HEADER TRANSCRIPTION/DNA 05-MAY-98 XXXX TITLE STRUCTURES OF SAP-1 BOUND TO DNA SEQUENCES FROM THE E74 AND TITLE 2 C-FOS PROMOTERS PROVIDE INSIGHTS INTO HOW ETS PROTEINS TITLE 3 DISCRIMINATE BETWEEN RELATED DNA TARGETS COMPND SAP-1 ETS DOMAIN/DNA COMPLEX KEYWDS ETS DOMAIN, DNA-BINDING DOMAIN, WINGED HELIX-TURN-HELIX, KEYWDS 2 CRYSTAL STRUCTURE, DNA-BINDING SPECIFICITY EXPDTA X-RAY DIFFRACTION AUTHOR Y.MO, B.VAESSEN, K.JOHNSTON, R.MARMORSTEIN JRNL AUTH Y.MO, B.VAESSEN, K.JOHNSTON, R.MARMORSTEIN JRNL TITL STRUCTURES OF SAP-1 BOUND TO DNA TARGETS FROM THE JRNL TITL 2 E74 AND C-FOS PROMOTERS: INSIGHTS INTO DNA JRNL TITL 3 SEQUENCE DISCRIMINATION BY ETS PROTEINS. JRNL REF MOL.CELL V. 2 201 1998 JRNL REFN ASTM MOCEFL US ISSN 1097-2765 REMARK 1 SEQRES 1 A 10 DT DA DC DC DG DG DA DA DG DT SEQRES 1 B 10 DA DA DC DT DT DC DC DG DG DT SEQRES 1 C 93 MET ASP SER ALA ILE THR LEU TRP GLN PHE LEU LEU GLN SEQRES 2 C 93 LEU LEU GLN LYS PRO GLN ASN LYS HIS MET ILE CYS TRP SEQRES 3 C 93 THR SER ASN ASP GLY GLN PHE LYS LEU LEU GLN ALA GLU SEQRES 4 C 93 GLU VAL ALA ARG LEU TRP GLY ILE ARG LYS ASN LYS PRO SEQRES 5 C 93 ASN MET ASN TYR ASP LYS LEU SER ARG ALA LEU ARG TYR SEQRES 6 C 93 TYR TYR VAL LYS ASN ILE ILE LYS LYS VAL ASN GLY GLN SEQRES 7 C 93 LYS PHE VAL TYR LYS PHE VAL SER TYR PRO GLU ILE LEU SEQRES 8 C 93 ASN MET HETNAM ZN ZINC ION FORMUL 4 ZN 2(ZN 2+) FORMUL 6 HOH *160(H2 O) HELIX 1 H1 THR C 6 LEU C 15 1 10 HELIX 2 H2 GLN C 37 ASN C 50 1 14 HELIX 3 H3 ASN C 55 ASN C 70 1 16 HELIX 4 3-1 GLN C 16 LYS C 21 5 6 HELIX 5 3-2 PRO C 88 ASN C 92 5 5 SHEET 1 S1 4 CYS C 25 TRP C 26 0 SHEET 2 S1 4 GLN C 32 LYS C 34 -1 SHEET 3 S1 4 VAL C 81 PHE C 84 -1 SHEET 4 S1 4 ILE C 72 LYS C 74 -1 LINK ZN ZN 1 OE2 GLU C 89 LINK ZN ZN 1 O HOH 41 LINK ZN ZN 2 N7 DG B 18 LINK ZN ZN 2 O HOH 54 LINK ZN ZN 2 O HOH 135 LINK ZN ZN 2 O HOH 136 LINK ZN ZN 2 O HOH 137 CISPEP 1 TYR C 87 PRO C 88 1 0.12 CRYST1 31.590 55.670 44.230 90.00 107.16 90.00 P 1 21 1 2 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.031656 0.000000 0.009775 0.00000 SCALE2 0.000000 0.017963 0.000000 0.00000 SCALE3 0.000000 0.000000 0.023662 0.00000 ATOM 1 N1 DT A 1 19.304 6.626 16.668 1.00 14.53 N ATOM 2 C2 DT A 1 19.705 5.412 17.182 1.00 18.55 C ATOM 3 O2 DT A 1 19.791 4.385 16.537 1.00 13.78 O ATOM 4 N3 DT A 1 20.012 5.437 18.502 1.00 16.23 N ATOM 5 C4 DT A 1 19.951 6.509 19.368 1.00 18.17 C ATOM 6 O4 DT A 1 20.205 6.342 20.562 1.00 18.13 O ATOM 7 C5 DT A 1 19.567 7.762 18.762 1.00 16.52 C ATOM 8 C6 DT A 1 19.273 7.759 17.458 1.00 17.00 C ATOM 9 O5' DT A 1 18.304 10.313 14.820 1.00 17.18 O ATOM 10 C5' DT A 1 19.094 9.803 13.737 1.00 12.46 C ATOM 11 C4' DT A 1 18.917 8.315 13.559 1.00 18.60 C ATOM 12 O4' DT A 1 19.697 7.616 14.562 1.00 20.04 O ATOM 13 C3' DT A 1 17.470 7.855 13.741 1.00 16.09 C ATOM 14 O3' DT A 1 17.095 6.863 12.788 1.00 15.10 O ATOM 15 C2' DT A 1 17.458 7.238 15.125 1.00 14.72 C ATOM 16 C1' DT A 1 18.865 6.691 15.255 1.00 15.05 C ATOM 17 C7 DT A 1 19.513 8.999 19.602 1.00 16.20 C ATOM 18 P DA A 2 15.599 6.249 12.825 1.00 16.79 P ATOM 19 N9 DA A 2 16.254 2.824 16.570 1.00 14.09 N ATOM 20 C8 DA A 2 16.103 4.182 16.715 1.00 16.98 C ATOM 21 N7 DA A 2 16.322 4.612 17.935 1.00 18.93 N ATOM 22 C5 DA A 2 16.643 3.462 18.643 1.00 15.08 C ATOM 23 C6 DA A 2 16.964 3.235 20.000 1.00 18.66 C ATOM 24 N6 DA A 2 17.022 4.194 20.924 1.00 14.45 N ATOM 25 N1 DA A 2 17.226 1.969 20.377 1.00 20.40 N ATOM 26 C2 DA A 2 17.176 1.003 19.457 1.00 16.64 C ATOM 27 N3 DA A 2 16.887 1.084 18.163 1.00 13.95 N ATOM 28 C4 DA A 2 16.619 2.355 17.813 1.00 15.74 C ATOM 29 OP1 DA A 2 15.051 6.238 11.437 1.00 17.73 O ATOM 30 OP2 DA A 2 14.829 6.923 13.914 1.00 17.63 O ATOM 31 O5' DA A 2 15.831 4.747 13.296 1.00 19.10 O ATOM 32 C5' DA A 2 16.645 3.854 12.539 1.00 17.15 C ATOM 33 C4' DA A 2 16.501 2.449 13.077 1.00 13.00 C ATOM 34 O4' DA A 2 17.058 2.395 14.415 1.00 17.27 O ATOM 35 C3' DA A 2 15.052 1.969 13.198 1.00 16.19 C ATOM 36 O3' DA A 2 14.977 0.578 12.848 1.00 13.90 O ATOM 37 C2' DA A 2 14.719 2.214 14.663 1.00 13.74 C ATOM 38 C1' DA A 2 16.062 2.014 15.360 1.00 14.39 C ATOM 39 P DC A 3 13.558 -0.169 12.821 1.00 14.83 P ATOM 40 N1 DC A 3 13.361 0.526 18.749 1.00 14.95 N ATOM 41 C2 DC A 3 13.811 0.679 20.081 1.00 14.31 C ATOM 42 O2 DC A 3 14.117 -0.328 20.740 1.00 13.83 O ATOM 43 N3 DC A 3 13.895 1.920 20.611 1.00 17.87 N ATOM 44 C4 DC A 3 13.551 2.986 19.881 1.00 15.67 C ATOM 45 N4 DC A 3 13.648 4.189 20.454 1.00 17.05 N ATOM 46 C5 DC A 3 13.090 2.863 18.530 1.00 17.58 C ATOM 47 C6 DC A 3 13.015 1.628 18.010 1.00 15.35 C ATOM 48 OP1 DC A 3 13.640 -1.321 11.905 1.00 19.09 O ATOM 49 OP2 DC A 3 12.525 0.871 12.617 1.00 15.53 O ATOM 50 O5' DC A 3 13.380 -0.737 14.299 1.00 14.21 O ATOM 51 C5' DC A 3 14.400 -1.524 14.907 1.00 16.00 C ATOM 52 C4' DC A 3 13.967 -2.001 16.275 1.00 15.51 C ATOM 53 O4' DC A 3 14.336 -1.015 17.272 1.00 18.24 O ATOM 54 C3' DC A 3 12.472 -2.279 16.468 1.00 17.28 C ATOM 55 O3' DC A 3 12.313 -3.566 17.075 1.00 15.26 O ATOM 56 C2' DC A 3 12.009 -1.161 17.390 1.00 17.05 C ATOM 57 C1' DC A 3 13.266 -0.839 18.181 1.00 13.47 C ATOM 58 P DC A 4 10.841 -4.169 17.337 1.00 13.52 P ATOM 59 N1 DC A 4 10.556 -0.702 22.049 1.00 17.22 N ATOM 60 C2 DC A 4 10.557 0.249 23.091 1.00 16.52 C ATOM 61 O2 DC A 4 10.547 -0.140 24.273 1.00 17.28 O ATOM 62 N3 DC A 4 10.560 1.564 22.778 1.00 15.50 N ATOM 63 C4 DC A 4 10.559 1.949 21.496 1.00 13.37 C ATOM 64 N4 DC A 4 10.505 3.253 21.236 1.00 17.30 N ATOM 65 C5 DC A 4 10.602 1.011 20.425 1.00 13.99 C ATOM 66 C6 DC A 4 10.612 -0.291 20.743 1.00 16.58 C ATOM 67 OP1 DC A 4 10.889 -5.642 17.128 1.00 11.14 O ATOM 68 OP2 DC A 4 9.841 -3.354 16.599 1.00 14.42 O ATOM 69 O5' DC A 4 10.610 -3.896 18.887 1.00 18.88 O ATOM 70 C5' DC A 4 11.624 -4.211 19.840 1.00 17.04 C ATOM 71 C4' DC A 4 11.077 -4.102 21.242 1.00 13.77 C ATOM 72 O4' DC A 4 11.519 -2.836 21.796 1.00 16.13 O ATOM 73 C3' DC A 4 9.548 -4.087 21.270 1.00 14.89 C ATOM 74 O3' DC A 4 8.983 -5.058 22.133 1.00 21.15 O ATOM 75 C2' DC A 4 9.174 -2.695 21.730 1.00 14.30 C ATOM 76 C1' DC A 4 10.429 -2.136 22.378 1.00 15.84 C ATOM 77 P DG A 5 7.455 -5.511 21.910 1.00 16.98 P ATOM 78 N9 DG A 5 6.465 -1.239 24.213 1.00 14.70 N ATOM 79 C8 DG A 5 6.402 -1.381 22.845 1.00 15.36 C ATOM 80 N7 DG A 5 6.676 -0.276 22.204 1.00 15.80 N ATOM 81 C5 DG A 5 6.938 0.650 23.208 1.00 16.23 C ATOM 82 C6 DG A 5 7.280 2.026 23.126 1.00 15.00 C ATOM 83 O6 DG A 5 7.421 2.721 22.118 1.00 19.50 O ATOM 84 N1 DG A 5 7.454 2.589 24.393 1.00 17.96 N ATOM 85 C2 DG A 5 7.313 1.908 25.583 1.00 19.25 C ATOM 86 N2 DG A 5 7.525 2.605 26.721 1.00 16.42 N ATOM 87 N3 DG A 5 6.988 0.633 25.665 1.00 15.96 N ATOM 88 C4 DG A 5 6.816 0.069 24.451 1.00 14.08 C ATOM 89 OP1 DG A 5 7.431 -6.984 21.812 1.00 14.91 O ATOM 90 OP2 DG A 5 6.832 -4.697 20.834 1.00 16.97 O ATOM 91 O5' DG A 5 6.759 -5.086 23.279 1.00 15.22 O ATOM 92 C5' DG A 5 7.337 -5.436 24.539 1.00 16.43 C ATOM 93 C4' DG A 5 6.876 -4.472 25.610 1.00 19.88 C ATOM 94 O4' DG A 5 7.321 -3.132 25.288 1.00 15.74 O ATOM 95 C3' DG A 5 5.362 -4.373 25.791 1.00 19.76 C ATOM 96 O3' DG A 5 5.084 -4.149 27.177 1.00 16.42 O ATOM 97 C2' DG A 5 4.998 -3.139 24.982 1.00 15.59 C ATOM 98 C1' DG A 5 6.203 -2.256 25.230 1.00 16.34 C ATOM 99 P DG A 6 3.574 -4.238 27.728 1.00 15.18 P ATOM 100 N9 DG A 6 3.768 0.876 27.870 1.00 13.81 N ATOM 101 C8 DG A 6 3.526 0.057 26.790 1.00 14.47 C ATOM 102 N7 DG A 6 3.640 0.671 25.646 1.00 20.23 N ATOM 103 C5 DG A 6 3.957 1.979 25.985 1.00 12.59 C ATOM 104 C6 DG A 6 4.211 3.105 25.157 1.00 15.44 C ATOM 105 O6 DG A 6 4.217 3.166 23.918 1.00 14.65 O ATOM 106 N1 DG A 6 4.481 4.244 25.909 1.00 15.46 N ATOM 107 C2 DG A 6 4.495 4.294 27.286 1.00 17.09 C ATOM 108 N2 DG A 6 4.734 5.494 27.835 1.00 18.97 N ATOM 109 N3 DG A 6 4.280 3.244 28.067 1.00 15.05 N ATOM 110 C4 DG A 6 4.019 2.130 27.355 1.00 17.38 C ATOM 111 OP1 DG A 6 3.439 -5.516 28.484 1.00 15.91 O ATOM 112 OP2 DG A 6 2.597 -3.914 26.651 1.00 17.41 O ATOM 113 O5' DG A 6 3.529 -3.055 28.788 1.00 14.00 O ATOM 114 C5' DG A 6 4.595 -2.864 29.713 1.00 17.89 C ATOM 115 C4' DG A 6 4.483 -1.505 30.357 1.00 14.78 C ATOM 116 O4' DG A 6 4.861 -0.450 29.443 1.00 16.57 O ATOM 117 C3' DG A 6 3.078 -1.162 30.839 1.00 17.24 C ATOM 118 O3' DG A 6 3.181 -0.493 32.087 1.00 16.38 O ATOM 119 C2' DG A 6 2.543 -0.236 29.760 1.00 15.42 C ATOM 120 C1' DG A 6 3.794 0.483 29.279 1.00 16.24 C ATOM 121 P DA A 7 1.858 -0.155 32.916 1.00 16.48 P ATOM 122 N9 DA A 7 0.561 3.700 28.723 1.00 17.33 N ATOM 123 C8 DA A 7 0.339 2.431 28.248 1.00 16.28 C ATOM 124 N7 DA A 7 0.472 2.322 26.946 1.00 15.88 N ATOM 125 C5 DA A 7 0.796 3.608 26.534 1.00 16.34 C ATOM 126 C6 DA A 7 1.071 4.161 25.263 1.00 19.38 C ATOM 127 N6 DA A 7 1.055 3.462 24.126 1.00 14.51 N ATOM 128 N1 DA A 7 1.367 5.481 25.204 1.00 16.03 N ATOM 129 C2 DA A 7 1.386 6.182 26.342 1.00 17.05 C ATOM 130 N3 DA A 7 1.145 5.776 27.587 1.00 15.82 N ATOM 131 C4 DA A 7 0.852 4.467 27.616 1.00 14.88 C ATOM 132 OP1 DA A 7 2.280 -0.017 34.333 1.00 17.89 O ATOM 133 OP2 DA A 7 0.793 -1.130 32.549 1.00 14.37 O ATOM 134 O5' DA A 7 1.457 1.274 32.352 1.00 16.83 O ATOM 135 C5' DA A 7 2.256 2.408 32.638 1.00 16.03 C ATOM 136 C4' DA A 7 1.571 3.659 32.146 1.00 17.62 C ATOM 137 O4' DA A 7 1.761 3.835 30.718 1.00 18.57 O ATOM 138 C3' DA A 7 0.062 3.741 32.403 1.00 17.77 C ATOM 139 O3' DA A 7 -0.223 5.027 32.953 1.00 18.36 O ATOM 140 C2' DA A 7 -0.543 3.574 31.013 1.00 13.69 C ATOM 141 C1' DA A 7 0.526 4.180 30.110 