10.340 1.00 0.00 H ATOM 2374 N ARG C 43 -17.803 -32.120 11.821 1.00 30.24 N ATOM 2375 CA ARG C 43 -16.939 -33.117 12.482 1.00 32.80 C ATOM 2376 C ARG C 43 -16.686 -32.773 13.952 1.00 33.64 C ATOM 2377 O ARG C 43 -16.764 -33.650 14.819 1.00 33.76 O ATOM 2378 CB ARG C 43 -15.603 -33.337 11.744 1.00 32.07 C ATOM 2379 CG ARG C 43 -14.713 -34.417 12.411 1.00 33.88 C ATOM 2380 CD ARG C 43 -13.522 -34.855 11.561 1.00 35.39 C ATOM 2381 NE ARG C 43 -13.143 -36.277 11.722 1.00 41.47 N ATOM 2382 CZ ARG C 43 -12.643 -36.837 12.831 1.00 42.06 C ATOM 2383 NH1 ARG C 43 -12.474 -36.132 13.944 1.00 43.62 N ATOM 2384 NH2 ARG C 43 -12.326 -38.128 12.834 1.00 44.10 N ATOM 2385 HA ARG C 43 -17.492 -34.056 12.440 1.00 0.00 H ATOM 2386 HB2 ARG C 43 -15.818 -33.647 10.721 1.00 0.00 H ATOM 2387 HB3 ARG C 43 -15.055 -32.395 11.730 1.00 0.00 H ATOM 2388 HG2 ARG C 43 -14.334 -34.016 13.351 1.00 0.00 H ATOM 2389 HG3 ARG C 43 -15.330 -35.292 12.613 1.00 0.00 H ATOM 2390 HD2 ARG C 43 -12.664 -34.241 11.834 1.00 0.00 H ATOM 2391 HD3 ARG C 43 -13.770 -34.685 10.513 1.00 0.00 H ATOM 2392 HE ARG C 43 -13.277 -36.898 10.899 1.00 0.00 H ATOM 2393 HH12 ARG C 43 -12.084 -36.587 14.794 1.00 0.00 H ATOM 2394 HH11 ARG C 43 -12.732 -35.125 13.966 1.00 0.00 H ATOM 2395 HH22 ARG C 43 -11.937 -38.566 13.694 1.00 0.00 H ATOM 2396 HH21 ARG C 43 -12.467 -38.700 11.977 1.00 0.00 H ATOM 2397 H ARG C 43 -17.406 -31.518 11.072 1.00 0.00 H ATOM 2398 N ILE C 44 -16.387 -31.507 14.243 1.00 34.93 N ATOM 2399 CA ILE C 44 -16.166 -31.115 15.643 1.00 36.46 C ATOM 2400 C ILE C 44 -17.452 -31.103 16.494 1.00 37.29 C ATOM 2401 O ILE C 44 -17.380 -31.339 17.704 1.00 38.54 O ATOM 2402 CB ILE C 44 -15.359 -29.798 15.815 1.00 36.19 C ATOM 2403 CG1 ILE C 44 -16.200 -28.572 15.475 1.00 36.58 C ATOM 2404 CG2 ILE C 44 -14.050 -29.836 15.002 1.00 36.64 C ATOM 2405 CD1 ILE C 44 -15.404 -27.262 15.500 1.00 37.89 C ATOM 2406 HA ILE C 44 -15.536 -31.913 16.035 1.00 0.00 H ATOM 2407 HB ILE C 44 -15.088 -29.715 16.868 1.00 0.00 H ATOM 2408 HG12 ILE C 44 -16.617 -28.705 14.477 1.00 0.00 H ATOM 2409 HG13 ILE C 44 -17.011 -28.498 16.199 1.00 0.00 H ATOM 2410 HD11 ILE C 44 -14.989 -27.109 16.496 1.00 0.00 H ATOM 2411 HD12 ILE C 44 -14.594 -27.316 14.772 1.00 0.00 H ATOM 2412 HD13 ILE C 44 -16.065 -26.432 15.249 1.00 0.00 H ATOM 2413 HG21 ILE C 44 -13.435 -30.668 15.344 1.00 0.00 H ATOM 2414 HG22 ILE C 44 -14.284 -29.966 13.945 1.00 0.00 H ATOM 2415 HG23 ILE C 44 -13.509 -28.901 15.143 1.00 0.00 H ATOM 2416 H ILE C 44 -16.310 -30.800 13.484 1.00 0.00 H ATOM 2417 N LEU C 45 -18.610 -30.863 15.873 1.00 37.47 N ATOM 2418 CA LEU C 45 -19.903 -30.887 16.596 1.00 38.14 C ATOM 2419 C LEU C 45 -20.571 -32.264 16.728 1.00 38.69 C ATOM 2420 O LEU C 45 -21.570 -32.396 17.436 1.00 39.21 O ATOM 2421 CB LEU C 45 -20.912 -29.891 15.990 1.00 37.57 C ATOM 2422 CG LEU C 45 -20.638 -28.378 15.990 1.00 37.14 C ATOM 2423 CD1 LEU C 45 -21.802 -27.621 15.365 1.00 35.47 C ATOM 2424 CD2 LEU C 45 -20.355 -27.846 17.392 1.00 38.53 C ATOM 2425 HA LEU C 45 -19.627 -30.589 17.608 1.00 0.00 H ATOM 2426 HB2 LEU C 45 -21.044 -30.181 14.948 1.00 0.00 H ATOM 2427 HB3 LEU C 45 -21.849 -30.035 16.528 1.00 0.00 H ATOM 2428 HG LEU C 45 -19.743 -28.215 15.389 1.00 0.00 H ATOM 2429 HD21 LEU C 45 -21.217 -28.036 18.032 1.00 0.00 H ATOM 2430 HD22 LEU C 45 -19.479 -28.350 17.801 1.00 0.00 H ATOM 2431 HD23 LEU C 45 -20.168 -26.773 17.341 1.00 0.00 H ATOM 2432 HD11 LEU C 45 -21.941 -27.955 14.337 1.00 0.00 H ATOM 2433 HD12 LEU C 45 -22.709 -27.816 15.937 1.00 0.00 H ATOM 2434 HD13 LEU C 45 -21.586 -26.553 15.376 1.00 0.00 H ATOM 2435 H LEU C 45 -18.604 -30.654 14.854 1.00 0.00 H TER 2436 LEU C 45 HETATM 2437 O HOH 1 -12.346 -18.432 2.081 1.00 15.59 O HETATM 2438 O HOH 2 -9.256 -18.382 16.653 1.00 19.45 O HETATM 2439 O HOH 3 -15.606 -20.988 18.873 1.00 22.00 O HETATM 2440 O HOH 4 -23.188 -3.385 -15.756 1.00 26.96 O HETATM 2441 O HOH 5 -21.603 -12.206 -0.692 1.00 20.00 O HETATM 2442 O HOH 6 -18.177 -6.085 