1.00 17.20 C ATOM 142 P DA A 8 -1.702 5.389 33.460 1.00 18.53 P ATOM 143 N9 DA A 8 -2.646 6.287 28.027 1.00 15.34 N ATOM 144 C8 DA A 8 -2.861 4.961 28.316 1.00 16.04 C ATOM 145 N7 DA A 8 -2.739 4.168 27.273 1.00 16.72 N ATOM 146 C5 DA A 8 -2.417 5.031 26.231 1.00 14.75 C ATOM 147 C6 DA A 8 -2.153 4.819 24.852 1.00 16.65 C ATOM 148 N6 DA A 8 -2.167 3.618 24.263 1.00 15.60 N ATOM 149 N1 DA A 8 -1.865 5.902 24.097 1.00 19.88 N ATOM 150 C2 DA A 8 -1.838 7.105 24.684 1.00 19.47 C ATOM 151 N3 DA A 8 -2.065 7.431 25.958 1.00 15.72 N ATOM 152 C4 DA A 8 -2.352 6.337 26.685 1.00 15.50 C ATOM 153 OP1 DA A 8 -1.561 6.127 34.742 1.00 16.72 O ATOM 154 OP2 DA A 8 -2.599 4.209 33.379 1.00 15.44 O ATOM 155 O5' DA A 8 -2.185 6.443 32.385 1.00 17.38 O ATOM 156 C5' DA A 8 -1.409 7.602 32.152 1.00 16.43 C ATOM 157 C4' DA A 8 -1.868 8.288 30.891 1.00 11.57 C ATOM 158 O4' DA A 8 -1.571 7.465 29.737 1.00 15.57 O ATOM 159 C3' DA A 8 -3.366 8.586 30.831 1.00 16.80 C ATOM 160 O3' DA A 8 -3.512 9.915 30.341 1.00 14.29 O ATOM 161 C2' DA A 8 -3.890 7.566 29.830 1.00 17.01 C ATOM 162 C1' DA A 8 -2.708 7.462 28.894 1.00 19.16 C ATOM 163 P DG A 9 -4.956 10.607 30.276 1.00 14.96 P ATOM 164 N9 DG A 9 -5.318 8.951 25.254 1.00 14.69 N ATOM 165 C8 DG A 9 -5.424 8.148 26.366 1.00 17.56 C ATOM 166 N7 DG A 9 -5.433 6.876 26.080 1.00 15.14 N ATOM 167 C5 DG A 9 -5.321 6.831 24.700 1.00 20.89 C ATOM 168 C6 DG A 9 -5.280 5.728 23.832 1.00 16.26 C ATOM 169 O6 DG A 9 -5.335 4.529 24.121 1.00 16.06 O ATOM 170 N1 DG A 9 -5.165 6.122 22.498 1.00 17.21 N ATOM 171 C2 DG A 9 -5.094 7.428 22.065 1.00 21.36 C ATOM 172 N2 DG A 9 -4.988 7.619 20.737 1.00 14.52 N ATOM 173 N3 DG A 9 -5.127 8.474 22.875 1.00 12.99 N ATOM 174 C4 DG A 9 -5.244 8.103 24.171 1.00 17.78 C ATOM 175 OP1 DG A 9 -4.885 11.863 31.061 1.00 15.46 O ATOM 176 OP2 DG A 9 -6.006 9.603 30.576 1.00 13.77 O ATOM 177 O5' DG A 9 -5.074 10.984 28.734 1.00 13.48 O ATOM 178 C5' DG A 9 -4.136 11.869 28.135 1.00 16.11 C ATOM 179 C4' DG A 9 -4.463 12.060 26.674 1.00 18.04 C ATOM 180 O4' DG A 9 -4.156 10.846 25.948 1.00 14.73 O ATOM 181 C3' DG A 9 -5.927 12.387 26.371 1.00 16.72 C ATOM 182 O3' DG A 9 -5.991 13.394 25.360 1.00 19.93 O ATOM 183 C2' DG A 9 -6.494 11.069 25.879 1.00 14.67 C ATOM 184 C1' DG A 9 -5.294 10.411 25.218 1.00 20.49 C ATOM 185 P DT A 10 -7.414 13.887 24.796 1.00 16.26 P ATOM 186 N1 DT A 10 -8.545 9.162 21.790 1.00 15.83 N ATOM 187 C2 DT A 10 -8.395 7.963 21.106 1.00 12.93 C ATOM 188 O2 DT A 10 -8.268 7.885 19.896 1.00 17.43 O ATOM 189 N3 DT A 10 -8.402 6.847 21.907 1.00 17.21 N ATOM 190 C4 DT A 10 -8.544 6.798 23.283 1.00 13.38 C ATOM 191 O4 DT A 10 -8.535 5.711 23.865 1.00 14.60 O ATOM 192 C5 DT A 10 -8.698 8.081 23.932 1.00 14.93 C ATOM 193 C6 DT A 10 -8.689 9.183 23.166 1.00 18.59 C ATOM 194 OP1 DT A 10 -7.222 15.289 24.332 1.00 15.56 O ATOM 195 OP2 DT A 10 -8.502 13.575 25.763 1.00 13.41 O ATOM 196 O5' DT A 10 -7.631 12.962 23.511 1.00 13.59 O ATOM 197 C5' DT A 10 -6.781 13.101 22.371 1.00 15.79 C ATOM 198 C4' DT A 10 -7.422 12.481 21.152 1.00 16.32 C ATOM 199 O4' DT A 10 -7.287 11.044 21.195 1.00 16.97 O ATOM 200 C3' DT A 10 -8.913 12.766 20.979 1.00 18.99 C ATOM 201 O3' DT A 10 -9.196 12.942 19.592 1.00 15.40 O ATOM 202 C2' DT A 10 -9.566 11.479 21.453 1.00 16.43 C ATOM 203 C1' DT A 10 -8.549 10.431 21.020 1.00 17.74 C ATOM 204 C7 DT A 10 -8.860 8.129 25.419 1.00 22.05 C TER 205 DT A 10 ATOM 206 N9 DA B 11 -10.895 -0.158 20.561 1.00 18.30 N ATOM 207 C8 DA B 11 -10.718 -0.787 21.775 1.00 12.44 C ATOM 208 N7 DA B 11 -10.705 0.020 22.795 1.00 18.24 N ATOM 209 C5 DA B 11 -10.869 1.266 22.226 1.00 17.90 C ATOM 210 C6 DA B 11 -10.952 2.518 22.793 1.00 15.10 C ATOM 211 N6 DA B 11 -10.919 2.716 24.101 1.00 13.54 N ATOM 212 N1 DA B 11 -11.095 3.571 21.975 1.00 16.27 N ATOM 213 C2 DA B 11 -11.181 3.342 20.659 1.00 17.24 C ATOM 214 N3 DA B 11 -11.138 2.195 19.991 1.00 13.64 N ATOM 215 C4 DA B 11 -10.974 1.177 20.848 1.00 16.16 C ATOM 216 O5' DA B 11 -11.321 -3.165 21.625 1.00 17.00 O ATOM 217 C5' DA B 11 -12.292 -3.560 20.649 1.00 17.12 C ATOM 218 C4' DA B 11 -12.040 -2.969 19.280 1.00 17.24 C ATOM 219 O4' DA B 11 -12.252 -1.543 19.299 1.00 15.39 O ATOM 220 C3' DA B 11 -10.634 -3.172 18.721 1.00 15.49 C ATOM 221 O3' DA B 11 -10.731 -3.375 17.306 1.00 12.48 O ATOM 222 C2' DA B 11 -9.907 -1.883 19.079 1.00 12.36 C ATOM 223 C1' DA B 11 -11.009 -0.837 19.267 1.00 16.41 C ATOM 224 P DA B 12 -9.435 -3.789 16.458 1.00 14.94 P ATOM 225 N9 DA B 12 -7.470 1.240 18.129 1.00 17.57 N ATOM 226 C8 DA B 12 -7.200 0.351 19.140 1.00 18.61 C ATOM 227 N7 DA B 12 -7.262 0.878 20.336 1.00 18.80 N ATOM 228 C5 DA B 12 -7.602 2.203 20.099 1.00 14.59 C ATOM 229 C6 DA B 12 -7.821 3.294 20.961 1.00 15.40 C ATOM 230 N6 DA B 12 -7.723 3.223 22.298 1.00 17.47 N ATOM 231 N1 DA B 12 -8.148 4.479 20.399 1.00 17.32 N ATOM 232 C2 DA B 12 -8.248 4.549 19.063 1.00 18.52 C ATOM 233 N3 DA B 12 -8.068 3.597 18.155 1.00 17.23 N ATOM 234 C4 DA B 12 -7.741 2.436 18.744 1.00 17.52 C ATOM 235 OP1 DA B 12 -9.943 -4.405 15.206 1.00 17.61 O ATOM 236 OP2 DA B 12 -8.497 -4.550 17.314 1.00 18.50 O ATOM 237 O5' DA B 12 -8.783 -2.383 16.114 1.00 17.56 O ATOM 238 C5' DA B 12 -9.447 -1.484 15.234 1.00 18.44 C ATOM 239 C4' DA B 12 -8.656 -0.207 15.093 1.00 15.29 C ATOM 240 O4' DA B 12 -8.760 0.577 16.303 1.00 16.60 O ATOM 241 C3' DA B 12 -7.159 -0.372 14.821 1.00 18.11 C ATOM 242 O3' DA B 12 -6.742 0.602 13.862 1.00 17.19 O ATOM 243 C2' DA B 12 -6.528 -0.057 16.164 1.00 17.52 C ATOM 244 C1' DA B 12 -7.470 1.013 16.682 1.00 16.14 C ATOM 245 P DC B 13 -5.372 0.389 13.051 1.00 15.36 P ATOM 246 N1 DC B 13 -4.442 3.375 18.189 1.00 18.84 N ATOM 247 C2 DC B 13 -4.721 4.309 19.207 1.00 16.15 C ATOM 248 O2 DC B 13 -5.002 5.485 18.896 1.00 15.94 O ATOM 249 N3 DC B 13 -4.668 3.910 20.503 1.00 14.57 N ATOM 250 C4 DC B 13 -4.347 2.649 20.802 1.00 15.46 C ATOM 251 N4 DC B 13 -4.276 2.311 22.095 1.00 20.68 N ATOM 252 C5 DC B 13 -4.079 1.679 19.790 1.00 16.60 C ATOM 253 C6 DC B 13 -4.142 2.080 18.511 1.00 16.42 C ATOM 254 OP1 DC B 13 -5.270 1.456 12.022 1.00 16.49 O ATOM 255 OP2 DC B 13 -5.353 -1.032 12.637 1.00 20.64 O ATOM 256 O5' DC B 13 -4.245 0.619 14.163 1.00 17.63 O ATOM 257 C5' DC B 13 -3.370 1.748 14.127 1.00 14.81 C ATOM 258 C4' DC B 13 -4.079 2.979 14.641 1.00 15.32 C ATOM 259 O4' DC B 13 -4.685 2.724 15.936 1.00 16.87 O ATOM 260 C3' DC B 13 -3.171 4.195 14.829 1.00 20.65 C ATOM 261 O3' DC B 13 -3.707 5.358 14.202 1.00 18.31 O ATOM 262 C2' DC B 13 -3.130 4.401 16.333 1.00 17.92 C ATOM 263 C1' DC B 13 -4.457 3.836 16.783 1.00 15.53 C ATOM 264 P DT B 14 -2.714 6.556 13.795 1.00 13.95 P ATOM 265 N1 DT B 14 -1.594 7.183 19.306 1.00 12.73 N ATOM 266 C2 DT B 14 -1.690 7.217 20.684 1.00 15.39 C ATOM 267 O2 DT B 14 -1.860 8.243 21.323 1.00 12.97 O ATOM 268 N3 DT B 14 -1.558 5.999 21.294 1.00 13.71 N ATOM 269 C4 DT B 14 -1.306 4.785 20.705 1.00 10.92 C ATOM 270 O4 DT B 14 -1.257 3.777 21.393 1.00 13.48 O ATOM 271 C5 DT B 14 -1.134 4.822 19.274 1.00 15.98 C ATOM 272 C6 DT B 14 -1.289 6.004 18.650 1.00 18.32 C ATOM 273 OP1 DT B 14 -3.371 7.413 12.777 1.00 14.49 O ATOM 274 OP2 DT B 14 -1.372 5.981 13.524 1.00 17.49 O ATOM 275 O5' DT B 14 -2.575 7.406 15.129 1.00 14.50 O ATOM 276 C5' DT B 14 -3.595 8.305 15.516 1.00 17.11 C ATOM 277 C4' DT B 14 -3.146 9.115 16.706 1.00 16.38 C ATOM 278 O4' DT B 14 -3.105 8.274 17.880 1.00 16.84 O ATOM 279 C3' DT B 14 -1.766 9.768 16.586 1.00 16.84 C ATOM 280 O3' DT B 14 -1.906 11.127 17.016 1.00 16.31 O ATOM 281 C2' DT B 14 -0.890 8.928 17.513 1.00 18.19 C ATOM 282 C1' DT B 14 -1.880 8.450 18.567 1.00 15.73 C ATOM 283 C7 DT B 14 -0.793 3.554 18.555 1.00 20.28 C ATOM 284 P DT B 15 -0.725 12.189 16.780 1.00 16.07 P ATOM 285 N1 DT B 15 1.458 9.060 21.517 1.00 19.11 N ATOM 286 C2 DT B 15 1.364 8.409 22.734 1.00 18.53 C ATOM 287 O2 DT B 15 1.195 8.992 23.790 1.00 12.22 O ATOM 288 N3 DT B 15 1.481 7.044 22.671 1.00 17.23 N ATOM 289 C4 DT B 15 1.691 6.275 21.544 1.00 14.89 C ATOM 290 O4 DT B 15 1.760 5.055 21.649 1.00 19.20 O ATOM 291 C5 DT B 15 1.811 7.017 20.300 1.00 18.68 C ATOM 292 C6 DT B 15 1.686 8.354 20.347 1.00 16.90 C ATOM 293 OP1 DT B 15 -1.366 13.512 16.581 1.00 16.75 O ATOM 294 OP2 DT B 15 0.236 11.679 15.770 1.00 19.15 O ATOM 295 O5' DT B 15 -0.011 12.208 18.204 1.00 18.14 O ATOM 296 C5' DT B 15 -0.766 12.517 19.362 1.00 18.29 C ATOM 297 C4' DT B 15 0.029 12.250 20.618 1.00 13.66 C ATOM 298 O4' DT B 15 0.024 10.847 20.979 1.00 19.85 O ATOM 299 C3' DT B 15 1.490 12.705 20.639 1.00 14.92 C ATOM 300 O3' DT B 15 1.678 13.512 21.802 1.00 20.02 O ATOM 301 C2' DT B 15 2.270 11.401 20.765 1.00 14.89 C ATOM 302 C1' DT B 15 1.286 10.537 21.536 1.00 12.32 C ATOM 303 C7 DT B 15 2.069 6.265 19.031 1.00 14.27 C ATOM 304 P DC B 16 2.846 14.608 21.847 1.00 15.26 P ATOM 305 N1 DC B 16 4.916 8.977 24.134 1.00 15.07 N ATOM 306 C2 DC B 16 4.779 7.746 24.769 1.00 16.18 C ATOM 307 O2 DC B 16 4.671 7.719 26.008 1.00 16.40 O ATOM 308 N3 DC B 16 4.759 6.617 24.027 1.00 19.55 N ATOM 309 C4 DC B 16 4.848 6.688 22.696 1.00 11.23 C ATOM 310 N4 DC B 16 4.842 5.546 22.012 1.00 16.61 N ATOM 311 C5 DC B 16 4.949 7.933 22.013 1.00 14.07 C ATOM 312 C6 DC B 16 4.975 9.047 22.764 1.00 13.22 C ATOM 313 OP1 DC B 16 2.259 15.928 22.192 1.00 16.68 O ATOM 314 OP2 DC B 16 3.742 14.475 20.662 1.00 16.11 O ATOM 315 O5' DC B 16 3.694 14.128 23.085 1.00 16.44 O ATOM 316 C5' DC B 16 4.153 12.811 23.124 1.00 13.29 C ATOM 317 C4' DC B 16 4.366 12.395 24.552 1.00 