0.158 1.00 24.34 O HETATM 2443 O HOH 7 -14.277 -11.606 9.044 1.00 30.86 O HETATM 2444 O HOH 8 -19.532 -10.506 5.297 1.00 34.64 O HETATM 2445 O HOH 9 -4.369 -23.583 15.253 1.00 38.14 O HETATM 2446 O HOH 10 -18.718 -18.801 17.909 1.00 53.48 O HETATM 2447 O HOH 11 -16.102 -3.343 -5.553 1.00 31.51 O HETATM 2448 O HOH 12 -7.487 1.907 -41.536 1.00 55.94 O HETATM 2449 O HOH 13 -18.162 -4.858 -27.521 1.00 48.02 O HETATM 2450 O HOH 14 -14.709 -21.490 21.220 1.00 34.62 O HETATM 2451 O HOH 15 -14.395 5.893 -19.020 1.00 32.87 O HETATM 2452 O HOH 16 -13.214 -12.465 11.694 1.00 30.43 O HETATM 2453 O HOH 17 -22.126 -8.390 -10.965 1.00 36.27 O HETATM 2454 O HOH 18 -3.700 -25.602 13.520 1.00 36.02 O HETATM 2455 O HOH 19 -24.438 -6.974 -12.310 1.00 51.43 O HETATM 2456 O HOH 20 -22.448 0.970 -17.077 1.00 42.54 O HETATM 2457 O HOH 21 -21.607 2.050 -20.157 1.00 41.78 O HETATM 2458 O HOH 22 -17.482 1.513 -15.050 1.00 32.41 O HETATM 2459 O HOH 23 -9.205 -15.944 17.943 1.00 40.58 O HETATM 2460 O HOH 24 -10.964 -8.241 1.589 1.00 45.05 O HETATM 2461 O HOH 25 -2.697 -21.693 0.592 1.00 24.26 O HETATM 2462 O HOH 26 -2.448 -24.226 1.644 1.00 26.84 O HETATM 2463 O HOH 27 -10.880 13.847 -33.278 1.00 18.98 O HETATM 2464 O HOH 28 -5.901 6.723 -23.453 1.00 34.90 O HETATM 2465 O HOH 29 -9.177 15.230 -30.473 1.00 17.40 O HETATM 2466 O HOH 30 -11.985 17.035 -26.758 1.00 21.52 O HETATM 2467 O HOH 31 -14.232 11.931 -22.394 1.00 25.15 O HETATM 2468 O HOH 32 -5.447 -31.061 5.915 1.00 19.58 O HETATM 2469 O HOH 33 0.002 -20.889 0.947 1.00 23.08 O HETATM 2470 O HOH 34 -1.635 -15.229 1.158 1.00 22.92 O HETATM 2471 O HOH 35 -11.670 -4.387 -16.419 1.00 24.26 O HETATM 2472 O HOH 36 -11.824 -33.876 7.320 1.00 24.52 O HETATM 2473 O HOH 37 -5.103 -9.686 0.887 1.00 27.11 O HETATM 2474 O HOH 38 -9.765 10.983 -18.153 1.00 37.36 O HETATM 2475 O HOH 39 -4.852 -0.437 -16.643 1.00 43.99 O HETATM 2476 O HOH 40 -2.318 -28.553 12.053 1.00 33.70 O HETATM 2477 O HOH 41 -2.403 -12.080 -5.245 1.00 31.58 O HETATM 2478 O HOH 42 -4.727 -20.199 -2.855 1.00 40.64 O HETATM 2479 O HOH 43 -1.817 -14.912 -4.192 1.00 26.91 O HETATM 2480 O HOH 44 -0.189 -13.240 2.282 1.00 34.39 O HETATM 2481 O HOH 45 -0.472 -25.501 3.273 1.00 56.30 O HETATM 2482 O HOH 46 -18.032 7.413 -31.536 1.00 45.79 O HETATM 2483 O HOH 47 -17.159 8.876 -29.342 1.00 51.01 O HETATM 2484 O HOH 48 -5.155 6.002 -16.380 1.00 35.88 O HETATM 2485 O HOH 49 -4.184 -2.912 -16.294 1.00 48.40 O HETATM 2486 O HOH 50 -3.034 -21.747 -1.713 1.00 33.33 O HETATM 2487 O HOH 51 3.009 -14.600 -3.087 1.00 43.96 O HETATM 2488 O HOH 52 4.170 -12.200 -3.604 1.00 48.15 O HETATM 2489 O HOH 53 -12.242 16.483 -24.168 1.00 38.33 O HETATM 2490 O HOH 54 -5.613 -33.497 7.109 1.00 35.62 O HETATM 2491 O HOH 55 -7.839 -1.438 -5.663 1.00 36.98 O HETATM 2492 O HOH 56 -15.430 -3.943 -3.175 1.00 35.59 O HETATM 2493 O HOH 57 -13.362 12.739 -34.985 1.00 30.15 O HETATM 2494 O HOH 58 -14.445 18.100 -27.265 1.00 33.46 O HETATM 2495 O HOH 59 -9.792 18.831 -27.169 1.00 44.82 O HETATM 2496 O HOH 60 -21.412 -27.825 9.551 1.00 20.73 O HETATM 2497 O HOH 61 -10.822 -22.448 -8.875 1.00 18.08 O HETATM 2498 O HOH 62 -16.407 -24.692 -6.022 1.00 22.71 O HETATM 2499 O HOH 63 -13.227 -21.450 -13.555 1.00 35.56 O HETATM 2500 O HOH 64 -11.888 -4.960 -30.584 1.00 48.52 O HETATM 2501 O HOH 65 -17.188 -19.798 -11.067 1.00 25.95 O HETATM 2502 O HOH 66 -22.542 -18.896 -1.835 1.00 27.46 O HETATM 2503 O HOH 67 -8.574 -12.599 -23.556 1.00 46.75 O HETATM 2504 O HOH 68 -22.348 -28.572 11.805 1.00 31.56 O HETATM 2505 O HOH 69 -7.459 -15.475 -16.579 1.00 29.34 O HETATM 2506 O HOH 70 -18.110 -15.472 -12.471 1.00 36.22 O HETATM 2507 O HOH 71 -12.353 -19.739 -15.291 1.00 37.40 O HETATM 2508 O HOH 72 -19.936 -24.125 -0.987 1.00 30.71 O HETATM 2509 O HOH 73 -21.154 -25.640 1.146 1.00 25.61 O HETATM 2510 O HOH 74 -26.695 -26.672 7.660 1.00 35.15 O HETATM 2511 O HOH 75 -5.319 5.356 -37.635 1.00 39.18 O HETATM 2512 O HOH 76 -16.524 -14.383 -14.296 1.00 30.51 O HETATM 2513 O HOH 77 -27.019 -26.337 5.130 1.00 29.80 O HETATM 2514 O HOH 78 -18.148 -33.441 8.443 1.00 30.05 O HETATM 2515 O HOH 79 -18.806 -23.583 -7.357 1.00 44.13 O HETATM 2516 O HOH 80 -21.280 -31.285 6.550 1.00 41.49 O HETATM 2517 O HOH 81 -19.857 -24.351 15.601 1.00 34.23 O HETATM 2518 O HOH 82 -26.828 -28.637 4.357 1.00 40.12 O HETATM 2519 O HOH 83 -23.809 -28.383 8.465 1.00 36.24 O HETATM 2520 O HOH 84 -4.390 13.728 -33.880 1.00 32.52 O HETATM 2521 O HOH 85 -26.500 -25.601 1.080 1.00 31.32 O HETATM 2522 O HOH 86 -25.595 -22.170 2.583 1.00 17.38 O HETATM 2523 O HOH 87 -22.130 -13.196 1.675 1.00 21.90 O HETATM 2524 O HOH 88 -26.948 -23.766 9.862 1.00 30.69 O HETATM 2525 O HOH 89 -24.688 -12.958 5.265 1.00 24.26 O HETATM 2526 O HOH 90 -24.275 -26.226 11.827 1.00 34.23 O HETATM 2527 O HOH 91 -22.303 -14.579 -1.738 1.00 34.62 O HETATM 2528 O HOH 92 -29.276 -18.122 7.222 1.00 29.13 O HETATM 2529 O HOH 93 -27.252 -24.163 3.200 1.00 23.38 O HETATM 2530 O HOH 94 -22.897 -11.458 3.679 1.00 28.70 O HETATM 2531 O HOH 95 -19.399 -21.191 17.325 1.00 39.92 O HETATM 2532 O HOH 96 -19.520 -13.318 10.464 1.00 37.82 O HETATM 2533 O HOH 97 1.746 -15.734 5.816 1.00 24.39 O HETATM 2534 O HOH 98 -9.916 -8.595 5.650 1.00 28.26 O HETATM 2535 O HOH 99 7.027 -24.896 8.971 1.00 35.34 O HETATM 2536 O HOH 100 5.600 -19.743 15.407 1.00 41.35 O HETATM 2537 O HOH 101 3.576 -20.450 17.829 1.00 36.31 O HETATM 2538 O HOH 102 -8.188 -9.928 11.611 1.00 30.73 O HETATM 2539 O HOH 103 -0.813 -12.596 18.113 1.00 37.71 O HETATM 2540 O HOH 104 -0.657 -23.225 14.866 1.00 33.02 O HETATM 2541 O HOH 105 5.377 -24.930 13.248 1.00 39.06 O HETATM 2542 O HOH 106 -6.886 -8.670 2.732 1.00 38.72 O HETATM 2543 O HOH 107 3.776 -14.723 14.239 1.00 39.86 O HETATM 2544 O HOH 108 0.965 -14.333 12.756 1.00 30.97 O HETATM 2545 O HOH 109 -5.407 -17.271 17.882 1.00 33.08 O HETATM 2546 O HOH 110 3.691 -24.372 9.022 1.00 43.30 O HETATM 2547 O HOH 111 3.022 -12.897 15.700 1.00 47.14 O HETATM 2548 O HOH 112 -4.575 -10.878 3.192 1.00 31.58 O HETATM 2549 O HOH 113 -7.234 -8.647 14.011 1.00 34.51 O HETATM 2550 O HOH 114 -4.241 -13.751 16.622 1.00 44.95 O HETATM 2551 O HOH 115 1.757 -23.404 2.512 1.00 50.39 O HETATM 2552 O HOH 116 3.252 -23.814 4.598 1.00 39.10 O HETATM 2553 O HOH 117 -6.301 -35.093 0.254 1.00 16.02 O HETATM 2554 O HOH 118 -6.487 -34.661 4.248 1.00 18.58 O HETATM 2555 O HOH 119 -15.197 -34.538 5.874 1.00 36.97 O HETATM 2556 O HOH 120 -11.306 -24.491 -7.245 1.00 26.42 O HETATM 2557 O HOH 121 -16.928 -29.140 -2.250 1.00 17.12 O HETATM 2558 O HOH 122 -20.604 -33.917 1.563 1.00 26.85 O HETATM 2559 O HOH 123 -6.316 -37.068 -5.865 1.00 31.32 O HETATM 2560 O HOH 124 -8.257 -22.306 -8.229 1.00 25.98 O HETATM 2561 O HOH 125 -5.328 -22.912 -5.292 1.00 22.84 O HETATM 2562 O HOH 126 -16.588 -40.530 0.080 1.00 29.91 O HETATM 2563 O HOH 127 -6.500 -38.868 -0.937 1.00 32.28 O HETATM 2564 O HOH 128 -19.401 -37.273 5.380 1.00 43.23 O HETATM 2565 O HOH 129 -5.608 -39.003 -4.178 1.00 32.74 O HETATM 2566 O HOH 130 -12.411 -28.823 -7.494 1.00 25.94 O HETATM 2567 O HOH 131 -13.426 -26.224 -8.112 1.00 36.59 O HETATM 2568 O HOH 132 -7.246 -20.065 -8.169 1.00 44.77 O HETATM 2569 N DLY A 133 -20.033 -12.394 18.043 1.00 0.24 N HETATM 2570 CA DLY A 133 -20.516 -11.426 17.022 1.00 0.07 C HETATM 2571 C DLY A 133 -20.187 -11.932 15.618 1.00 0.23 C HETATM 2572 O DLY A 133 -19.012 -12.029 15.255 1.00 -0.39 O HETATM 2573 N DLY A 133 -21.223 -12.261 14.845 1.00 -0.26 N HETATM 2574 CA DLY A 133 -21.070 -12.739 13.470 1.00 0.12 C HETATM 2575 C DLY A 133 -21.945 -13.942 13.177 1.00 0.20 C HETATM 2576 O DLY A 133 -22.822 -14.277 13.976 1.00 -0.39 O HETATM 2577 N DLY A 133 -21.718 -14.567 12.024 1.00 -0.26 N HETATM 2578 CA DLY A 133 -22.381 -15.824 11.653 1.00 0.13 C HETATM 2579 CB DLY A 133 -22.019 -16.229 10.218 1.00 -0.02 C HETATM 2580 H21 DLY A 133 -22.526 -17.171 9.964 1.00 0.03 H HETATM 2581 H22 DLY A 133 -20.930 -16.366 10.139 1.00 0.03 H HETATM 2582 