13.05 C ATOM 318 O4' DC B 16 3.941 11.024 24.639 1.00 12.39 O ATOM 319 C3' DC B 16 5.835 12.424 24.942 1.00 20.54 C ATOM 320 O3' DC B 16 5.990 12.882 26.286 1.00 16.67 O ATOM 321 C2' DC B 16 6.288 10.992 24.741 1.00 15.69 C ATOM 322 C1' DC B 16 5.023 10.184 24.968 1.00 17.14 C ATOM 323 P DC B 17 7.458 13.230 26.845 1.00 16.29 P ATOM 324 N1 DC B 17 8.397 7.391 26.256 1.00 14.23 N ATOM 325 C2 DC B 17 8.285 6.003 26.089 1.00 14.70 C ATOM 326 O2 DC B 17 8.296 5.273 27.090 1.00 12.45 O ATOM 327 N3 DC B 17 8.164 5.492 24.838 1.00 16.91 N ATOM 328 C4 DC B 17 8.142 6.310 23.782 1.00 16.81 C ATOM 329 N4 DC B 17 8.051 5.758 22.567 1.00 15.64 N ATOM 330 C5 DC B 17 8.219 7.727 23.925 1.00 17.07 C ATOM 331 C6 DC B 17 8.343 8.220 25.168 1.00 14.83 C ATOM 332 OP1 DC B 17 7.322 14.261 27.894 1.00 14.75 O ATOM 333 OP2 DC B 17 8.393 13.457 25.712 1.00 15.14 O ATOM 334 O5' DC B 17 7.925 11.870 27.513 1.00 14.68 O ATOM 335 C5' DC B 17 6.986 10.967 28.080 1.00 14.96 C ATOM 336 C4' DC B 17 7.703 9.812 28.733 1.00 17.12 C ATOM 337 O4' DC B 17 7.405 8.604 27.996 1.00 16.18 O ATOM 338 C3' DC B 17 9.228 9.932 28.780 1.00 16.08 C ATOM 339 O3' DC B 17 9.708 9.565 30.071 1.00 15.69 O ATOM 340 C2' DC B 17 9.717 8.960 27.719 1.00 15.18 C ATOM 341 C1' DC B 17 8.596 7.933 27.619 1.00 15.84 C ATOM 342 P DG B 18 11.166 10.040 30.548 1.00 15.77 P ATOM 343 N9 DG B 18 12.444 5.808 27.686 1.00 16.50 N ATOM 344 C8 DG B 18 12.673 6.938 26.939 1.00 16.43 C ATOM 345 N7 DG B 18 12.337 6.794 25.684 1.00 16.56 N ATOM 346 C5 DG B 18 11.860 5.493 25.602 1.00 14.31 C ATOM 347 C6 DG B 18 11.338 4.759 24.493 1.00 16.05 C ATOM 348 O6 DG B 18 11.174 5.136 23.325 1.00 13.47 O ATOM 349 N1 DG B 18 10.979 3.465 24.858 1.00 16.94 N ATOM 350 C2 DG B 18 11.095 2.943 26.125 1.00 17.15 C ATOM 351 N2 DG B 18 10.697 1.673 26.295 1.00 14.06 N ATOM 352 N3 DG B 18 11.566 3.616 27.157 1.00 13.83 N ATOM 353 C4 DG B 18 11.926 4.872 26.827 1.00 13.93 C ATOM 354 OP1 DG B 18 11.034 10.651 31.899 1.00 18.65 O ATOM 355 OP2 DG B 18 11.806 10.821 29.449 1.00 16.55 O ATOM 356 O5' DG B 18 11.922 8.656 30.729 1.00 15.42 O ATOM 357 C5' DG B 18 11.366 7.651 31.566 1.00 16.83 C ATOM 358 C4' DG B 18 11.906 6.297 31.181 1.00 19.75 C ATOM 359 O4' DG B 18 11.524 5.980 29.820 1.00 23.87 O ATOM 360 C3' DG B 18 13.431 6.181 31.221 1.00 13.52 C ATOM 361 O3' DG B 18 13.757 4.851 31.639 1.00 19.14 O ATOM 362 C2' DG B 18 13.815 6.355 29.759 1.00 16.05 C ATOM 363 C1' DG B 18 12.682 5.594 29.109 1.00 14.86 C ATOM 364 P DG B 19 14.934 4.598 32.701 1.00 12.87 P ATOM 365 N9 DG B 19 15.053 2.496 27.493 1.00 14.79 N ATOM 366 C8 DG B 19 15.207 3.853 27.554 1.00 11.23 C ATOM 367 N7 DG B 19 15.039 4.442 26.406 1.00 18.81 N ATOM 368 C5 DG B 19 14.704 3.416 25.535 1.00 16.67 C ATOM 369 C6 DG B 19 14.429 3.451 24.138 1.00 15.96 C ATOM 370 O6 DG B 19 14.446 4.427 23.375 1.00 16.48 O ATOM 371 N1 DG B 19 14.123 2.186 23.645 1.00 18.44 N ATOM 372 C2 DG B 19 14.091 1.037 24.394 1.00 15.48 C ATOM 373 N2 DG B 19 13.773 -0.085 23.737 1.00 16.44 N ATOM 374 N3 DG B 19 14.352 0.990 25.697 1.00 13.59 N ATOM 375 C4 DG B 19 14.656 2.211 26.198 1.00 17.11 C ATOM 376 OP1 DG B 19 14.272 4.275 33.993 1.00 17.39 O ATOM 377 OP2 DG B 19 15.897 5.721 32.631 1.00 14.95 O ATOM 378 O5' DG B 19 15.618 3.277 32.137 1.00 16.12 O ATOM 379 C5' DG B 19 14.880 2.066 32.087 1.00 15.99 C ATOM 380 C4' DG B 19 15.215 1.267 30.847 1.00 15.13 C ATOM 381 O4' DG B 19 14.518 1.761 29.665 1.00 16.57 O ATOM 382 C3' DG B 19 16.697 1.151 30.479 1.00 16.77 C ATOM 383 O3' DG B 19 17.074 -0.224 30.370 1.00 15.71 O ATOM 384 C2' DG B 19 16.768 1.791 29.109 1.00 15.89 C ATOM 385 C1' DG B 19 15.369 1.542 28.553 1.00 14.48 C ATOM 386 P DT B 20 18.558 -0.628 29.880 1.00 18.03 P ATOM 387 N1 DT B 20 17.828 -0.639 24.740 1.00 18.13 N ATOM 388 C2 DT B 20 17.473 -0.302 23.449 1.00 16.84 C ATOM 389 O2 DT B 20 17.233 -1.129 22.581 1.00 15.13 O ATOM 390 N3 DT B 20 17.413 1.050 23.213 1.00 13.45 N ATOM 391 C4 DT B 20 17.677 2.071 24.108 1.00 17.41 C ATOM 392 O4 DT B 20 17.588 3.243 23.750 1.00 17.34 O ATOM 393 C5 DT B 20 18.053 1.644 25.435 1.00 13.29 C ATOM 394 C6 DT B 20 18.102 0.333 25.680 1.00 16.54 C ATOM 395 OP1 DT B 20 19.093 -1.612 30.860 1.00 16.92 O ATOM 396 OP2 DT B 20 19.359 0.577 29.549 1.00 17.99 O ATOM 397 O5' DT B 20 18.278 -1.397 28.509 1.00 15.64 O ATOM 398 C5' DT B 20 17.371 -2.500 28.462 1.00 17.03 C ATOM 399 C4' DT B 20 17.458 -3.202 27.125 1.00 20.42 C ATOM 400 O4' DT B 20 16.921 -2.338 26.091 1.00 11.45 O ATOM 401 C3' DT B 20 18.870 -3.588 26.675 1.00 15.71 C ATOM 402 O3' DT B 20 18.878 -4.760 25.881 1.00 14.73 O ATOM 403 C2' DT B 20 19.255 -2.469 25.727 1.00 15.53 C ATOM 404 C1' DT B 20 17.917 -2.075 25.104 1.00 16.62 C ATOM 405 C7 DT B 20 18.376 2.676 26.470 1.00 14.14 C TER 406 DT B 20 ATOM 407 N MET C 1 -14.358 13.416 9.007 1.00 48.14 N ATOM 408 CA MET C 1 -14.660 12.744 7.707 1.00 47.68 C ATOM 409 C MET C 1 -13.362 12.270 7.055 1.00 47.33 C ATOM 410 O MET C 1 -13.026 12.659 5.930 1.00 48.04 O ATOM 411 CB MET C 1 -15.401 13.710 6.770 1.00 48.84 C ATOM 412 CG MET C 1 -15.913 13.080 5.475 1.00 50.02 C ATOM 413 SD MET C 1 -15.697 14.169 4.032 1.00 53.05 S ATOM 414 CE MET C 1 -14.142 13.511 3.314 1.00 50.78 C ATOM 415 N ASP C 2 -12.633 11.425 7.779 1.00 45.55 N ATOM 416 CA ASP C 2 -11.368 10.876 7.296 1.00 43.31 C ATOM 417 C ASP C 2 -11.590 9.499 6.655 1.00 41.91 C ATOM 418 O ASP C 2 -12.731 9.052 6.492 1.00 42.52 O ATOM 419 CB ASP C 2 -10.383 10.751 8.465 1.00 41.90 C ATOM 420 CG ASP C 2 -11.014 10.104 9.689 1.00 41.75 C ATOM 421 OD1 ASP C 2 -11.913 10.727 10.300 1.00 41.03 O ATOM 422 OD2 ASP C 2 -10.611 8.972 10.039 1.00 40.75 O ATOM 423 N SER C 3 -10.499 8.834 6.284 1.00 40.22 N ATOM 424 CA SER C 3 -10.591 7.502 5.691 1.00 37.78 C ATOM 425 C SER C 3 -10.700 6.479 6.821 1.00 36.38 C ATOM 426 O SER C 3 -9.978 6.570 7.826 1.00 36.39 O ATOM 427 CB SER C 3 -9.352 7.205 4.842 1.00 37.24 C ATOM 428 OG SER C 3 -9.441 5.927 4.236 1.00 36.02 O ATOM 429 N ALA C 4 -11.609 5.518 6.662 1.00 33.88 N ATOM 430 CA ALA C 4 -11.808 4.473 7.667 1.00 31.57 C ATOM 431 C ALA C 4 -10.742 3.401 7.494 1.00 29.65 C ATOM 432 O ALA C 4 -10.769 2.359 8.155 1.00 29.38 O ATOM 433 CB ALA C 4 -13.172 3.858 7.504 1.00 31.46 C ATOM 434 N ILE C 5 -9.810 3.666 6.585 1.00 27.46 N ATOM 435 CA ILE C 5 -8.735 2.739 6.294 1.00 24.88 C ATOM 436 C ILE C 5 -7.933 2.403 7.549 1.00 23.07 C ATOM 437 O ILE C 5 -7.698 3.252 8.412 1.00 23.24 O ATOM 438 CB ILE C 5 -7.786 3.318 5.197 1.00 25.14 C ATOM 439 CG1 ILE C 5 -6.706 2.299 4.840 1.00 24.63 C ATOM 440 CG2 ILE C 5 -7.151 4.615 5.676 1.00 25.14 C ATOM 441 CD1 ILE C 5 -7.022 1.487 3.626 1.00 25.13 C ATOM 442 N THR C 6 -7.537 1.141 7.630 1.00 19.71 N ATOM 443 CA THR C 6 -6.743 0.612 8.726 1.00 18.05 C ATOM 444 C THR C 6 -5.270 0.853 8.347 1.00 16.47 C ATOM 445 O THR C 6 -4.983 1.093 7.175 1.00 15.38 O ATOM 446 CB THR C 6 -7.047 -0.888 8.862 1.00 17.62 C ATOM 447 OG1 THR C 6 -7.414 -1.185 10.210 1.00 20.34 O ATOM 448 CG2 THR C 6 -5.878 -1.713 8.448 1.00 16.14 C ATOM 449 N LEU C 7 -4.339 0.805 9.302 1.00 14.83 N ATOM 450 CA LEU C 7 -2.934 1.042 8.934 1.00 13.70 C ATOM 451 C LEU C 7 -2.346 -0.105 8.111 1.00 12.67 C ATOM 452 O LEU C 7 -1.597 0.127 7.163 1.00 13.35 O ATOM 453 CB LEU C 7 -2.043 1.295 10.167 1.00 13.14 C ATOM 454 CG LEU C 7 -0.515 1.289 9.918 1.00 12.58 C ATOM 455 CD1 LEU C 7 -0.103 2.535 9.145 1.00 11.31 C ATOM 456 CD2 LEU C 7 0.243 1.212 11.254 1.00 11.96 C ATOM 457 N TRP C 8 -2.672 -1.342 8.456 1.00 12.37 N ATOM 458 CA TRP C 8 -2.122 -2.445 7.691 1.00 11.96 C ATOM 459 C TRP C 8 -2.766 -2.496 6.303 1.00 11.14 C ATOM 460 O TRP C 8 -2.176 -3.028 5.373 1.00 10.62 O ATOM 461 CB TRP C 8 -2.280 -3.780 8.438 1.00 12.42 C ATOM 462 CG TRP C 8 -3.690 -4.241 8.644 1.00 14.71 C ATOM 463 CD1 TRP C 8 -4.428 -4.130 9.789 1.00 13.68 C ATOM 464 CD2 TRP C 8 -4.539 -4.884 7.677 1.00 15.24 C ATOM 465 NE1 TRP C 8 -5.687 -4.661 9.596 1.00 14.95 N ATOM 466 CE2 TRP C 8 -5.782 -5.132 8.310 1.00 15.66 C ATOM 467 CE3 TRP C 8 -4.370 -5.273 6.339 1.00 14.21 C ATOM 468 CZ2 TRP C 8 -6.853 -5.753 7.649 1.00 15.13 C ATOM 469 CZ3 TRP C 8 -5.434 -5.890 5.682 1.00 15.09 C ATOM 470 CH2 TRP C 8 -6.659 -6.122 6.339 1.00 15.89 C ATOM 471 N GLN C 9 -3.956 -1.915 6.159 1.00 10.26 N ATOM 472 CA GLN C 9 -4.644 -1.901 4.861 1.00 11.58 C ATOM 473 C GLN C 9 -4.031 -0.811 3.997 1.00 12.02 C ATOM 474 O GLN C 9 -3.926 -0.942 2.779 1.00 12.36 O ATOM 475 CB GLN C 9 -6.130 -1.592 5.022 1.00 12.48 C ATOM 476 CG GLN C 9 -6.971 -2.692 5.623 1.00 13.65 C ATOM 477 CD GLN C 9 -8.365 -2.194 5.989 1.00 14.77 C ATOM 478 OE1 GLN C 9 -8.672 -1.014 5.829 1.00 14.89 O ATOM 479 NE2 GLN C 9 -9.213 -3.090 6.475 1.00 16.11 N ATOM 480 N PHE C 10 -3.644 0.277 4.654 1.00 12.02 N ATOM 481 CA PHE C 10 -3.032 1.420 4.001 1.00 12.30 C ATOM 482 C PHE C 10 -1.670 1.009 3.451 1.00 12.37 C ATOM 483 O PHE C 10 -1.290 1.417 2.357 1.00 11.81 O ATOM 484 CB PHE C 10 -2.889 2.559 5.010 1.00 12.03 C ATOM 485 CG PHE C 10 -2.050 3.708 4.530 1.00 13.06 C ATOM 486 CD1 PHE C 10 -2.574 4.651 3.657 1.00 13.40 C ATOM 487 CD2 PHE C 10 -0.740 3.863 4.977 1.00 12.38 C ATOM 488 CE1 PHE C 10 -1.805 5.734 3.239 1.00 13.80 C ATOM 489 CE2 PHE C 10 0.036 4.942 4.567 1.00 12.21 C ATOM 490 CZ PHE C 10 -0.491 5.875 3.701 1.00 13.42 C ATOM 491 N LEU C 11 -0.944 0.193 4.211 1.00 11.56 N ATOM 492 CA LEU C 11 0.369 -0.277 3.776 1.00 11.48 C ATOM 493 C LEU C 11 0.181 -1.185 2.575 1.00 12.32 C ATOM 494 O LEU C 11 0.926 -1.104 1.598 1.00 