H23 DLY A 133 -22.341 -15.440 9.522 1.00 0.03 H HETATM 2583 C DLY A 133 -23.891 -15.754 11.796 1.00 0.20 C HETATM 2584 O DLY A 133 -24.526 -16.732 12.180 1.00 -0.39 O HETATM 2585 N DLY A 133 -24.449 -14.591 11.475 1.00 -0.26 N HETATM 2586 CA DLY A 133 -25.898 -14.424 11.371 1.00 0.14 C HETATM 2587 C DLY A 133 -26.573 -14.573 12.724 1.00 0.20 C HETATM 2588 O DLY A 133 -27.746 -14.922 12.793 1.00 -0.39 O HETATM 2589 N DLY A 133 -25.804 -14.351 13.790 1.00 -0.26 N HETATM 2590 CA DLY A 133 -26.301 -14.423 15.163 1.00 0.14 C HETATM 2591 C DLY A 133 -26.417 -15.841 15.714 1.00 0.21 C HETATM 2592 O DLY A 133 -27.059 -16.047 16.746 1.00 -0.39 O HETATM 2593 N DLY A 133 -25.800 -16.805 15.031 1.00 -0.26 N HETATM 2594 CA DLY A 133 -25.689 -18.166 15.550 1.00 0.14 C HETATM 2595 C DLY A 133 -26.524 -19.135 14.739 1.00 0.21 C HETATM 2596 O DLY A 133 -26.333 -19.252 13.528 1.00 -0.39 O HETATM 2597 N DLY A 133 -27.419 -19.874 15.405 1.00 -0.25 N HETATM 2598 CA DLY A 133 -28.169 -20.929 14.721 1.00 0.13 C HETATM 2599 CB DLY A 133 -28.979 -21.594 15.850 1.00 -0.01 C HETATM 2600 CG DLY A 133 -28.413 -21.088 17.106 1.00 -0.03 C HETATM 2601 CD DLY A 133 -27.801 -19.757 16.821 1.00 0.04 C HETATM 2602 H46 DLY A 133 -28.529 -18.946 16.970 1.00 0.05 H HETATM 2603 H47 DLY A 133 -26.920 -19.581 17.456 1.00 0.05 H HETATM 2604 H44 DLY A 133 -27.645 -21.782 17.478 1.00 0.03 H HETATM 2605 H45 DLY A 133 -29.207 -20.982 17.860 1.00 0.03 H HETATM 2606 H42 DLY A 133 -28.879 -22.688 15.799 1.00 0.03 H HETATM 2607 H43 DLY A 133 -30.041 -21.319 15.771 1.00 0.03 H HETATM 2608 C DLY A 133 -27.258 -21.955 14.025 1.00 0.20 C HETATM 2609 O DLY A 133 -27.591 -22.413 12.941 1.00 -0.39 O HETATM 2610 N DLY A 133 -26.126 -22.304 14.643 1.00 -0.26 N HETATM 2611 CA DLY A 133 -25.192 -23.295 14.075 1.00 0.13 C HETATM 2612 C DLY A 133 -24.516 -22.830 12.775 1.00 0.20 C HETATM 2613 O DLY A 133 -23.941 -23.655 12.042 1.00 -0.39 O HETATM 2614 N DLY A 133 -24.539 -21.521 12.512 1.00 -0.26 N HETATM 2615 CA DLY A 133 -23.783 -20.946 11.388 1.00 0.14 C HETATM 2616 CB DLY A 133 -22.844 -19.842 11.868 1.00 0.00 C HETATM 2617 CG DLY A 133 -21.714 -20.352 12.688 1.00 -0.04 C HETATM 2618 CD1 DLY A 133 -21.616 -20.351 14.045 1.00 0.02 C HETATM 2619 NE1 DLY A 133 -20.412 -20.930 14.431 1.00 -0.29 N HETATM 2620 CE2 DLY A 133 -19.715 -21.296 13.307 1.00 0.06 C HETATM 2621 CZ2 DLY A 133 -18.455 -21.899 13.176 1.00 -0.04 C HETATM 2622 CH2 DLY A 133 -18.006 -22.169 11.899 1.00 -0.08 C HETATM 2623 CZ3 DLY A 133 -18.769 -21.852 10.773 1.00 -0.08 C HETATM 2624 CE3 DLY A 133 -20.027 -21.256 10.900 1.00 -0.07 C HETATM 2625 CD2 DLY A 133 -20.511 -20.966 12.191 1.00 -0.02 C HETATM 2626 H63 DLY A 133 -20.619 -21.021 10.022 1.00 0.05 H HETATM 2627 H62 DLY A 133 -18.380 -22.072 9.785 1.00 0.05 H HETATM 2628 H61 DLY A 133 -17.038 -22.638 11.767 1.00 0.05 H HETATM 2629 H60 DLY A 133 -17.856 -22.144 14.046 1.00 0.05 H HETATM 2630 H59 DLY A 133 -20.095 -21.062 15.402 1.00 0.22 H HETATM 2631 H58 DLY A 133 -22.368 -19.956 14.727 1.00 0.08 H HETATM 2632 H56 DLY A 133 -23.423 -19.130 12.474 1.00 0.04 H HETATM 2633 H57 DLY A 133 -22.433 -19.325 10.988 1.00 0.04 H HETATM 2634 C DLY A 133 -24.722 -20.369 10.319 1.00 0.21 C HETATM 2635 O DLY A 133 -24.298 -19.596 9.471 1.00 -0.39 O HETATM 2636 N DLY A 133 -25.994 -20.735 10.382 1.00 -0.26 N HETATM 2637 CA DLY A 133 -26.983 -20.187 9.434 1.00 0.13 C HETATM 2638 C DLY A 133 -26.622 -20.501 7.984 1.00 0.20 C HETATM 2639 O DLY A 133 -26.850 -19.687 7.102 1.00 -0.39 O HETATM 2640 N DLY A 133 -26.027 -21.666 7.747 1.00 -0.26 N HETATM 2641 CA DLY A 133 -25.665 -22.070 6.391 1.00 0.14 C HETATM 2642 CB DLY A 133 -25.171 -23.531 6.375 1.00 0.00 C HETATM 2643 CG DLY A 133 -23.945 -23.707 7.246 1.00 -0.04 C HETATM 2644 CD1 DLY A 133 -23.925 -24.032 8.567 1.00 0.02 C HETATM 2645 NE1 DLY A 133 -22.614 -24.061 9.028 1.00 -0.29 N HETATM 2646 CE2 DLY A 133 -21.772 -23.760 7.994 1.00 0.06 C HETATM 2647 CZ2 DLY A 133 -20.377 -23.652 7.974 1.00 -0.04 C HETATM 2648 CH2 DLY A 133 -19.779 -23.308 6.774 1.00 -0.08 C HETATM 2649 CZ3 DLY A 133 -20.542 -23.074 5.622 1.00 -0.08 C HETATM 2650 CE3 DLY A 133 -21.940 -23.180 5.645 1.00 -0.07 C HETATM 2651 CD2 DLY A 133 -22.571 -23.507 6.856 1.00 -0.02 C HETATM 2652 H81 DLY A 133 -22.522 -23.013 4.746 1.00 0.05 H HETATM 2653 H80 DLY A 133 -20.043 -22.807 4.698 1.00 0.05 H HETATM 2654 H79 DLY A 133 -18.700 -23.218 6.724 1.00 0.05 H HETATM 2655 H78 DLY A 133 -19.787 -23.831 8.865 1.00 0.05 H HETATM 2656 H77 DLY A 133 -22.324 -24.275 9.993 1.00 0.22 H HETATM 2657 H76 DLY A 133 -24.806 -24.239 9.173 1.00 0.08 H HETATM 2658 H74 DLY A 133 -24.920 -23.813 5.342 1.00 0.04 H HETATM 2659 H75 DLY A 133 -25.973 -24.184 6.749 1.00 0.04 H HETATM 2660 C DLY A 133 -24.606 -21.099 5.813 1.00 0.21 C HETATM 2661 O DLY A 133 -24.580 -20.844 4.603 1.00 -0.39 O HETATM 2662 N DLY A 133 -23.755 -20.563 6.688 1.00 -0.26 N HETATM 2663 CA DLY A 133 -22.641 -19.711 6.284 1.00 0.13 C HETATM 2664 CB DLY A 133 -21.526 -19.738 7.342 1.00 -0.01 C HETATM 2665 CG DLY A 133 -20.302 -18.823 7.147 1.00 -0.04 C HETATM 2666 CD1 DLY A 133 -19.586 -19.042 5.774 1.00 -0.06 C HETATM 2667 H87 DLY A 133 -18.725 -18.362 5.697 1.00 0.02 H HETATM 2668 H88 DLY A 133 -20.291 -18.835 4.956 1.00 0.02 H HETATM 2669 H89 DLY A 133 -19.238 -20.083 5.704 1.00 0.02 H HETATM 2670 CD2 DLY A 133 -19.343 -19.038 8.324 1.00 -0.06 C HETATM 2671 H90 DLY A 133 -19.881 -18.876 9.270 1.00 0.02 H HETATM 2672 H91 DLY A 133 -18.507 -18.326 8.251 1.00 0.02 H HETATM 2673 H92 DLY A 133 -18.953 -20.066 8.296 1.00 0.02 H HETATM 2674 H86 DLY A 133 -20.651 -17.780 7.173 1.00 0.03 H HETATM 2675 H84 DLY A 133 -21.153 -20.772 7.394 1.00 0.03 H HETATM 2676 H85 DLY A 133 -21.985 -19.465 8.304 1.00 0.03 H HETATM 2677 C DLY A 133 -23.133 -18.298 6.052 1.00 0.20 C HETATM 2678 O DLY A 133 -22.782 -17.664 5.079 1.00 -0.39 O HETATM 2679 N DLY A 133 -23.989 -17.828 6.947 1.00 -0.26 N HETATM 2680 CA DLY A 133 -24.664 -16.557 6.788 1.00 0.14 C HETATM 2681 C DLY A 133 -25.410 -16.539 5.444 1.00 0.20 C HETATM 2682 O DLY A 133 -25.386 -15.544 4.707 1.00 -0.39 O HETATM 2683 N DLY A 133 -26.067 -17.647 5.127 1.00 -0.26 N HETATM 2684 CA DLY A 133 -26.854 -17.775 3.888 1.00 0.13 C HETATM 2685 CB DLY A 133 -27.716 -19.038 3.929 1.00 -0.02 C HETATM 2686 H99 DLY A 133 -28.296 -19.117 2.997 1.00 0.03 H HETATM 2687 H100 DLY A 133 -28.404 -18.985 4.785 1.00 0.03 H HETATM 2688 H101 DLY A 133 -27.068 -19.921 4.034 1.00 0.03 H HETATM 2689 C DLY A 133 -25.975 -17.758 2.634 1.00 0.20 C HETATM 2690 O DLY A 133 -26.352 -17.157 1.626 1.00 -0.39 O HETATM 2691 N DLY A 133 -24.804 -18.394 2.719 1.00 -0.26 N HETATM 2692 CA DLY A 133 -23.813 -18.422 1.640 1.00 0.14 C HETATM 2693 CB DLY A 133 -22.614 -19.355 2.025 1.00 -0.02 C HETATM 2694 H104 DLY A 133 -21.880 -19.365 1.206 1.00 0.03 H HETATM 2695 H105 DLY A 133 -22.985 -20.376 2.198 1.00 0.03 H HETATM 2696 H106 DLY A 133 -22.136 -18.978 2.941 1.00 0.03 H HETATM 2697 C DLY A 133 -23.297 -17.027 1.265 1.00 0.26 C HETATM 2698 O DLY A 133 -22.894 -16.793 0.125 1.00 -0.37 O HETATM 2699 O DLY A 133 -23.285 -16.061 2.179 1.00 -0.29 O HETATM 2700 H107 DLY A 133 -23.624 -16.399 3.000 1.00 0.25 H HETATM 2701 H103 DLY A 133 -24.303 -18.845 0.751 1.00 0.08 H HETATM 2702 H102 DLY A 133 -24.591 -18.879 3.567 1.00 0.19 H HETATM 2703 H98 DLY A 133 -27.528 -16.907 3.832 1.00 0.08 H HETATM 2704 H97 DLY A 133 -26.026 -18.426 5.753 1.00 0.19 H HETATM 2705 CB DLY A 133 -25.634 -16.379 7.970 1.00 0.04 C HETATM 2706 SG DLY A 133 -26.420 -14.792 8.037 1.00 -0.09 S HETATM 2707 SG DLY A 133 -25.829 -13.046 8.969 1.00 -0.09 S HETATM 2708 CB DLY A 133 -26.232 -13.070 10.737 1.00 0.04 C HETATM 2709 H26 DLY A 133 -25.654 -12.285 11.246 1.00 0.04 H HETATM 2710 H27 DLY A 133 -27.307 -12.873 10.861 1.00 0.04 H HETATM 2711 H95 DLY A 133 -25.070 -16.523 8.903 1.00 0.04 H HETATM 2712 H96 DLY A 133 -26.417 -17.148 7.892 1.00 0.04 H HETATM 2713 H94 DLY A 133 -23.925 -15.742 6.799 1.00 0.08 H HETATM 2714 H93 DLY A 133 -24.176 -18.372 7.765 1.00 0.19 H HETATM 2715 H83 DLY A 133 -22.230 -20.097 5.339 1.00 0.08 H HETATM 2716 H82 DLY A 133 -23.885 -20.753 7.661 1.00 0.19 H HETATM 2717 H73 DLY A 133 -26.564 -22.009 5.760 1.00 0.08 H HETATM 2718 H72 DLY A 133 -25.823 -22.277 8.512 1.00 0.19 H HETATM 2719 CB DLY A 133 -28.398 -20.673 9.777 1.00 0.00 C HETATM 2720 CG DLY A 133 -28.965 -20.018 11.043 1.00 0.04 C HETATM 2721 CD DLY A 133 -28.772 -18.515 11.027 1.00 0.17 C HETATM 2722 OE1 DLY A 133 -29.219 -17.827 10.111 1.00 -0.40 O HETATM 2723 NE2 DLY A 133 -28.074 -18.002 12.021 1.00 -0.30 N HETATM 2724 H70 DLY A 133 -27.914 -17.016 12.063 1.00 0.18 H HETATM 2725 H71 DLY A 133 -27.704 -18.599 12.733 1.00 0.18 H HETATM 2726 H68 DLY A 133 -28.451 -20.435 11.922 1.00 0.05 H HETATM 2727 H69 DLY A 133 -30.041 -20.239 11.108 1.00 0.05 H HETATM 2728 H66 DLY A 133 -28.368 -21.762 9.929 1.00 0.03 H HETATM 2729 H67 DLY A 133 -29.064 -20.439 8.933 1.00 0.03 H HETATM 2730 H65 DLY A 133 -26.973 -19.093 9.544 1.00 0.08 H HETATM 2731 H64 DLY A 133 -26.287 -21.389 11.079 1.00 0.19 H HETATM 2732 H55 DLY A 133 -23.182 -21.747 10.932 1.00 0.08 H HETATM 2733 H54 DLY A 133 -25.084 -20.916 13.093 1.00 0.19 H HETATM 2734 CB DLY A 133 -24.101 -23.670 15.099 1.00 -0.00 C HETATM 2735 CG DLY A 133 -24.516 -23.515 16.567 1.00 0.00 C HETATM 2736 CD DLY A 133 -24.052 -22.203 17.172 1.00 0.04 C HETATM 2737 OE1 DLY A 133 -24.919 -21.340 17.425 1.00 -0.57 O HETATM 2738 OE2 DLY A 133 -22.822 -22.040 17.393 1.00 -0.57 O HETATM 2739 H52 DLY A 133 -24.080 -24.343 17.145 1.00 0.04 H HETATM 2740 H53 DLY A 133 -25.613 -23.562 16.629 1.00 0.04 H HETATM 2741 H50 DLY A 133 -23.228 -23.025 14.920 1.00 0.03 H HETATM 2742 H51 DLY A 133 -23.821 -24.721 14.932 1.00 0.03 H HETATM 2743 H49 DLY A 133 -25.774 -24.200 13.845 1.00 0.08 H HETATM 2744 H48 DLY A 133 -25.904 -21.879 15.521 1.00 0.19 H HETATM 2745 H41 DLY A 133 -28.842 -20.489 13.971 1.00 0.08 H HETATM 2746 CB DLY A 133 -24.220 -18.654 15.532 1.00 0.02 C HETATM 2747 CG DLY A 133 -23.258 -17.825 16.346 1.00 -0.05 C HETATM 2748 CD1 DLY A 133 -22.683 -18.328 17.521 1.00 -0.07 C HETATM 2749 CE1 DLY A 133 -21.787 -17.555 18.273 1.00 -0.04 C HETATM 2750 CZ DLY A 133 -21.475 -16.266 17.840 1.00 0.08 C HETATM 2751 CE2 DLY A 133 -22.040 -15.764 16.666 1.00 -0.04 C HETATM 2752 CD2 DLY A 133 -22.920 -16.540 15.945 1.00 -0.07 C HETATM 2753 H37 DLY A 133 -23.360 -16.137 15.040 1.00 0.05 H HETATM 2754 H39 DLY A 133 -21.787 -14.767 16.323 1.00 0.05 H HETATM 2755 OH DLY A 133 -20.605 -15.464 18.547 1.00 -0.34 O HETATM 2756 H40 DLY A 133 -20.300 -15.930 19.317 1.00 0.25 H HETATM 2757 H38 DLY A 133 -21.343 -17.953 19.178 1.00 0.05 H HETATM 2758 H36 DLY A 133 -22.934 -19.329 17.853 1.00 0.05 H HETATM 2759 H34 DLY A 133 -23.873 -18.651 14.488 1.00 0.05 H HETATM 2760 H35 DLY A 133 -24.198 -19.682 15.923 1.00 0.05 H HETATM 2761 H33 DLY A 133 -26.051 -18.169 16.589 1.00 0.08 H HETATM 2762 H32 DLY A 133 -25.402 -16.591 14.139 1.00 0.19 H HETATM 2763 CB DLY A 133 -25.415 -13.589 16.098 1.00 0.04 C HETATM 2764 CG DLY A 133 -25.338 -12.151 15.685 1.00 0.04 C HETATM 2765 OD1 DLY A 133 -24.285 -11.736 15.161 1.00 -0.57 O HETATM 2766 OD2 DLY A 133 -26.328 -11.422 15.870 1.00 -0.57 O HETATM 2767 H30 DLY A 133 -24.400 -14.012 16.092 1.00 0.05 H HETATM 2768 H31 DLY A 133 -25.829 -13.642 17.116 1.00 0.05 H HETATM 2769 H29 DLY A 133 -27.310 -13.985 15.166 1.00 0.08 H HETATM 2770 H28 DLY A 133 -24.841 -14.124 13.643 1.00 0.19 H HETATM 2771 H25 DLY A 133 -26.285 -15.215 10.712 1.00 0.08 H HETATM 2772 H24 DLY A 133 -23.858 -13.804 11.299 1.00 0.19 H HETATM 2773 H20 DLY A 133 -22.014 -16.607 12.334 1.00 0.08 H HETATM 2774 H19 DLY A 133 -21.067 -14.163 11.382 1.00 0.19 H HETATM 2775 H17 DLY A 133 -20.019 -13.019 13.308 1.00 0.08 H HETATM 2776 H18 DLY A 133 -21.344 -11.927 12.781 1.00 0.08 H HETATM 2777 H16 DLY A 133 -22.146 -12.177 15.222 1.00 0.19 H HETATM 2778 CB DLY A 133 -22.017 -11.201 17.176 1.00 0.01 C HETATM 2779 CG DLY A 133 -22.478 -9.771 16.895 1.00 -0.04 C HETATM 2780 CD DLY A 133 -23.896 -9.552 17.410 1.00 -0.01 C HETATM 2781 CE DLY A 133 -24.263 -8.070 17.473 1.00 -0.04 C HETATM 2782 NZ DLY A 133 -25.726 -7.843 17.706 1.00 0.22 N HETATM 2783 H13 DLY A 133 -25.911 -6.853 17.739 1.00 0.20 H HETATM 2784 H14 DLY A 133 -25.996 -8.264 18.581 1.00 0.20 H HETATM 2785 H15 DLY A 133 -26.254 -8.259 16.955 1.00 0.20 H HETATM 2786 H11 DLY A 133 -23.982 -7.598 16.520 1.00 0.08 H HETATM 2787 H12 DLY A 133 -23.700 -7.603 18.294 1.00 0.08 H HETATM 2788 H9 DLY A 133 -23.977 -9.980 18.420 1.00 0.03 H HETATM 2789 H10 DLY A 133 -24.600 -10.063 16.738 1.00 0.03 H HETATM 2790 H7 DLY A 133 -22.456 -9.591 15.810 1.00 0.03 H HETATM 2791 H8 DLY A 133 -21.798 -9.067 17.398 1.00 0.03 H HETATM 2792 H5 DLY A 133 -22.298 -11.455 18.209 1.00 0.03 H HETATM 2793 H6 DLY A 133 -22.538 -11.873 16.478 1.00 0.03 H HETATM 2794 H4 DLY A 133 -20.001 -10.466 17.177 1.00 0.11 H HETATM 2795 H1 DLY A 133 -20.255 -12.050 18.964 1.00 0.20 H HETATM 2796 H2 DLY A 133 -19.035 -12.503 17.957 1.00 0.20 H HETATM 2797 H3 DLY A 133 -20.482 -13.285 17.900 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 2569 2570 2795 2796 2797 CONECT 2570 2569 2571 2778 2794 CONECT 2571 2570 2572 2573 CONECT 2572 2571 CONECT 2573 2571 2574 2777 CONECT 2574 2573 2575 2775 2776 CONECT 2575 2574 2576 2577 CONECT 2576 2575 CONECT 2577 2575 2578 2774 CONECT 2578 2577 2579 2583 2773 CONECT 2579 2578 2580 2581 2582 CONECT 2580 2579 CONECT 2581 2579 CONECT 2582 2579 CONECT 2583 2578 2584 2585 CONECT 2584 2583 CONECT 2585 2583 2586 2772 CONECT 2586 2585 2587 2708 2771 CONECT 2587 2586 2588 2589 CONECT 2588 2587 CONECT 2589 2587 2590 2770 CONECT 2590 2589 2591 2763 2769 CONECT 2591 2590 2592 2593 CONECT 2592 2591 CONECT 2593 2591 2594 2762 CONECT 2594 2593 2595 2746 2761 CONECT 2595 2594 2596 2597 CONECT 2596 2595 CONECT 2597 2595 2598 2601 CONECT 2598 2597 2599 2608 2745 CONECT 2599 2598 2600 2606 2607 CONECT 2600 2599 2601 2604 2605 CONECT 2601 2597 2600 2602 2603 CONECT 2602 2601 CONECT 2603 2601 CONECT 2604 2600 CONECT 2605 2600 CONECT 2606 2599 CONECT 2607 2599 CONECT 2608 2598 2609 2610 CONECT 2609 2608 CONECT 2610 2608 2611 2744 CONECT 2611 2610 2612 2734 2743 CONECT 2612 2611 2613 2614 CONECT 2613 2612 CONECT 2614 2612 2615 2733 CONECT 2615 2614 2616 2634 2732 CONECT 2616 2615 2617 2632 2633 CONECT 2617 2616 2618 2625 CONECT 2618 2617 2619 2631 CONECT 2619 2618 2620 2630 CONECT 2620 2619 2621 2625 CONECT 2621 2620 2622 2629 CONECT 2622 2621 2623 2628 CONECT 2623 2622 2624 2627 CONECT 2624 2623 2625 2626 CONECT 2625 2617 2620 2624 CONECT 2626 2624 CONECT 2627 2623 CONECT 2628 2622 CONECT 2629 2621 CONECT 2630 2619 CONECT 2631 2618 CONECT 2632 2616 CONECT 2633 2616 CONECT 2634 2615 2635 2636 CONECT 2635 2634 CONECT 2636 2634 2637 2731 CONECT 2637 2636 2638 2719 2730 CONECT 2638 2637 2639 2640 CONECT 2639 2638 CONECT 2640 2638 2641 2718 CONECT 2641 2640 2642 2660 2717 CONECT 2642 2641 2643 2658 2659 CONECT 2643 2642 2644 2651 CONECT 2644 2643 2645 2657 CONECT 2645 2644 2646 2656 CONECT 2646 2645 2647 2651 CONECT 2647 2646 2648 2655 CONECT 2648 2647 2649 2654 CONECT 2649 2648 2650 2653 CONECT 2650 2649 2651 2652 CONECT 2651 2643 2646 2650 CONECT 2652 2650 CONECT 2653 2649 CONECT 2654 2648 CONECT 2655 2647 CONECT 2656 2645 CONECT 2657 2644 CONECT 2658 2642 CONECT 2659 2642 CONECT 2660 2641 2661 2662 CONECT 2661 2660 CONECT 2662 2660 2663 2716 CONECT 2663 2662 2664 2677 2715 CONECT 2664 2663 2665 2675 2676 CONECT 2665 2664 2666 2670 2674 CONECT 2666 2665 2667 2668 2669 CONECT 2667 2666 CONECT 2668 2666 CONECT 2669 2666 CONECT 2670 2665 2671 2672 2673 CONECT 2671 2670 CONECT 2672 2670 CONECT 2673 2670 CONECT 2674 2665 CONECT 2675 2664 CONECT 2676 2664 CONECT 2677 2663 2678 2679 CONECT 2678 2677 CONECT 2679 2677 2680 2714 CONECT 2680 2679 2681 2705 2713 CONECT 2681 2680 2682 2683 CONECT 2682 2681 CONECT 2683 2681 