11.73 O ATOM 495 CB LEU C 11 1.061 -1.031 4.908 1.00 10.56 C ATOM 496 CG LEU C 11 1.430 -0.088 6.057 1.00 10.59 C ATOM 497 CD1 LEU C 11 2.062 -0.884 7.184 1.00 10.95 C ATOM 498 CD2 LEU C 11 2.381 1.011 5.546 1.00 10.23 C ATOM 499 N LEU C 12 -0.833 -2.043 2.660 1.00 12.43 N ATOM 500 CA LEU C 12 -1.168 -2.966 1.583 1.00 13.65 C ATOM 501 C LEU C 12 -1.523 -2.162 0.331 1.00 13.79 C ATOM 502 O LEU C 12 -1.217 -2.566 -0.785 1.00 15.40 O ATOM 503 CB LEU C 12 -2.357 -3.847 1.999 1.00 13.90 C ATOM 504 CG LEU C 12 -2.180 -5.372 2.114 1.00 14.96 C ATOM 505 CD1 LEU C 12 -0.756 -5.749 2.541 1.00 14.23 C ATOM 506 CD2 LEU C 12 -3.200 -5.907 3.101 1.00 13.90 C ATOM 507 N GLN C 13 -2.155 -1.015 0.517 1.00 14.28 N ATOM 508 CA GLN C 13 -2.525 -0.179 -0.615 1.00 16.00 C ATOM 509 C GLN C 13 -1.292 0.389 -1.324 1.00 15.46 C ATOM 510 O GLN C 13 -1.210 0.358 -2.554 1.00 14.97 O ATOM 511 CB GLN C 13 -3.443 0.955 -0.153 1.00 18.13 C ATOM 512 CG GLN C 13 -4.773 1.019 -0.905 1.00 22.10 C ATOM 513 CD GLN C 13 -5.982 1.226 0.013 1.00 24.06 C ATOM 514 OE1 GLN C 13 -6.947 0.447 -0.022 1.00 25.48 O ATOM 515 NE2 GLN C 13 -5.936 2.280 0.834 1.00 24.49 N ATOM 516 N LEU C 14 -0.335 0.897 -0.549 1.00 14.25 N ATOM 517 CA LEU C 14 0.901 1.459 -1.108 1.00 13.32 C ATOM 518 C LEU C 14 1.700 0.372 -1.809 1.00 13.33 C ATOM 519 O LEU C 14 2.312 0.602 -2.858 1.00 12.12 O ATOM 520 CB LEU C 14 1.768 2.084 0.001 1.00 12.53 C ATOM 521 CG LEU C 14 1.167 3.283 0.744 1.00 12.36 C ATOM 522 CD1 LEU C 14 2.045 3.674 1.912 1.00 11.75 C ATOM 523 CD2 LEU C 14 1.014 4.454 -0.215 1.00 13.50 C ATOM 524 N LEU C 15 1.689 -0.816 -1.217 1.00 12.74 N ATOM 525 CA LEU C 15 2.410 -1.956 -1.759 1.00 13.71 C ATOM 526 C LEU C 15 1.807 -2.461 -3.092 1.00 14.78 C ATOM 527 O LEU C 15 2.419 -3.262 -3.791 1.00 14.32 O ATOM 528 CB LEU C 15 2.413 -3.084 -0.723 1.00 12.89 C ATOM 529 CG LEU C 15 3.675 -3.555 0.025 1.00 12.15 C ATOM 530 CD1 LEU C 15 4.879 -2.696 -0.284 1.00 11.12 C ATOM 531 CD2 LEU C 15 3.391 -3.570 1.516 1.00 11.61 C ATOM 532 N GLN C 16 0.615 -1.991 -3.438 1.00 15.88 N ATOM 533 CA GLN C 16 -0.045 -2.417 -4.672 1.00 18.12 C ATOM 534 C GLN C 16 0.300 -1.509 -5.867 1.00 18.00 C ATOM 535 O GLN C 16 0.163 -1.903 -7.024 1.00 18.24 O ATOM 536 CB GLN C 16 -1.564 -2.440 -4.445 1.00 21.41 C ATOM 537 CG GLN C 16 -2.386 -3.234 -5.465 1.00 26.16 C ATOM 538 CD GLN C 16 -1.803 -4.615 -5.775 1.00 29.74 C ATOM 539 OE1 GLN C 16 -1.380 -5.348 -4.875 1.00 32.32 O ATOM 540 NE2 GLN C 16 -1.788 -4.975 -7.058 1.00 30.30 N ATOM 541 N LYS C 17 0.766 -0.300 -5.581 1.00 18.05 N ATOM 542 CA LYS C 17 1.094 0.654 -6.628 1.00 17.81 C ATOM 543 C LYS C 17 2.595 0.875 -6.823 1.00 16.99 C ATOM 544 O LYS C 17 3.308 1.257 -5.893 1.00 15.88 O ATOM 545 CB LYS C 17 0.406 1.987 -6.327 1.00 18.91 C ATOM 546 CG LYS C 17 -1.072 1.848 -6.028 1.00 20.88 C ATOM 547 CD LYS C 17 -1.866 1.588 -7.302 1.00 22.33 C ATOM 548 CE LYS C 17 -3.276 1.100 -6.998 1.00 21.94 C ATOM 549 NZ LYS C 17 -4.145 2.220 -6.568 1.00 24.52 N ATOM 550 N PRO C 18 3.088 0.651 -8.056 1.00 16.53 N ATOM 551 CA PRO C 18 4.506 0.820 -8.397 1.00 15.39 C ATOM 552 C PRO C 18 5.018 2.202 -8.032 1.00 13.18 C ATOM 553 O PRO C 18 6.188 2.374 -7.705 1.00 12.91 O ATOM 554 CB PRO C 18 4.548 0.585 -9.910 1.00 16.16 C ATOM 555 CG PRO C 18 3.347 -0.239 -10.195 1.00 17.25 C ATOM 556 CD PRO C 18 2.294 0.237 -9.227 1.00 17.73 C ATOM 557 N GLN C 19 4.128 3.184 -8.093 1.00 12.58 N ATOM 558 CA GLN C 19 4.476 4.559 -7.780 1.00 13.24 C ATOM 559 C GLN C 19 5.068 4.718 -6.385 1.00 13.21 C ATOM 560 O GLN C 19 5.790 5.683 -6.128 1.00 12.78 O ATOM 561 CB GLN C 19 3.245 5.459 -7.886 1.00 14.67 C ATOM 562 CG GLN C 19 2.343 5.148 -9.064 1.00 19.09 C ATOM 563 CD GLN C 19 1.169 4.256 -8.696 1.00 20.01 C ATOM 564 OE1 GLN C 19 1.171 3.059 -8.993 1.00 19.64 O ATOM 565 NE2 GLN C 19 0.156 4.837 -8.051 1.00 20.47 N ATOM 566 N ASN C 20 4.756 3.785 -5.489 1.00 12.67 N ATOM 567 CA ASN C 20 5.246 3.857 -4.110 1.00 12.68 C ATOM 568 C ASN C 20 6.346 2.871 -3.777 1.00 13.13 C ATOM 569 O ASN C 20 6.733 2.745 -2.610 1.00 13.10 O ATOM 570 CB ASN C 20 4.089 3.646 -3.133 1.00 12.27 C ATOM 571 CG ASN C 20 2.858 4.419 -3.522 1.00 11.64 C ATOM 572 OD1 ASN C 20 2.827 5.640 -3.418 1.00 12.43 O ATOM 573 ND2 ASN C 20 1.832 3.710 -3.974 1.00 11.23 N ATOM 574 N LYS C 21 6.839 2.163 -4.791 1.00 12.56 N ATOM 575 CA LYS C 21 7.899 1.180 -4.591 1.00 12.71 C ATOM 576 C LYS C 21 9.150 1.832 -4.004 1.00 12.06 C ATOM 577 O LYS C 21 9.897 1.197 -3.257 1.00 12.10 O ATOM 578 CB LYS C 21 8.251 0.503 -5.916 1.00 14.24 C ATOM 579 CG LYS C 21 8.017 -0.989 -5.936 1.00 17.58 C ATOM 580 CD LYS C 21 8.761 -1.624 -7.093 1.00 18.54 C ATOM 581 CE LYS C 21 10.218 -1.875 -6.713 1.00 20.06 C ATOM 582 NZ LYS C 21 10.382 -3.147 -5.954 1.00 21.36 N ATOM 583 N HIS C 22 9.378 3.098 -4.334 1.00 11.26 N ATOM 584 CA HIS C 22 10.550 3.795 -3.815 1.00 11.41 C ATOM 585 C HIS C 22 10.450 4.075 -2.319 1.00 10.93 C ATOM 586 O HIS C 22 11.466 4.326 -1.680 1.00 10.91 O ATOM 587 CB HIS C 22 10.776 5.119 -4.547 1.00 9.28 C ATOM 588 CG HIS C 22 9.704 6.129 -4.298 1.00 9.58 C ATOM 589 ND1 HIS C 22 8.481 6.080 -4.928 1.00 9.37 N ATOM 590 CD2 HIS C 22 9.672 7.221 -3.501 1.00 8.54 C ATOM 591 CE1 HIS C 22 7.742 7.098 -4.534 1.00 7.65 C ATOM 592 NE2 HIS C 22 8.440 7.806 -3.666 1.00 7.72 N ATOM 593 N MET C 23 9.241 4.039 -1.756 1.00 10.59 N ATOM 594 CA MET C 23 9.090 4.302 -0.325 1.00 9.82 C ATOM 595 C MET C 23 8.722 3.068 0.499 1.00 10.39 C ATOM 596 O MET C 23 8.972 3.021 1.713 1.00 9.33 O ATOM 597 CB MET C 23 8.077 5.430 -0.094 1.00 10.40 C ATOM 598 CG MET C 23 6.630 5.021 -0.136 1.00 10.96 C ATOM 599 SD MET C 23 5.578 6.442 0.245 1.00 12.43 S ATOM 600 CE MET C 23 5.563 7.290 -1.388 1.00 12.88 C ATOM 601 N ILE C 24 8.132 2.075 -0.158 1.00 10.11 N ATOM 602 CA ILE C 24 7.755 0.821 0.492 1.00 10.87 C ATOM 603 C ILE C 24 7.678 -0.280 -0.570 1.00 11.19 C ATOM 604 O ILE C 24 6.964 -0.156 -1.564 1.00 11.01 O ATOM 605 CB ILE C 24 6.405 0.948 1.257 1.00 10.16 C ATOM 606 CG1 ILE C 24 6.038 -0.401 1.885 1.00 10.04 C ATOM 607 CG2 ILE C 24 5.318 1.458 0.334 1.00 11.05 C ATOM 608 CD1 ILE C 24 4.928 -0.323 2.935 1.00 10.49 C ATOM 609 N CYS C 25 8.434 -1.354 -0.367 1.00 11.32 N ATOM 610 CA CYS C 25 8.470 -2.438 -1.343 1.00 11.83 C ATOM 611 C CYS C 25 8.447 -3.820 -0.703 1.00 12.69 C ATOM 612 O CYS C 25 8.791 -3.980 0.470 1.00 13.01 O ATOM 613 CB CYS C 25 9.736 -2.306 -2.189 1.00 12.02 C ATOM 614 SG CYS C 25 11.265 -2.574 -1.211 1.00 13.67 S ATOM 615 N TRP C 26 8.031 -4.821 -1.474 1.00 12.71 N ATOM 616 CA TRP C 26 8.006 -6.191 -0.972 1.00 12.43 C ATOM 617 C TRP C 26 9.446 -6.677 -1.057 1.00 12.97 C ATOM 618 O TRP C 26 10.159 -6.364 -2.021 1.00 11.73 O ATOM 619 CB TRP C 26 7.124 -7.096 -1.846 1.00 11.87 C ATOM 620 CG TRP C 26 5.648 -6.831 -1.770 1.00 12.13 C ATOM 621 CD1 TRP C 26 4.856 -6.327 -2.764 1.00 12.17 C ATOM 622 CD2 TRP C 26 4.774 -7.121 -0.670 1.00 11.94 C ATOM 623 NE1 TRP C 26 3.543 -6.290 -2.354 1.00 12.73 N ATOM 624 CE2 TRP C 26 3.462 -6.772 -1.074 1.00 12.33 C ATOM 625 CE3 TRP C 26 4.971 -7.644 0.620 1.00 11.12 C ATOM 626 CZ2 TRP C 26 2.347 -6.929 -0.235 1.00 11.66 C ATOM 627 CZ3 TRP C 26 3.862 -7.801 1.455 1.00 10.62 C ATOM 628 CH2 TRP C 26 2.565 -7.443 1.020 1.00 11.37 C ATOM 629 N THR C 27 9.876 -7.430 -0.052 1.00 13.09 N ATOM 630 CA THR C 27 11.232 -7.957 -0.026 1.00 14.65 C ATOM 631 C THR C 27 11.215 -9.474 -0.020 1.00 15.30 C ATOM 632 O THR C 27 12.252 -10.122 0.112 1.00 14.68 O ATOM 633 CB THR C 27 11.998 -7.461 1.202 1.00 13.89 C ATOM 634 OG1 THR C 27 11.241 -7.735 2.378 1.00 15.65 O ATOM 635 CG2 THR C 27 12.227 -5.974 1.105 1.00 14.44 C ATOM 636 N SER C 28 10.022 -10.040 -0.159 1.00 15.80 N ATOM 637 CA SER C 28 9.868 -11.486 -0.203 1.00 16.47 C ATOM 638 C SER C 28 8.556 -11.828 -0.896 1.00 16.94 C ATOM 639 O SER C 28 7.742 -10.939 -1.162 1.00 16.98 O ATOM 640 CB SER C 28 9.878 -12.075 1.214 1.00 17.89 C ATOM 641 OG SER C 28 8.560 -12.287 1.707 1.00 15.83 O ATOM 642 N ASN C 29 8.365 -13.114 -1.195 1.00 17.88 N ATOM 643 CA ASN C 29 7.139 -13.584 -1.834 1.00 18.92 C ATOM 644 C ASN C 29 6.224 -14.245 -0.796 1.00 19.46 C ATOM 645 O ASN C 29 5.378 -15.085 -1.139 1.00 19.01 O ATOM 646 CB ASN C 29 7.459 -14.574 -2.957 1.00 20.55 C ATOM 647 CG ASN C 29 8.071 -15.859 -2.444 1.00 22.02 C ATOM 648 OD1 ASN C 29 8.587 -15.917 -1.323 1.00 23.49 O ATOM 649 ND2 ASN C 29 8.021 -16.903 -3.267 1.00 23.01 N ATOM 650 N ASP C 30 6.406 -13.875 0.475 1.00 19.08 N ATOM 651 CA ASP C 30 5.564 -14.422 1.534 1.00 18.88 C ATOM 652 C ASP C 30 5.128 -13.409 2.596 1.00 18.10 C ATOM 653 O ASP C 30 4.908 -13.765 3.757 1.00 18.10 O ATOM 654 CB ASP C 30 6.231 -15.651 2.175 1.00 20.05 C ATOM 655 CG ASP C 30 7.444 -15.311 3.025 1.00 19.64 C ATOM 656 OD1 ASP C 30 7.927 -14.158 2.975 1.00 19.75 O ATOM 657 OD2 ASP C 30 7.914 -16.223 3.747 1.00 20.86 O ATOM 658 N GLY C 31 5.001 -12.145 2.190 1.00 17.67 N ATOM 659 CA GLY C 31 4.542 -11.109 3.104 1.00 15.78 C ATOM 660 C GLY C 31 5.525 -10.097 3.664 1.00 15.01 C ATOM 661 O GLY C 31 5.108 -9.128 4.297 1.00 15.54 O ATOM 662 N GLN C 32 6.816 -10.309 3.436 1.00 14.35 N ATOM 663 CA GLN C 32 7.860 -9.414 3.937 1.00 13.67 C ATOM 664 C GLN C 32 7.968 -8.122 3.119 1.00 13.33 C ATOM 665 O GLN C 32 7.941 -8.145 1.888 1.00 11.91 O ATOM 666 CB GLN C 32 9.194 -10.149 3.912 1.00 14.92 C ATOM 667 CG GLN C 32 10.215 -9.669 4.912 1.00 18.62 C ATOM 668 CD GLN C 32 11.237 -10.743 5.233 1.00 19.87 C ATOM 669 OE1 GLN C 32 10.899 -11.921 5.369 1.00 22.44 O ATOM 670 NE2 GLN C 32 12.492 -10.344 5.352 1.00 22.35 N ATOM 671 N PHE C 33 8.091 -6.992 3.803 1.00 12.08 N ATOM 672 CA PHE C 33 8.195 -5.713 3.119 1.00 11.28 C ATOM 673 C PHE C 33 9.123 -4.791 3.883 1.00 11.58 C ATOM 674 O PHE C 33 9.396 -5.025 5.056 1.00 11.41 O ATOM 675 CB PHE C 33 6.806 -5.067 2.958 1.00 10.42 C ATOM 676 CG PHE C 33 6.147 -4.669 4.263 1.00 9.28 C ATOM 677 CD1 PHE C 33 5.426 -5.603 5.010 1.00 9.59 C ATOM 678 CD2 PHE C 33 6.239 -3.360 4.736 1.00 9.03 C ATOM 679 CE1 PHE C 33 4.803 -5.233 6.223 1.00 7.34 C ATOM 680 CE2 PHE C 33 5.622 -2.980 5.941 1.00 8.14 C ATOM 681 CZ PHE C 33 4.905 -3.920 6.680 1.00 7.02 C ATOM 682 N LYS C 34 9.606 -3.748 3.211 1.00 11.68 N ATOM 683 CA LYS C 34 10.522 -2.791 3.819 1.00 11.90 C ATOM 684 C LYS C 34 10.136 -1.342 3.532 1.00 12.16 C ATOM 685 O LYS C 34 9.821 -0.972 2.391 1.00 10.80 O ATOM 686 CB LYS C 34 11.948 -3.057 3.317 1.00 12.29 C ATOM 687 CG LYS C 34 12.983 -2.010 3.717 1.00 13.19 C ATOM 688 CD LYS C 34 14.400 -2.485 3.373 1.00 14.49 C ATOM 689 CE LYS C 34 15.466 -1.542 3.917 1.00 15.79 C ATOM 690 NZ LYS C 34 14.892 -0.296 4.508 1.00 16.74 N ATOM 691 N LEU C 35 10.147 -0.527 4.587 1.00 12.51 N ATOM 692 CA LEU C 35 9.837 0.890 4.475 1.00 12.86 C ATOM 693 C LEU C 35 11.118 1.607 4.045 1.00 13.32 C ATOM 694 O LEU C 35 11.896 2.086 4.884 1.00 13.56 O ATOM 695 CB LEU C 35 9.357 1.438 5.823 1.00 14.11 C ATOM 696 CG LEU C 35 8.166 0.710 6.442 1.00 14.11 C ATOM 697 CD1 LEU C 35 8.080 1.046 7.927 1.00 14.99 C ATOM 698 CD2 LEU C 35 6.896 1.121 5.718 1.00 13.04 C ATOM 699 N LEU C 36 11.337 1.666 2.731 1.00 12.82 N ATOM 700 CA LEU C 36 12.523 2.307 2.177 1.00 11.99 C ATOM 701 C LEU C 36 12.591 3.754 2.608 1.00 10.86 C ATOM 702 O LEU C 36 13.658 4.253 2.933 1.00 10.61 O ATOM 703 CB LEU C 36 12.515 2.218 0.648 1.00 11.33 C ATOM 704 CG LEU C 36 12.502 0.813 0.049 1.00 12.80 C ATOM 705 CD1 LEU C 36 12.661 0.920 -1.458 1.00 12.15 C ATOM 706 CD2 LEU C 36 13.636 -0.029 0.637 1.00 13.59 C ATOM 707 N GLN C 37 11.441 4.422 2.595 1.00 11.05 N ATOM 708 CA GLN C 37 11.324 5.820 2.996 1.00 11.01 C ATOM 709 C GLN C 37 10.264 5.872 4.111 1.00 11.31 C ATOM 710 O GLN C 37 9.114 6.265 3.882 1.00 10.23 O ATOM 711 CB GLN C 37 10.878 6.668 1.800 1.00 11.79 C ATOM 712 CG GLN C 37 11.854 6.672 0.630 1.00 14.11 C ATOM 713 CD GLN C 37 13.223 7.238 0.990 1.00 15.46 C ATOM 714 OE1 GLN C 37 14.246 6.780 0.477 1.00 17.23 O ATOM 715 NE2 GLN C 37 13.249 8.241 1.872 1.00 15.64 N ATOM 716 N ALA C 38 10.682 5.474 5.314 1.00 12.36 N ATOM 717 CA ALA C 38 9.828 5.395 6.496 1.00 11.58 C ATOM 718 C ALA C 38 9.088 6.667 6.895 1.00 11.57 C ATOM 719 O ALA C 38 7.893 6.616 7.199 1.00 12.20 O ATOM 720 CB ALA C 38 10.640 4.880 7.663 1.00 12.17 C ATOM 721 N GLU C 39 9.785 7.801 6.900 1.00 10.34 N ATOM 722 CA GLU C 39 9.163 9.073 7.247 1.00 10.03 C ATOM 723 C GLU C 39 8.218 9.536 6.129 1.00 10.28 C ATOM 724 O GLU C 39 7.218 10.212 6.385 1.00 8.56 O ATOM 725 CB GLU C 39 10.238 10.130 7.494 1.00 10.80 C ATOM 726 CG GLU C 39 11.127 9.827 8.695 1.00 11.58 C ATOM 727 CD GLU C 39 10.352 9.745 10.013 1.00 12.52 C ATOM 728 OE1 GLU C 39 9.162 10.112 10.040 1.00 12.74 O ATOM 729 OE2 GLU C 39 10.943 9.313 11.023 1.00 12.35 O ATOM 730 N GLU C 40 8.537 9.187 4.883 1.00 10.18 N ATOM 731 CA GLU C 40 7.668 9.576 3.785 1.00 10.19 C ATOM 732 C GLU C 40 6.354 8.786 3.881 1.00 9.86 C ATOM 733 O GLU C 40 5.276 9.342 3.668 1.00 10.62 O ATOM 734 CB GLU C 40 8.337 9.333 2.428 1.00 8.63 C ATOM 735 CG GLU C 40 7.468 9.825 1.292 1.00 8.66 C ATOM 736 CD GLU C 40 8.092 9.654 -0.079 1.00 8.32 C ATOM 737 OE1 GLU C 40 9.163 9.016 -0.205 1.00 7.48 O ATOM 738 OE2 GLU C 40 7.495 10.178 -1.038 1.00 9.73 O ATOM 739 N VAL C 41 6.441 7.498 4.213 1.00 10.29 N ATOM 740 CA VAL C 41 5.245 6.659 4.362 1.00 9.15 C ATOM 741 C VAL C 41 4.414 7.203 5.534 1.00 10.06 C ATOM 742 O VAL C 41 3.185 7.242 5.464 1.00 9.64 O ATOM 743 CB VAL C 41 5.610 5.173 4.670 1.00 8.85 C ATOM 744 CG1 VAL C 41 4.368 4.397 5.062 1.00 8.85 C ATOM 745 CG2 VAL C 41 6.264 4.512 3.450 1.00 9.44 C ATOM 746 N ALA C 42 5.091 7.633 6.602 1.00 10.14 N ATOM 747 CA ALA C 42 4.412 8.161 7.792 1.00 10.96 C ATOM 748 C ALA C 42 3.652 9.457 7.514 1.00 11.19 C ATOM 749 O ALA C 42 2.543 9.671 8.025 1.00 12.54 O ATOM 750 CB ALA C 42 5.420 8.375 8.925 1.00 9.96 C ATOM 751 N ARG C 43 4.250 10.330 6.715 1.00 11.52 N ATOM 752 CA ARG C 43 3.610 11.592 6.367 1.00 11.02 C ATOM 753 C ARG C 43 2.358 11.292 5.542 1.00 11.29 C ATOM 754 O ARG C 43 1.308 11.923 5.724 1.00 11.57 O ATOM 755 CB ARG C 43 4.588 12.470 5.579 1.00 11.64 C ATOM 756 CG ARG C 43 5.741 13.009 6.429 1.00 12.39 C ATOM 757 CD ARG C 43 6.493 14.145 5.737 1.00 13.37 C ATOM 758 NE ARG C 43 7.182 13.703 4.522 1.00 14.66 N ATOM 759 CZ ARG C 43 8.445 13.297 4.482 1.00 14.57 C ATOM 760 NH1 ARG C 43 9.166 13.273 5.596 1.00 16.54 N ATOM 761 NH2 ARG C 43 8.987 12.918 3.334 1.00 13.51 N ATOM 762 N LEU C 44 2.468 10.309 4.653 1.00 11.55 N ATOM 763 CA LEU C 44 1.354 9.894 3.790 1.00 12.34 C ATOM 764 C LEU C 44 0.209 9.334 4.630 1.00 12.24 C ATOM 765 O LEU C 44 -0.964 9.530 4.322 1.00 11.45 O ATOM 766 CB LEU C 44 1.834 8.816 2.805 1.00 13.26 C ATOM 767 CG LEU C 44 1.091 8.643 1.479 1.00 12.89 C ATOM 768 CD1 LEU C 44 1.066 9.968 0.731 1.00 13.22 C ATOM 769 CD2 LEU C 44 1.781 7.573 0.654 1.00 12.61 C ATOM 770 N TRP C 45 0.569 8.623 5.692 1.00 11.97 N ATOM 771 CA TRP C 45 -0.403 8.025 6.606 1.00 12.60 C ATOM 772 C TRP C 45 -1.100 9.140 7.400 1.00 12.86 C ATOM 773 O TRP C 45 -2.317 9.114 7.613 1.00 12.48 O ATOM 774 CB TRP C 45 0.335 7.033 7.532 1.00 11.92 C ATOM 775 CG TRP C 45 -0.471 6.460 8.657 1.00 11.84 C ATOM 776 CD1 TRP C 45 -0.141 6.477 9.990 1.00 12.10 C ATOM 777 CD2 TRP C 45 -1.732 5.777 8.562 1.00 12.01 C ATOM 778 NE1 TRP C 45 -1.120 5.851 10.724 1.00 11.63 N ATOM 779 CE2 TRP C 45 -2.108 5.411 9.878 1.00 11.89 C ATOM 780 CE3 TRP C 45 -2.582 5.439 7.495 1.00 11.55 C ATOM 781 CZ2 TRP C 45 -3.302 4.720 10.156 1.00 12.16 C ATOM 782 CZ3 TRP C 45 -3.771 4.753 7.772 1.00 12.28 C ATOM 783 CH2 TRP C 45 -4.116 4.402 9.095 1.00 12.27 C ATOM 784 N GLY C 46 -0.324 10.133 7.818 1.00 13.12 N ATOM 785 CA GLY C 46 -0.893 11.245 8.559 1.00 13.54 C ATOM 786 C GLY C 46 -1.851 12.069 7.706 1.00 13.89 C ATOM 787 O GLY C 46 -2.833 12.613 8.213 1.00 12.56 O ATOM 788 N ILE C 47 -1.563 12.179 6.411 1.00 13.51 N ATOM 789 CA ILE C 47 -2.429 12.931 5.512 1.00 13.56 C ATOM 790 C ILE C 47 -3.747 12.161 5.392 1.00 14.81 C ATOM 791 O ILE C 47 -4.834 12.741 5.446 1.00 15.06 O ATOM 792 CB ILE C 47 -1.769 13.100 4.114 1.00 12.81 C ATOM 793 CG1 ILE C 47 -0.720 14.219 4.176 1.00 13.13 C ATOM 794 CG2 ILE C 47 -2.832 13.422 3.061 1.00 12.85 C ATOM 795 CD1 ILE C 47 0.226 14.285 2.994 1.00 13.51 C ATOM 796 N ARG C 48 -3.642 10.844 5.257 1.00 15.43 N ATOM 797 CA ARG C 48 -4.813 9.987 5.133 1.00 18.30 C ATOM 798 C ARG C 48 -5.712 10.021 6.381 1.00 18.37 C ATOM 799 O ARG C 48 -6.934 10.081 6.273 1.00 18.65 O ATOM 800 CB ARG C 48 -4.360 8.550 4.860 1.00 21.41 C ATOM 801 CG ARG C 48 -5.471 7.608 4.429 1.00 27.65 C ATOM 802 CD ARG C 48 -5.912 7.888 3.002 1.00 31.11 C ATOM 803 NE ARG C 48 -4.808 8.392 2.188 1.00 35.46 N ATOM 804 CZ ARG C 48 -4.819 8.441 0.859 1.00 37.45 C ATOM 805 NH1 ARG C 48 -5.879 8.013 0.175 1.00 38.27 N ATOM 806 NH2 ARG C 48 -3.762 8.915 0.211 1.00 37.35 N ATOM 807 N LYS C 49 -5.100 9.988 7.562 1.00 18.38 N ATOM 808 CA LYS C 49 -5.845 9.991 8.817 1.00 17.99 C ATOM 809 C LYS C 49 -6.034 11.386 9.389 1.00 18.18 C ATOM 810 O LYS C 49 -6.663 11.553 10.427 1.00 17.33 O ATOM 811 CB LYS C 49 -5.133 9.119 9.850 1.00 17.43 C ATOM 812 CG LYS C 49 -5.217 7.638 9.557 1.00 18.46 C ATOM 813 CD LYS C 49 -6.452 7.016 10.194 1.00 20.06 C ATOM 814 CE LYS C 49 -6.093 6.206 11.442 1.00 21.46 C ATOM 815 NZ LYS C 49 -6.068 7.033 12.679 1.00 22.33 N ATOM 816 N ASN C 50 -5.481 12.387 8.716 1.00 18.66 N ATOM 817 CA ASN C 50 -5.598 13.761 9.178 1.00 19.33 C ATOM 818 C ASN C 50 -4.805 14.041 10.468 1.00 19.35 C ATOM 819 O ASN C 50 -5.278 14.755 11.353 1.00 18.17 O ATOM 820 CB ASN C 50 -7.074 14.102 9.389 1.00 20.79 C ATOM 821 CG ASN C 50 -7.452 15.428 8.788 1.00 22.56 C ATOM 822 OD1 ASN C 50 -7.278 16.479 9.416 1.00 23.99 O ATOM 823 ND2 ASN C 50 -7.967 15.397 7.558 1.00 22.79 N ATOM 824 N LYS C 51 -3.605 13.471 10.567 1.00 18.39 N ATOM 825 CA LYS C 51 -2.727 13.671 11.730 1.00 18.54 C ATOM 826 C LYS C 51 -1.411 14.280 11.218 1.00 17.93 C ATOM 827 O LYS C 51 -0.425 13.570 11.007 1.00 18.14 O ATOM 828 CB LYS C 51 -2.447 12.331 12.428 1.00 17.54 C ATOM 829 CG LYS C 51 -3.692 11.586 12.887 1.00 18.26 C ATOM 830 CD LYS C 51 -4.284 12.205 14.155 1.00 19.94 C ATOM 831 CE LYS C 51 -5.620 11.551 14.522 1.00 20.86 C ATOM 832 NZ LYS C 51 -6.372 12.356 15.535 1.00 22.14 N ATOM 833 N PRO C 52 -1.381 15.610 11.033 1.00 17.51 N ATOM 834 CA PRO C 52 -0.212 16.345 10.537 1.00 17.45 C ATOM 835 C PRO C 52 1.104 16.112 11.244 1.00 16.74 C ATOM 836 O PRO C 52 2.155 16.373 10.672 1.00 16.69 O ATOM 837 CB PRO C 52 -0.638 17.811 10.610 1.00 17.13 C ATOM 838 CG PRO C 52 -1.811 17.830 11.517 1.00 17.91 C ATOM 839 CD PRO C 52 -2.498 16.521 11.330 1.00 18.33 C ATOM 840 N ASN C 53 1.060 15.627 12.479 1.00 16.40 N ATOM 841 CA ASN C 53 2.297 15.396 13.219 1.00 15.45 C ATOM 842 C ASN C 53 2.729 13.937 13.211 1.00 14.41 C ATOM 843 O ASN C 53 3.606 13.539 13.977 1.00 13.44 O ATOM 844 CB ASN C 53 2.148 15.881 14.658 1.00 16.44 C ATOM 845 CG ASN C 53 1.656 17.314 14.738 1.00 18.48 C ATOM 846 OD1 ASN C 53 0.675 17.610 15.423 1.00 