2684 2704 CONECT 2684 2683 2685 2689 2703 CONECT 2685 2684 2686 2687 2688 CONECT 2686 2685 CONECT 2687 2685 CONECT 2688 2685 CONECT 2689 2684 2690 2691 CONECT 2690 2689 CONECT 2691 2689 2692 2702 CONECT 2692 2691 2693 2697 2701 CONECT 2693 2692 2694 2695 2696 CONECT 2694 2693 CONECT 2695 2693 CONECT 2696 2693 CONECT 2697 2692 2698 2699 CONECT 2698 2697 CONECT 2699 2697 2700 CONECT 2700 2699 CONECT 2701 2692 CONECT 2702 2691 CONECT 2703 2684 CONECT 2704 2683 CONECT 2705 2680 2706 2711 2712 CONECT 2706 2705 2707 CONECT 2707 2706 2708 CONECT 2708 2586 2707 2709 2710 CONECT 2709 2708 CONECT 2710 2708 CONECT 2711 2705 CONECT 2712 2705 CONECT 2713 2680 CONECT 2714 2679 CONECT 2715 2663 CONECT 2716 2662 CONECT 2717 2641 CONECT 2718 2640 CONECT 2719 2637 2720 2728 2729 CONECT 2720 2719 2721 2726 2727 CONECT 2721 2720 2722 2723 CONECT 2722 2721 CONECT 2723 2721 2724 2725 CONECT 2724 2723 CONECT 2725 2723 CONECT 2726 2720 CONECT 2727 2720 CONECT 2728 2719 CONECT 2729 2719 CONECT 2730 2637 CONECT 2731 2636 CONECT 2732 2615 CONECT 2733 2614 CONECT 2734 2611 2735 2741 2742 CONECT 2735 2734 2736 2739 2740 CONECT 2736 2735 2737 2738 CONECT 2737 2736 CONECT 2738 2736 CONECT 2739 2735 CONECT 2740 2735 CONECT 2741 2734 CONECT 2742 2734 CONECT 2743 2611 CONECT 2744 2610 CONECT 2745 2598 CONECT 2746 2594 2747 2759 2760 CONECT 2747 2746 2748 2752 CONECT 2748 2747 2749 2758 CONECT 2749 2748 2750 2757 CONECT 2750 2749 2751 2755 CONECT 2751 2750 2752 2754 CONECT 2752 2747 2751 2753 CONECT 2753 2752 CONECT 2754 2751 CONECT 2755 2750 2756 CONECT 2756 2755 CONECT 2757 2749 CONECT 2758 2748 CONECT 2759 2746 CONECT 2760 2746 CONECT 2761 2594 CONECT 2762 2593 CONECT 2763 2590 2764 2767 2768 CONECT 2764 2763 2765 2766 CONECT 2765 2764 CONECT 2766 2764 CONECT 2767 2763 CONECT 2768 2763 CONECT 2769 2590 CONECT 2770 2589 CONECT 2771 2586 CONECT 2772 2585 CONECT 2773 2578 CONECT 2774 2577 CONECT 2775 2574 CONECT 2776 2574 CONECT 2777 2573 CONECT 2778 2570 2779 2792 2793 CONECT 2779 2778 2780 2790 2791 CONECT 2780 2779 2781 2788 2789 CONECT 2781 2780 2782 2786 2787 CONECT 2782 2781 2783 2784 2785 CONECT 2783 2782 CONECT 2784 2782 CONECT 2785 2782 CONECT 2786 2781 CONECT 2787 2781 CONECT 2788 2780 CONECT 2789 2780 CONECT 2790 2779 CONECT 2791 2779 CONECT 2792 2778 CONECT 2793 2778 CONECT 2794 2570 CONECT 2795 2569 CONECT 2796 2569 CONECT 2797 2569 MASTER 0 0 0 0 0 0 0 0 2794 3 247 12 END
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Entry Information
PDB ID
2r5b
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
gp41 N-peptide
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=2.5nM
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
9
H
1
0
9
N
1
9
O
2
2
S
2
Molecular Weight
1740.950
Exact Mass
1739.740
No. of atoms
231
No. of bonds
237
Polar Surface Area
711.29
LOGP Value
-3.10 (
Computed with XLOGP3
)
0.74 (
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: 7
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)CC(=O)O)Cc1ccc(cc1)O)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/C79H107N19O22S2/c1-39(2)29-54-71(111)97-59(75(115)87-41(4)66(106)88-42(5)79(119)120)37-121-122-38-60(96-67(107)40(3)86-63(101)36-85-68(108)49(81)15-10-11-27-80)76(116)94-57(33-65(104)105)74(114)95-58(30-43-19-21-46(99)22-20-43)78(118)98-28-12-18-61(98)77(117)90-53(24-26-64(102)103)70(110)92-55(31-44-34-83-50-16-8-6-13-47(44)50)72(112)89-52(23-25-62(82)100)69(109)93-56(73(113)91-54)32-45-35-84-51-17-9-7-14-48(45)51/h6-9,13-14,16-17,19-22,34-35,39-42,49,52-61,83-84,99H,10-12,15,18,23-33,36-38,80-81H2,1-5H3,(H2,82,100)(H,85,108)(H,86,101)(H,87,115)(H,88,106)(H,89,112)(H,90,117)(H,91,113)(H,92,110)(H,93,109)(H,94,116)(H,95,114)(H,96,107)(H,97,111)(H,102,103)(H,104,105)(H,119,120)/p+2/t40-,41-,42-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m1/s1
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UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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