21.02 O ATOM 847 ND2 ASN C 53 2.334 18.210 14.037 1.00 17.02 N ATOM 848 N MET C 54 2.114 13.144 12.334 1.00 13.34 N ATOM 849 CA MET C 54 2.438 11.727 12.221 1.00 12.77 C ATOM 850 C MET C 54 3.869 11.546 11.720 1.00 12.48 C ATOM 851 O MET C 54 4.325 12.263 10.824 1.00 12.31 O ATOM 852 CB MET C 54 1.456 11.035 11.254 1.00 12.86 C ATOM 853 CG MET C 54 1.642 9.522 11.100 1.00 9.65 C ATOM 854 SD MET C 54 1.898 8.592 12.638 1.00 12.30 S ATOM 855 CE MET C 54 0.306 8.848 13.488 1.00 10.42 C ATOM 856 N ASN C 55 4.588 10.605 12.317 1.00 11.48 N ATOM 857 CA ASN C 55 5.947 10.331 11.880 1.00 11.27 C ATOM 858 C ASN C 55 6.185 8.840 12.036 1.00 11.24 C ATOM 859 O ASN C 55 5.294 8.108 12.496 1.00 10.72 O ATOM 860 CB ASN C 55 6.976 11.154 12.676 1.00 10.80 C ATOM 861 CG ASN C 55 6.892 10.919 14.163 1.00 10.59 C ATOM 862 OD1 ASN C 55 6.516 9.843 14.604 1.00 11.77 O ATOM 863 ND2 ASN C 55 7.247 11.931 14.948 1.00 9.97 N ATOM 864 N TYR C 56 7.368 8.378 11.644 1.00 9.65 N ATOM 865 CA TYR C 56 7.657 6.957 11.734 1.00 9.41 C ATOM 866 C TYR C 56 7.709 6.457 13.178 1.00 9.09 C ATOM 867 O TYR C 56 7.413 5.294 13.448 1.00 9.69 O ATOM 868 CB TYR C 56 8.969 6.632 11.018 1.00 8.18 C ATOM 869 CG TYR C 56 9.331 5.170 11.078 1.00 7.50 C ATOM 870 CD1 TYR C 56 8.417 4.190 10.672 1.00 5.68 C ATOM 871 CD2 TYR C 56 10.572 4.758 11.571 1.00 5.84 C ATOM 872 CE1 TYR C 56 8.731 2.841 10.759 1.00 6.06 C ATOM 873 CE2 TYR C 56 10.893 3.408 11.663 1.00 5.84 C ATOM 874 CZ TYR C 56 9.968 2.457 11.258 1.00 5.03 C ATOM 875 OH TYR C 56 10.265 1.127 11.371 1.00 4.77 O ATOM 876 N ASP C 57 8.089 7.333 14.100 1.00 9.57 N ATOM 877 CA ASP C 57 8.156 6.952 15.508 1.00 10.25 C ATOM 878 C ASP C 57 6.808 6.390 15.949 1.00 10.20 C ATOM 879 O ASP C 57 6.719 5.256 16.418 1.00 10.44 O ATOM 880 CB ASP C 57 8.504 8.171 16.355 1.00 11.38 C ATOM 881 CG ASP C 57 8.725 7.828 17.820 1.00 13.26 C ATOM 882 OD1 ASP C 57 8.722 6.638 18.183 1.00 15.46 O ATOM 883 OD2 ASP C 57 8.907 8.765 18.611 1.00 15.16 O ATOM 884 N LYS C 58 5.761 7.191 15.778 1.00 10.70 N ATOM 885 CA LYS C 58 4.413 6.796 16.162 1.00 10.53 C ATOM 886 C LYS C 58 3.806 5.728 15.251 1.00 9.80 C ATOM 887 O LYS C 58 3.042 4.896 15.714 1.00 9.96 O ATOM 888 CB LYS C 58 3.514 8.034 16.207 1.00 10.90 C ATOM 889 CG LYS C 58 3.918 9.026 17.293 1.00 10.57 C ATOM 890 CD LYS C 58 3.076 10.289 17.238 1.00 10.36 C ATOM 891 CE LYS C 58 3.729 11.368 16.388 1.00 10.57 C ATOM 892 NZ LYS C 58 2.956 12.649 16.380 1.00 8.98 N ATOM 893 N LEU C 59 4.131 5.745 13.959 1.00 9.78 N ATOM 894 CA LEU C 59 3.596 4.726 13.054 1.00 8.53 C ATOM 895 C LEU C 59 4.143 3.365 13.478 1.00 8.51 C ATOM 896 O LEU C 59 3.419 2.372 13.518 1.00 7.31 O ATOM 897 CB LEU C 59 3.989 5.024 11.589 1.00 8.50 C ATOM 898 CG LEU C 59 3.374 4.143 10.483 1.00 7.12 C ATOM 899 CD1 LEU C 59 3.338 4.937 9.170 1.00 8.48 C ATOM 900 CD2 LEU C 59 4.164 2.862 10.286 1.00 5.61 C ATOM 901 N SER C 60 5.430 3.329 13.806 1.00 8.84 N ATOM 902 CA SER C 60 6.062 2.097 14.238 1.00 9.16 C ATOM 903 C SER C 60 5.406 1.599 15.537 1.00 8.58 C ATOM 904 O SER C 60 5.298 0.392 15.756 1.00 8.59 O ATOM 905 CB SER C 60 7.575 2.315 14.428 1.00 9.28 C ATOM 906 OG SER C 60 7.880 3.120 15.566 1.00 9.83 O ATOM 907 N ARG C 61 4.961 2.509 16.402 1.00 8.63 N ATOM 908 CA ARG C 61 4.311 2.062 17.636 1.00 8.08 C ATOM 909 C ARG C 61 3.026 1.323 17.282 1.00 8.43 C ATOM 910 O ARG C 61 2.678 0.328 17.920 1.00 8.82 O ATOM 911 CB ARG C 61 3.984 3.231 18.561 1.00 9.18 C ATOM 912 CG ARG C 61 3.413 2.781 19.914 1.00 8.79 C ATOM 913 CD ARG C 61 4.399 1.874 20.656 1.00 9.92 C ATOM 914 NE ARG C 61 3.873 1.201 21.853 1.00 8.43 N ATOM 915 CZ ARG C 61 3.348 -0.022 21.863 1.00 9.08 C ATOM 916 NH1 ARG C 61 3.260 -0.729 20.741 1.00 8.52 N ATOM 917 NH2 ARG C 61 2.962 -0.569 23.010 1.00 7.55 N ATOM 918 N ALA C 62 2.321 1.818 16.262 1.00 7.20 N ATOM 919 CA ALA C 62 1.086 1.187 15.794 1.00 7.19 C ATOM 920 C ALA C 62 1.404 -0.187 15.209 1.00 7.46 C ATOM 921 O ALA C 62 0.632 -1.138 15.361 1.00 6.68 O ATOM 922 CB ALA C 62 0.415 2.069 14.743 1.00 7.48 C ATOM 923 N LEU C 63 2.544 -0.301 14.529 1.00 7.60 N ATOM 924 CA LEU C 63 2.934 -1.583 13.961 1.00 6.61 C ATOM 925 C LEU C 63 3.232 -2.545 15.106 1.00 7.16 C ATOM 926 O LEU C 63 2.899 -3.727 15.039 1.00 7.33 O ATOM 927 CB LEU C 63 4.175 -1.426 13.076 1.00 7.16 C ATOM 928 CG LEU C 63 3.931 -0.766 11.711 1.00 7.30 C ATOM 929 CD1 LEU C 63 5.260 -0.639 10.951 1.00 8.28 C ATOM 930 CD2 LEU C 63 2.904 -1.576 10.923 1.00 6.98 C ATOM 931 N ARG C 64 3.853 -2.034 16.162 1.00 7.76 N ATOM 932 CA ARG C 64 4.197 -2.873 17.304 1.00 9.75 C ATOM 933 C ARG C 64 2.961 -3.443 17.983 1.00 10.09 C ATOM 934 O ARG C 64 3.001 -4.522 18.564 1.00 11.06 O ATOM 935 CB ARG C 64 5.049 -2.078 18.291 1.00 11.13 C ATOM 936 CG ARG C 64 6.497 -1.940 17.821 1.00 13.94 C ATOM 937 CD ARG C 64 7.447 -1.607 18.953 1.00 13.57 C ATOM 938 NE ARG C 64 7.285 -0.230 19.398 1.00 16.02 N ATOM 939 CZ ARG C 64 7.698 0.837 18.718 1.00 14.50 C ATOM 940 NH1 ARG C 64 8.310 0.700 17.548 1.00 15.49 N ATOM 941 NH2 ARG C 64 7.514 2.051 19.219 1.00 17.42 N ATOM 942 N TYR C 65 1.852 -2.726 17.888 1.00 10.27 N ATOM 943 CA TYR C 65 0.602 -3.202 18.471 1.00 10.38 C ATOM 944 C TYR C 65 0.064 -4.378 17.654 1.00 10.36 C ATOM 945 O TYR C 65 -0.732 -5.179 18.144 1.00 11.51 O ATOM 946 CB TYR C 65 -0.419 -2.064 18.515 1.00 8.91 C ATOM 947 CG TYR C 65 -0.399 -1.299 19.817 1.00 7.96 C ATOM 948 CD1 TYR C 65 -0.455 -1.972 21.044 1.00 8.67 C ATOM 949 CD2 TYR C 65 -0.301 0.086 19.826 1.00 7.43 C ATOM 950 CE1 TYR C 65 -0.407 -1.271 22.260 1.00 8.27 C ATOM 951 CE2 TYR C 65 -0.255 0.796 21.020 1.00 8.64 C ATOM 952 CZ TYR C 65 -0.307 0.113 22.240 1.00 7.47 C ATOM 953 OH TYR C 65 -0.254 0.825 23.418 1.00 7.88 O ATOM 954 N TYR C 66 0.508 -4.485 16.405 1.00 9.19 N ATOM 955 CA TYR C 66 0.065 -5.565 15.534 1.00 8.52 C ATOM 956 C TYR C 66 0.768 -6.874 15.891 1.00 8.33 C ATOM 957 O TYR C 66 0.320 -7.946 15.492 1.00 7.53 O ATOM 958 CB TYR C 66 0.346 -5.219 14.059 1.00 7.48 C ATOM 959 CG TYR C 66 -0.596 -4.213 13.406 1.00 7.02 C ATOM 960 CD1 TYR C 66 -1.929 -4.090 13.806 1.00 8.57 C ATOM 961 CD2 TYR C 66 -0.153 -3.416 12.359 1.00 6.76 C ATOM 962 CE1 TYR C 66 -2.792 -3.197 13.168 1.00 7.43 C ATOM 963 CE2 TYR C 66 -0.999 -2.523 11.715 1.00 8.37 C ATOM 964 CZ TYR C 66 -2.318 -2.417 12.119 1.00 7.99 C ATOM 965 OH TYR C 66 -3.148 -1.550 11.441 1.00 7.10 O ATOM 966 N TYR C 67 1.871 -6.792 16.632 1.00 8.83 N ATOM 967 CA TYR C 67 2.606 -7.999 17.015 1.00 10.40 C ATOM 968 C TYR C 67 1.705 -8.898 17.852 1.00 11.72 C ATOM 969 O TYR C 67 1.666 -10.115 17.673 1.00 11.71 O ATOM 970 CB TYR C 67 3.852 -7.660 17.851 1.00 9.37 C ATOM 971 CG TYR C 67 4.928 -6.836 17.162 1.00 10.05 C ATOM 972 CD1 TYR C 67 4.873 -6.555 15.794 1.00 9.16 C ATOM 973 CD2 TYR C 67 5.986 -6.308 17.896 1.00 8.84 C ATOM 974 CE1 TYR C 67 5.843 -5.765 15.185 1.00 9.08 C ATOM 975 CE2 TYR C 67 6.966 -5.514 17.293 1.00 8.30 C ATOM 976 CZ TYR C 67 6.888 -5.245 15.942 1.00 9.60 C ATOM 977 OH TYR C 67 7.853 -4.458 15.358 1.00 9.17 O ATOM 978 N VAL C 68 1.000 -8.272 18.785 1.00 13.15 N ATOM 979 CA VAL C 68 0.084 -8.964 19.684 1.00 14.69 C ATOM 980 C VAL C 68 -1.109 -9.530 18.910 1.00 14.89 C ATOM 981 O VAL C 68 -1.571 -10.649 19.168 1.00 15.85 O ATOM 982 CB VAL C 68 -0.453 -7.989 20.750 1.00 15.58 C ATOM 983 CG1 VAL C 68 -1.250 -8.751 21.789 1.00 17.01 C ATOM 984 CG2 VAL C 68 0.703 -7.236 21.400 1.00 15.02 C ATOM 985 N LYS C 69 -1.598 -8.736 17.962 1.00 15.36 N ATOM 986 CA LYS C 69 -2.733 -9.109 17.137 1.00 14.63 C ATOM 987 C LYS C 69 -2.364 -10.141 16.087 1.00 14.51 C ATOM 988 O LYS C 69 -3.232 -10.741 15.458 1.00 14.53 O ATOM 989 CB LYS C 69 -3.303 -7.861 16.469 1.00 15.89 C ATOM 990 CG LYS C 69 -4.383 -7.180 17.295 1.00 17.72 C ATOM 991 CD LYS C 69 -4.267 -5.679 17.232 1.00 19.32 C ATOM 992 CE LYS C 69 -5.512 -5.060 16.616 1.00 21.50 C ATOM 993 NZ LYS C 69 -5.363 -3.586 16.437 1.00 22.25 N ATOM 994 N ASN C 70 -1.071 -10.350 15.899 1.00 14.12 N ATOM 995 CA ASN C 70 -0.596 -11.309 14.916 1.00 15.18 C ATOM 996 C ASN C 70 -0.943 -10.912 13.490 1.00 14.76 C ATOM 997 O ASN C 70 -1.236 -11.763 12.661 1.00 14.35 O ATOM 998 CB ASN C 70 -1.167 -12.691 15.206 1.00 17.62 C ATOM 999 CG ASN C 70 -0.164 -13.582 15.876 1.00 21.38 C ATOM 1000 OD1 ASN C 70 0.662 -14.215 15.208 1.00 24.45 O ATOM 1001 ND2 ASN C 70 -0.205 -13.628 17.213 1.00 21.93 N ATOM 1002 N ILE C 71 -0.916 -9.615 13.215 1.00 15.04 N ATOM 1003 CA ILE C 71 -1.207 -9.113 11.879 1.00 14.46 C ATOM 1004 C ILE C 71 0.127 -8.886 11.176 1.00 14.30 C ATOM 1005 O ILE C 71 0.306 -9.250 10.014 1.00 14.38 O ATOM 1006 CB ILE C 71 -1.983 -7.774 11.939 1.00 14.25 C ATOM 1007 CG1 ILE C 71 -3.458 -8.040 12.256 1.00 13.44 C ATOM 1008 CG2 ILE C 71 -1.847 -7.023 10.608 1.00 13.90 C ATOM 1009 CD1 ILE C 71 -4.281 -6.775 12.394 1.00 13.78 C ATOM 1010 N ILE C 72 1.058 -8.290 11.912 1.00 13.62 N ATOM 1011 CA ILE C 72 2.390 -7.989 11.409 1.00 13.17 C ATOM 1012 C ILE C 72 3.421 -8.258 12.508 1.00 13.95 C ATOM 1013 O ILE C 72 3.170 -8.020 13.692 1.00 13.85 O ATOM 1014 CB ILE C 72 2.511 -6.490 10.968 1.00 11.77 C ATOM 1015 CG1 ILE C 72 1.923 -6.295 9.572 1.00 11.57 C ATOM 1016 CG2 ILE C 72 3.973 -6.060 10.918 1.00 11.60 C ATOM 1017 CD1 ILE C 72 1.499 -4.868 9.273 1.00 7.49 C ATOM 1018 N LYS C 73 4.574 -8.777 12.103 1.00 13.63 N ATOM 1019 CA LYS C 73 5.657 -9.043 13.026 1.00 14.30 C ATOM 1020 C LYS C 73 6.886 -8.323 12.487 1.00 14.22 C ATOM 1021 O LYS C 73 6.925 -7.929 11.320 1.00 13.58 O ATOM 1022 CB LYS C 73 5.907 -10.554 13.157 1.00 14.69 C ATOM 1023 CG LYS C 73 6.799 -11.161 12.100 1.00 18.04 C ATOM 1024 CD LYS C 73 6.543 -12.654 11.957 1.00 19.63 C ATOM 1025 CE LYS C 73 7.783 -13.484 12.288 1.00 21.78 C ATOM 1026 NZ LYS C 73 9.058 -12.710 12.167 1.00 22.69 N ATOM 1027 N LYS C 74 7.876 -8.120 13.343 1.00 14.42 N ATOM 1028 CA LYS C 74 9.099 -7.454 12.934 1.00 14.67 C ATOM 1029 C LYS C 74 10.081 -8.490 12.388 1.00 15.80 C ATOM 1030 O LYS C 74 10.115 -9.625 12.870 1.00 15.92 O ATOM 1031 CB LYS C 74 9.717 -6.723 14.138 1.00 12.80 C ATOM 1032 CG LYS C 74 10.999 -5.970 13.837 1.00 11.08 C ATOM 1033 CD LYS C 74 10.708 -4.644 13.174 1.00 10.42 C ATOM 1034 CE LYS C 74 11.992 -3.892 12.857 1.00 9.87 C ATOM 1035 NZ LYS C 74 12.762 -4.522 11.754 1.00 11.20 N ATOM 1036 N VAL C 75 10.838 -8.128 11.350 1.00 16.68 N ATOM 1037 CA VAL C 75 11.859 -9.038 10.829 1.00 17.58 C ATOM 1038 C VAL C 75 13.081 -8.613 11.652 1.00 18.13 C ATOM 1039 O VAL C 75 13.637 -7.535 11.449 1.00 17.55 O ATOM 1040 CB VAL C 75 12.115 -8.835 9.311 1.00 17.50 C ATOM 1041 CG1 VAL C 75 13.440 -9.470 8.913 1.00 16.62 C ATOM 1042 CG2 VAL C 75 10.989 -9.468 8.508 1.00 16.79 C ATOM 1043 N ASN C 76 13.467 -9.452 12.608 1.00 19.79 N ATOM 1044 CA ASN C 76 14.576 -9.143 13.503 1.00 21.98 C ATOM 1045 C ASN C 76 15.916 -8.827 12.830 1.00 22.65 C ATOM 1046 O ASN C 76 16.351 -9.525 11.908 1.00 23.63 O ATOM 1047 CB ASN C 76 14.762 -10.287 14.515 1.00 23.73 C ATOM 1048 CG ASN C 76 13.601 -10.394 15.524 1.00 25.34 C ATOM 1049 OD1 ASN C 76 12.887 -9.420 15.791 1.00 25.89 O ATOM 1050 ND2 ASN C 76 13.423 -11.583 16.088 1.00 25.50 N ATOM 1051 N GLY C 77 16.560 -7.762 13.306 1.00 23.02 N ATOM 1052 CA GLY C 77 17.860 -7.362 12.789 1.00 23.18 C ATOM 1053 C GLY C 77 17.910 -6.851 11.361 1.00 22.80 C ATOM 1054 O GLY C 77 18.944 -6.946 10.703 1.00 23.63 O ATOM 1055 N GLN C 78 16.796 -6.310 10.882 1.00 22.12 N ATOM 1056 CA GLN C 78 16.718 -5.771 9.526 1.00 21.12 C ATOM 1057 C GLN C 78 15.926 -4.480 9.563 1.00 19.71 C ATOM 1058 O GLN C 78 14.704 -4.496 9.476 1.00 19.91 O ATOM 1059 CB GLN C 78 16.040 -6.773 8.594 1.00 20.85 C ATOM 1060 CG GLN C 78 16.786 -8.088 8.496 1.00 23.29 C ATOM 1061 CD GLN C 78 16.579 -8.786 7.179 1.00 23.32 C ATOM 1062 OE1 GLN C 78 16.364 -9.998 7.137 1.00 24.32 O ATOM 1063 NE2 GLN C 78 16.637 -8.028 6.088 1.00 24.06 N ATOM 1064 N LYS C 79 16.639 -3.367 9.695 1.00 19.31 N ATOM 1065 CA LYS C 79 16.029 -2.045 9.769 1.00 19.08 C ATOM 1066 C LYS C 79 14.916 -1.814 8.754 1.00 17.55 C ATOM 1067 O LYS C 79 15.066 -2.109 7.569 1.00 16.61 O ATOM 1068 CB LYS C 79 17.098 -0.956 9.608 1.00 21.75 C ATOM 1069 CG LYS C 79 17.665 -0.435 10.923 1.00 25.31 C ATOM 1070 CD LYS C 79 19.090 0.084 10.738 1.00 27.64 C ATOM 1071 CE LYS C 79 19.213 1.549 11.143 1.00 29.74 C ATOM 1072 NZ LYS C 79 20.550 2.135 10.805 1.00 30.60 N ATOM 1073 N PHE C 80 13.795 -1.295 9.254 1.00 16.54 N ATOM 1074 CA PHE C 80 12.615 -0.972 8.454 1.00 14.66 C ATOM 1075 C PHE C 80 11.898 -2.143 7.774 1.00 13.79 C ATOM 1076 O PHE C 80 10.962 -1.936 6.998 1.00 13.22 O ATOM 1077 CB PHE C 80 13.002 0.096 7.425 1.00 13.47 C ATOM 1078 CG PHE C 80 13.634 1.313 8.038 1.00 12.85 C ATOM 1079 CD1 PHE C 80 12.906 2.129 8.898 1.00 12.11 C ATOM 1080 CD2 PHE C 80 14.958 1.639 7.770 1.00 13.01 C ATOM 1081 CE1 PHE C 80 13.480 3.248 9.480 1.00 11.95 C ATOM 1082 CE2 PHE C 80 15.550 2.764 8.351 1.00 13.46 C ATOM 1083 CZ PHE C 80 14.806 3.570 9.209 1.00 12.93 C ATOM 1084 N VAL C 81 12.325 -3.367 8.079 1.00 12.95 N ATOM 1085 CA VAL C 81 11.723 -4.553 7.489 1.00 12.76 C ATOM 1086 C VAL C 81 10.730 -5.217 8.435 1.00 12.86 C ATOM 1087 O VAL C 81 11.028 -5.455 9.611 1.00 12.04 O ATOM 1088 CB VAL C 81 12.786 -5.589 7.095 1.00 13.13 C ATOM 1089 CG1 VAL C 81 12.113 -6.789 6.438 1.00 12.76 C ATOM 1090 CG2 VAL C 81 13.815 -4.954 6.150 1.00 12.86 C ATOM 1091 N TYR C 82 9.552 -5.515 7.899 1.00 12.32 N ATOM 1092 CA TYR C 82 8.475 -6.140 8.649 1.00 11.73 C ATOM 1093 C TYR C 82 7.896 -7.264 7.810 1.00 12.75 C ATOM 1094 O TYR C 82 8.253 -7.438 6.647 1.00 11.53 O ATOM 1095 CB TYR C 82 7.366 -5.126 8.944 1.00 10.72 C ATOM 1096 CG TYR C 82 7.735 -4.052 9.941 1.00 10.37 C ATOM 1097 CD1 TYR C 82 8.380 -2.886 9.530 1.00 8.83 C ATOM 1098 CD2 TYR C 82 7.423 -4.198 11.306 1.00 9.50 C ATOM 1099 CE1 TYR C 82 8.706 -1.888 10.445 1.00 10.03 C ATOM 1100 CE2 TYR C 82 7.744 -3.202 12.231 1.00 8.39 C ATOM 1101 CZ TYR C 82 8.382 -2.053 11.798 1.00 9.03 C ATOM 1102 OH TYR C 82 8.690 -1.054 12.698 1.00 7.61 O ATOM 1103 N LYS C 83 6.977 -8.016 8.397 1.00 12.52 N ATOM 1104 CA LYS C 83 6.372 -9.119 7.685 1.00 13.39 C ATOM 1105 C LYS C 83 4.920 -9.292 8.044 1.00 14.28 C ATOM 1106 O LYS C 83 4.553 -9.245 9.214 1.00 14.32 O ATOM 1107 CB LYS C 83 7.110 -10.419 7.991 1.00 12.92 C ATOM 1108 CG LYS C 83 6.695 -11.549 7.081 1.00 13.81 C ATOM 1109 CD LYS C 83 7.118 -12.889 7.619 1.00 14.96 C ATOM 1110 CE LYS C 83 6.438 -14.009 6.856 1.00 15.12 C ATOM 1111 NZ LYS C 83 7.292 -15.222 6.868 1.00 17.44 N ATOM 1112 N PHE C 84 4.089 -9.482 7.030 1.00 14.91 N ATOM 1113 CA PHE C 84 2.678 -9.712 7.264 1.00 15.58 C ATOM 1114 C PHE C 84 2.607 -11.164 7.727 1.00 16.64 C ATOM 1115 O PHE C 84 3.049 -12.067 7.017 1.00 16.37 O ATOM 1116 CB PHE C 84 1.889 -9.516 5.971 1.00 14.77 C ATOM 1117 CG PHE C 84 1.273 -8.150 5.841 1.00 14.94 C ATOM 1118 CD1 PHE C 84 0.003 -7.896 6.348 1.00 14.24 C ATOM 1119 CD2 PHE C 84 1.971 -7.113 5.231 1.00 14.57 C ATOM 1120 CE1 PHE C 84 -0.561 -6.633 6.255 1.00 14.52 C ATOM 1121 CE2 PHE C 84 1.413 -5.836 5.131 1.00 15.10 C ATOM 1122 CZ PHE C 84 0.143 -5.596 5.646 1.00 14.93 C ATOM 1123 N VAL C 85 2.071 -11.388 8.925 1.00 17.82 N ATOM 1124 CA VAL C 85 1.985 -12.740 9.467 1.00 18.88 C ATOM 1125 C VAL C 85 1.360 -13.705 8.479 1.00 20.66 C ATOM 1126 O VAL C 85 1.939 -14.754 8.183 1.00 21.86 O ATOM 1127 CB VAL C 85 1.193 -12.770 10.792 1.00 17.64 C ATOM 1128 CG1 VAL C 85 0.860 -14.207 11.178 1.00 15.48 C ATOM 1129 CG2 VAL C 85 2.012 -12.108 11.885 1.00 16.17 C ATOM 1130 N SER C 86 0.183 -13.359 7.967 1.00 21.72 N ATOM 1131 CA SER C 86 -0.487 -14.222 7.002 1.00 22.54 C ATOM 1132 C SER C 86 -1.010 -13.449 5.796 1.00 22.73 C ATOM 1133 O SER C 86 -2.179 -13.051 5.728 1.00 22.37 O ATOM 1134 CB SER C 86 -1.621 -15.004 7.671 1.00 23.48 C ATOM 1135 OG SER C 86 -1.194 -16.318 7.995 1.00 24.33 O ATOM 1136 N TYR C 87 -0.102 -13.221 4.855 1.00 22.08 N ATOM 1137 CA TYR C 87 -0.418 -12.532 3.617 1.00 22.03 C ATOM 1138 C TYR C 87 -0.442 -13.663 2.600 1.00 21.40 C ATOM 1139 O TYR C 87 0.460 -14.490 2.588 1.00 22.45 O ATOM 1140 CB TYR C 87 0.692 -11.536 3.274 1.00 22.30 C ATOM 1141 CG TYR C 87 0.540 -10.897 1.918 1.00 22.10 C ATOM 1142 CD1 TYR C 87 -0.411 -9.899 1.702 1.00 23.20 C ATOM 1143 CD2 TYR C 87 1.334 -11.298 0.842 1.00 22.66 C ATOM 1144 CE1 TYR C 87 -0.571 -9.313 0.441 1.00 23.46 C ATOM 1145 CE2 TYR C 87 1.184 -10.719 -0.423 1.00 23.75 C ATOM 1146 CZ TYR C 87 0.230 -9.729 -0.612 1.00 23.35 C ATOM 1147 OH TYR C 87 0.085 -9.144 -1.850 1.00 25.66 O ATOM 1148 N PRO C 88 -1.474 -13.726 1.743 1.00 20.96 N ATOM 1149 CA PRO C 88 -2.643 -12.851 1.604 1.00 20.08 C ATOM 1150 C PRO C 88 -3.914 -13.295 2.337 1.00 19.87 C ATOM 1151 O PRO C 88 -5.005 -12.823 2.027 1.00 20.52 O ATOM 1152 CB PRO C 88 -2.861 -12.823 0.100 1.00 20.27 C ATOM 1153 CG PRO C 88 -2.404 -14.204 -0.351 1.00 20.22 C ATOM 1154 CD PRO C 88 -1.485 -14.777 0.711 1.00 20.61 C ATOM 1155 N GLU C 89 -3.787 -14.208 3.290 1.00 19.86 N ATOM 1156 CA GLU C 89 -4.942 -14.690 4.047 1.00 20.05 C ATOM 1157 C GLU C 89 -5.803 -13.534 4.586 1.00 20.66 C ATOM 1158 O GLU C 89 -7.038 -13.619 4.636 1.00 19.63 O ATOM 1159 CB GLU C 89 -4.461 -15.544 5.222 1.00 19.55 C ATOM 1160 CG GLU C 89 -5.370 -16.698 5.581 1.00 19.44 C ATOM 1161 CD GLU C 89 -6.016 -17.329 4.372 1.00 19.27 C ATOM 1162 OE1 GLU C 89 -5.384 -18.206 3.738 1.00 18.84 O ATOM 1163 OE2 GLU C 89 -7.161 -16.942 4.062 1.00 19.27 O ATOM 1164 N ILE C 90 -5.140 -12.452 4.982 1.00 21.14 N ATOM 1165 CA ILE C 90 -5.826 -11.287 5.531 1.00 22.72 C ATOM 1166 C ILE C 90 -6.670 -10.532 4.491 1.00 23.33 C ATOM 1167 O ILE C 90 -7.395 -9.588 4.829 1.00 23.89 O ATOM 1168 CB ILE C 90 -4.789 -10.321 6.186 1.00 22.93 C ATOM 1169 CG1 ILE C 90 -5.513 -9.233 6.986 1.00 23.11 C ATOM 1170 CG2 ILE C 90 -3.858 -9.732 5.115 1.00 21.50 C ATOM 1171 CD1 ILE C 90 -4.581 -8.428 7.882 1.00 23.60 C ATOM 1172 N LEU C 91 -6.577 -10.948 3.228 1.00 24.25 N ATOM 1173 CA LEU C 91 -7.338 -10.295 2.160 1.00 25.74 C ATOM 1174 C LEU C 91 -8.600 -11.055 1.730 1.00 26.58 C ATOM 1175 O LEU C 91 -9.434 -10.527 1.002 1.00 26.60 O ATOM 1176 CB LEU C 91 -6.419 -10.001 0.962 1.00 25.03 C ATOM 1177 CG LEU C 91 -5.510 -8.784 1.143 1.00 26.09 C ATOM 1178 CD1 LEU C 91 -5.070 -8.271 -0.222 1.00 26.13 C ATOM 1179 CD2 LEU C 91 -6.242 -7.693 1.904 1.00 25.12 C ATOM 1180 N ASN C 92 -8.733 -12.301 2.167 1.00 28.46 N ATOM 1181 CA ASN C 92 -9.945 -13.070 1.889 1.00 30.65 C ATOM 1182 C ASN C 92 -10.546 -13.404 3.247 1.00 33.17 C ATOM 1183 O ASN C 92 -10.434 -14.541 3.724 1.00 33.49 O ATOM 1184 CB ASN C 92 -9.672 -14.381 1.159 1.00 30.54 C ATOM 1185 CG ASN C 92 -8.447 -14.328 0.317 1.00 31.12 C ATOM 1186 OD1 ASN C 92 -8.522 -14.377 -0.909 1.00 30.94 O ATOM 1187 ND2 ASN C 92 -7.290 -14.226 0.967 1.00 31.19 N ATOM 1188 N MET C 93 -11.152 -12.402 3.878 1.00 34.91 N ATOM 1189 CA MET C 93 -11.779 -12.611 5.167 1.00 35.90 C ATOM 1190 C MET C 93 -13.050 -13.403 4.882 1.00 36.50 C ATOM 1191 O MET C 93 -13.476 -14.188 5.762 1.00 36.90 O ATOM 1192 CB MET C 93 -12.110 -11.265 5.802 1.00 36.07 C ATOM 1193 CG MET C 93 -11.129 -10.895 6.912 1.00 37.16 C ATOM 1194 SD MET C 93 -10.619 -9.145 6.971 1.00 39.69 S ATOM 1195 CE MET C 93 -9.062 -9.270 7.750 1.00 37.29 C ATOM 1196 OXT MET C 93 -13.574 -13.244 3.754 1.00 36.38 O TER 1197 MET C 93 HETATM 1198 ZN ZN 1 -8.319 -18.103 2.886 1.00 15.69 ZN HETATM 1199 ZN ZN 2 12.870 8.232 24.146 1.00 26.33 ZN HETATM 1200 O HOH 3 13.379 -9.074 3.257 1.00 48.86 O HETATM 1201 O HOH 4 17.885 -5.923 5.663 1.00 23.42 O HETATM 1202 O HOH 5 17.209 -2.844 6.112 1.00 27.49 O HETATM 1203 O HOH 6 20.127 -0.971 7.422 1.00 20.39 O HETATM 1204 O HOH 7 19.547 -3.636 9.249 1.00 19.47 O HETATM 1205 O HOH 8 -9.278 -3.873 12.531 1.00 22.08 O HETATM 1206 O HOH 9 -6.054 -3.575 12.922 1.00 20.44 O HETATM 1207 O HOH 10 -7.885 -7.604 15.173 1.00 30.12 O HETATM 1208 O HOH 11 -6.500 -2.753 19.496 1.00 15.15 O HETATM 1209 O HOH 12 -3.854 -2.388 19.880 1.00 18.78 O HETATM 1210 O HOH 13 -3.790 -1.923 17.463 1.00 13.03 O HETATM 1211 O HOH 14 -2.026 -0.617 15.665 1.00 10.30 O HETATM 1212 O HOH 15 -2.384 -4.715 20.146 1.00 10.46 O HETATM 1213 O HOH 16 -2.139 -4.781 23.192 1.00 19.39 O HETATM 1214 O HOH 17 2.688 -3.470 21.765 1.00 18.69 O HETATM 1215 O HOH 18 0.012 -0.087 25.833 1.00 21.85 O HETATM 1216 O HOH 19 -3.779 2.060 27.272 1.00 2.00 O HETATM 1217 O HOH 20 -4.182 3.536 31.329 1.00 12.57 O HETATM 1218 O HOH 21 -2.030 1.708 34.158 1.00 19.76 O HETATM 1219 O HOH 22 8.430 4.164 -7.002 1.00 8.77 O HETATM 1220 O HOH 23 -7.263 9.583 33.539 1.00 29.52 O HETATM 1221 O HOH 24 -7.793 6.387 29.739 1.00 27.14 O HETATM 1222 O HOH 25 -9.006 4.494 26.763 1.00 26.07 O HETATM 1223 O HOH 26 19.360 7.516 22.897 1.00 19.18 O HETATM 1224 O HOH 27 -6.667 7.348 17.580 1.00 13.20 O HETATM 1225 O HOH 28 -4.717 10.722 19.158 1.00 30.06 O HETATM 1226 O HOH 29 -3.967 13.263 17.705 1.00 25.97 O HETATM 1227 O HOH 30 -1.825 15.769 20.641 1.00 20.02 O HETATM 1228 O HOH 31 0.424 15.870 17.776 1.00 30.46 O HETATM 1229 O HOH 32 2.720 14.979 18.192 1.00 24.77 O HETATM 1230 O HOH 33 3.383 14.225 9.282 1.00 9.55 O HETATM 1231 O HOH 34 1.015 14.139 7.405 1.00 10.78 O HETATM 1232 O HOH 35 -5.483 -13.870 -2.575 1.00 11.38 O HETATM 1233 O HOH 36 -5.606 -13.953 -0.265 1.00 16.05 O HETATM 1234 O HOH 37 -4.550 -16.308 -1.822 1.00 10.94 O HETATM 1235 O HOH 38 -4.944 -16.921 0.633 1.00 19.48 O HETATM 1236 O HOH 39 -2.727 -17.831 2.206 1.00 14.93 O HETATM 1237 O HOH 40 6.863 7.706 -7.748 1.00 17.41 O HETATM 1238 O HOH 41 -10.014 -17.138 2.857 1.00 14.59 O HETATM 1239 O HOH 42 -11.276 -11.619 -2.396 1.00 27.63 O HETATM 1240 O HOH 43 -8.189 -10.764 -3.411 1.00 22.89 O HETATM 1241 O HOH 44 12.313 12.906 6.183 1.00 27.07 O HETATM 1242 O HOH 45 12.889 7.986 6.738 1.00 18.75 O HETATM 1243 O HOH 46 13.484 4.776 5.829 1.00 15.99 O HETATM 1244 O HOH 47 15.527 9.205 8.859 1.00 39.43 O HETATM 1245 O HOH 48 14.477 9.809 12.041 1.00 34.73 O HETATM 1246 O HOH 49 9.941 9.500 13.550 1.00 7.66 O HETATM 1247 O HOH 50 11.216 5.269 14.800 1.00 30.33 O HETATM 1248 O HOH 51 13.068 5.710 16.139 1.00 22.93 O HETATM 1249 O HOH 52 12.870 6.418 18.713 1.00 18.61 O HETATM 1250 O HOH 53 16.109 7.158 20.592 1.00 34.83 O HETATM 1251 O HOH 54 13.497 9.788 22.847 1.00 35.42 O HETATM 1252 O HOH 55 1.990 -12.613 19.250 1.00 26.67 O HETATM 1253 O HOH 56 6.262 -9.287 16.028 1.00 41.21 O HETATM 1254 O HOH 57 8.365 -8.310 20.088 1.00 15.96 O HETATM 1255 O HOH 58 4.189 -5.088 21.008 1.00 17.58 O HETATM 1256 O HOH 59 6.180 -10.522 24.664 1.00 28.40 O HETATM 1257 O HOH 60 18.129 13.454 14.823 1.00 23.77 O HETATM 1258 O HOH 61 -9.708 10.635 16.305 1.00 34.70 O HETATM 1259 O HOH 62 -7.871 4.341 15.399 1.00 12.56 O HETATM 1260 O HOH 63 -6.931 3.498 11.850 1.00 18.53 O HETATM 1261 O HOH 64 18.597 4.867 10.375 1.00 25.57 O HETATM 1262 O HOH 65 -12.480 5.750 3.557 1.00 23.56 O HETATM 1263 O HOH 66 -10.583 13.732 6.312 1.00 36.90 O HETATM 1264 O HOH 67 7.228 11.451 8.758 1.00 19.80 O HETATM 1265 O HOH 68 -2.253 9.110 10.742 1.00 10.27 O HETATM 1266 O HOH 69 0.379 5.794 15.738 1.00 16.33 O HETATM 1267 O HOH 70 5.655 5.872 19.345 1.00 11.56 O HETATM 1268 O HOH 71 9.743 3.882 18.463 1.00 9.48 O HETATM 1269 O HOH 72 11.098 1.122 15.107 1.00 7.24 O HETATM 1270 O HOH 73 9.096 -0.982 15.460 1.00 4.41 O HETATM 1271 O HOH 74 9.513 -7.765 17.970 1.00 15.12 O HETATM 1272 O HOH 75 8.428 -8.872 16.199 1.00 21.07 O HETATM 1273 O HOH 76 9.022 17.022 27.006 1.00 14.84 O HETATM 1274 O HOH 77 13.154 -6.908 16.674 1.00 8.41 O HETATM 1275 O HOH 78 15.263 -5.902 14.948 1.00 25.50 O HETATM 1276 O HOH 79 13.525 -8.670 20.288 1.00 32.94 O HETATM 1277 O HOH 80 9.413 10.924 23.743 1.00 29.22 O HETATM 1278 O HOH 81 12.505 11.357 27.184 1.00 46.92 O HETATM 1279 O HOH 82 14.659 9.548 25.447 1.00 33.65 O HETATM 1280 O HOH 83 16.156 6.560 26.149 1.00 15.70 O HETATM 1281 O HOH 84 -8.382 8.838 28.652 1.00 28.87 O HETATM 1282 O HOH 85 -1.744 -16.725 10.692 1.00 31.86 O HETATM 1283 O HOH 86 -1.522 -16.334 4.190 1.00 17.68 O HETATM 1284 O HOH 87 3.714 8.310 -4.655 1.00 18.37 O HETATM 1285 O HOH 88 -0.332 5.189 -4.451 1.00 36.99 O HETATM 1286 O HOH 89 5.556 -17.349 5.418 1.00 35.57 O HETATM 1287 O HOH 90 9.517 12.777 32.170 1.00 36.80 O HETATM 1288 O HOH 91 3.109 -11.077 15.290 1.00 27.55 O HETATM 1289 O HOH 92 5.813 -8.236 25.969 1.00 17.19 O HETATM 1290 O HOH 93 3.980 -8.424 27.915 1.00 45.26 O HETATM 1291 O HOH 94 -16.325 15.816 12.838 1.00 37.80 O HETATM 1292 O HOH 95 3.003 -4.890 32.601 1.00 33.05 O HETATM 1293 O HOH 96 9.725 -4.030 -8.587 1.00 37.10 O HETATM 1294 O HOH 97 14.196 4.993 -2.118 1.00 18.41 O HETATM 1295 O HOH 98 9.400 8.568 35.268 1.00 53.84 O HETATM 1296 O HOH 99 10.971 2.032 31.701 1.00 28.16 O HETATM 1297 O HOH 100 5.954 2.959 30.728 1.00 22.71 O HETATM 1298 O HOH 101 4.201 8.892 28.546 1.00 37.32 O HETATM 1299 O HOH 102 1.427 8.064 29.137 1.00 20.32 O HETATM 1300 O HOH 103 0.069 10.278 28.671 1.00 26.96 O HETATM 1301 O HOH 104 12.901 -12.258 12.578 1.00 21.05 O HETATM 1302 O HOH 105 -3.438 -11.800 9.184 1.00 26.75 O HETATM 1303 O HOH 106 -4.329 -11.347 19.703 1.00 29.29 O HETATM 1304 O HOH 107 11.731 7.616 14.957 1.00 35.32 O HETATM 1305 O HOH 108 11.193 3.384 15.931 1.00 24.01 O HETATM 1306 O HOH 109 17.752 -1.488 16.332 1.00 16.28 O HETATM 1307 O HOH 110 18.300 -2.617 13.629 1.00 36.31 O HETATM 1308 O HOH 111 15.413 -4.345 12.751 1.00 16.66 O HETATM 1309 O HOH 112 15.384 -2.693 21.288 1.00 15.66 O HETATM 1310 O HOH 113 13.862 -2.993 25.084 1.00 22.26 O HETATM 1311 O HOH 114 -6.955 -0.760 22.674 1.00 11.33 O HETATM 1312 O HOH 115 16.975 6.559 9.588 1.00 22.37 O HETATM 1313 O HOH 116 -12.354 3.244 3.826 1.00 27.34 O HETATM 1314 O HOH 117 -10.330 0.950 1.379 1.00 40.89 O HETATM 1315 O HOH 118 -9.380 -2.784 0.235 1.00 35.41 O HETATM 1316 O HOH 119 -0.533 -5.385 -1.801 1.00 27.14 O HETATM 1317 O HOH 120 1.050 -6.028 -3.872 1.00 22.21 O HETATM 1318 O HOH 121 2.846 -10.037 -3.659 1.00 20.20 O HETATM 1319 O HOH 122 -4.774 15.348 5.709 1.00 21.05 O HETATM 1320 O HOH 123 -3.471 16.121 7.903 1.00 25.27 O HETATM 1321 O HOH 124 4.970 -11.026 -0.642 1.00 19.31 O HETATM 1322 O HOH 125 10.184 -10.157 -3.778 1.00 27.39 O HETATM 1323 O HOH 126 11.462 -14.418 -1.832 1.00 23.66 O HETATM 1324 O HOH 127 7.062 -4.071 -4.220 1.00 13.87 O HETATM 1325 O HOH 128 5.256 -2.369 -4.377 1.00 16.63 O HETATM 1326 O HOH 129 5.147 -0.010 -3.468 1.00 16.67 O HETATM 1327 O HOH 130 3.207 -3.759 -8.095 1.00 25.03 O HETATM 1328 O HOH 131 21.061 -3.230 30.793 1.00 31.30 O HETATM 1329 O HOH 132 19.823 2.765 30.305 1.00 11.63 O HETATM 1330 O HOH 133 -6.399 4.993 27.632 1.00 21.16 O HETATM 1331 O HOH 134 -5.284 2.494 25.502 1.00 25.98 O HETATM 1332 O HOH 135 14.316 6.844 23.216 1.00 20.88 O HETATM 1333 O HOH 136 11.398 7.588 22.429 1.00 16.80 O HETATM 1334 O HOH 137 11.613 9.932 25.264 1.00 18.92 O HETATM 1335 O HOH 138 10.404 2.565 29.530 1.00 35.68 O HETATM 1336 O HOH 139 12.031 -0.283 31.059 1.00 43.63 O HETATM 1337 O HOH 140 -2.444 4.281 -2.781 1.00 40.99 O HETATM 1338 O HOH 141 3.145 -14.270 5.856 1.00 16.39 O HETATM 1339 O HOH 142 -1.289 -10.739 8.287 1.00 15.54 O HETATM 1340 O HOH 143 11.333 11.670 3.863 1.00 19.16 O HETATM 1341 O HOH 144 15.475 -13.570 14.354 1.00 18.27 O HETATM 1342 O HOH 145 2.424 7.060 31.524 1.00 39.18 O HETATM 1343 O HOH 146 0.953 5.800 35.902 1.00 17.56 O HETATM 1344 O HOH 147 -3.357 8.477 35.074 1.00 22.51 O HETATM 1345 O HOH 148 11.543 9.093 4.178 1.00 11.87 O HETATM 1346 O HOH 149 17.742 -5.157 3.056 1.00 30.99 O HETATM 1347 O HOH 150 -12.118 -2.974 6.319 1.00 31.41 O HETATM 1348 O HOH 151 21.166 -5.689 8.683 1.00 34.61 O HETATM 1349 O HOH 152 -4.349 -0.647 22.381 1.00 11.16 O HETATM 1350 O HOH 153 -7.370 0.974 24.524 1.00 18.00 O HETATM 1351 O HOH 154 -9.365 2.262 25.807 1.00 13.32 O HETATM 1352 O HOH 155 21.374 0.314 27.844 1.00 19.80 O HETATM 1353 O HOH 156 -5.784 2.630 28.262 1.00 18.81 O HETATM 1354 O HOH 157 -12.076 5.580 24.546 1.00 23.50 O HETATM 1355 O HOH 158 12.734 -1.437 26.691 1.00 39.94 O HETATM 1356 O HOH 159 10.804 -4.644 30.943 1.00 40.09 O HETATM 1357 O HOH 160 0.872 -5.200 -6.659 1.00 43.14 O HETATM 1358 O HOH 161 4.826 -2.150 -7.022 1.00 32.59 O HETATM 1359 O HOH 162 -5.366 -5.513 25.888 1.00 36.08 O CONECT 345 1199 CONECT 1163 1198 CONECT 1198 1163 1238 CONECT 1199 345 1251 1332 1333 CONECT 1199 1334 CONECT 1238 1198 CONECT 1251 1199 CONECT 1332 1199 CONECT 1333 1199 CONECT 1334 1199 MASTER 0 0 0 5 4 0 0 6 1356 3 10 10 END