HEADER STRUCTURE FROM UNIO, UNIO VERSION 2.8.0 2018 March 23th, 11:20:17 COMPND MOL_ID: 1; COMPND 2 MOLECULE: COMPND 3 CHAIN: A; EXPDTA NMR, 20 STRUCTURES REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.HERRMANN,P.GUNTERT,K.WUTHRICH REMARK 1 TITL PROTEIN NMR STRUCTURE DETERMINATION REMARK 1 TITL 2 WITH AUTOMATED NOE-IDENTIFICATION REMARK 1 TITL 3 IN THE NOESY SPECTRA USING THE NEW REMARK 1 TITL 4 SOFTWARE ATNOS REMARK 1 REF J. Biomol. NMR V. 24 171 2002 REMARK 1 REFERENCE 2 REMARK 1 AUTH T.HERRMANN,P.GUNTERT,K.WUTHRICH REMARK 1 TITL PROTEIN NMR STRUCTURE DETERMINATION REMARK 1 TITL 2 WITH AUTOMATED NOE ASSIGNMENT USING REMARK 1 TITL 3 THE NEW SOFTWARE CANDID AND THE REMARK 1 TITL 4 TORSION ANGLE DYNAMICS ALGORITHMDYANA REMARK 1 REF J. Mol. Biol. V. 319 209 2002 REMARK 1 REFERENCE 3 REMARK 1 AUTH F.FIORITO,F.F.DAMBERGER,T.HERRMANN,K.WUTHRICH REMARK 1 TITL AUTOMATED AMINO ACID SIDE-CHAIN ASSIGNMENTS REMARK 1 TITL 2 OF PROTEINS USING 13C- AND 15N 3D NOESY. REMARK 1 REF J. Biomol. NMR V. 42 23 2008 REMARK 1 REFERENCE 4 REMARK 1 AUTH J.VOLK,T.HERRMANN,K.WUTHRICH REMARK 1 TITL AUTOMATED SEQUENCE-SPECIFIC PROTEIN NMR REMARK 1 TITL 2 ASSIGNMENT USING THE MEMETIC ALGORITHMS REMARK 1 TITL 3 MATCH REMARK 1 REF J. Biomol. NMR V. 41 127 2008 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 2 SUBMISSION OF NMR STRUCTURES REMARK 3 REMARK 3 REFINEMENT. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : UNIO REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 21 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 REMARK: REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 HETATM 1 N DNP A 1 1.382 -0.036 -0.025 1.00 0.00 N N HETATM 2 H DNP A 1 1.738 -0.943 -0.309 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.881 0.250 1.338 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.492 -0.602 1.708 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.510 1.167 1.304 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.030 0.409 2.035 1.00 0.00 H H HETATM 7 CA DNP A 1 1.873 0.982 -0.999 1.00 0.00 C C HETATM 8 CB DNP A 1 1.224 0.740 -2.364 1.00 0.00 C C HETATM 9 CG DNP A 1 1.551 1.785 -3.404 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.938 1.369 -4.669 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.238 2.302 -5.648 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.551 1.963 -6.659 1.00 0.00 H H HETATM 13 1HD DNP A 1 2.006 0.283 -4.897 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.463 3.140 -3.120 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.760 4.073 -4.101 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.147 3.655 -5.364 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.387 4.402 -6.150 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.686 5.158 -3.875 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.156 3.478 -2.109 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.119 0.692 -2.236 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.588 -0.242 -2.742 1.00 0.00 H H HETATM 22 HA DNP A 1 1.600 1.993 -0.616 1.00 0.00 H H HETATM 23 C DNP A 1 3.381 0.898 -1.173 1.00 0.00 C C HETATM 24 O DNP A 1 3.890 -0.220 -1.263 1.00 0.00 O O ATOM 25 N ILE A 2 4.088 2.021 -1.234 1.00 0.00 N N ATOM 26 H ILE A 2 3.626 2.881 -1.156 1.00 0.00 H H ATOM 27 CA ILE A 2 5.534 2.005 -1.414 1.00 0.00 C C ATOM 28 HA ILE A 2 5.814 1.024 -1.770 1.00 0.00 H H ATOM 29 CB ILE A 2 5.985 3.046 -2.455 1.00 0.00 C C ATOM 30 HB ILE A 2 7.047 2.935 -2.607 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.288 2.801 -3.785 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.666 1.891 -4.226 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.225 2.707 -3.622 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.479 3.630 -4.450 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.697 4.462 -1.950 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.607 4.442 -0.875 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.517 5.108 -2.227 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.425 5.057 -2.511 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.520 5.168 -3.581 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.593 4.406 -2.288 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.253 6.026 -2.064 1.00 0.00 H H ATOM 42 C ILE A 2 6.255 2.275 -0.097 1.00 0.00 C C ATOM 43 O ILE A 2 7.399 2.728 -0.085 1.00 0.00 O O ATOM 44 N SER A 3 5.577 1.991 1.011 1.00 0.00 N N ATOM 45 H SER A 3 4.668 1.632 0.936 1.00 0.00 H H ATOM 46 CA SER A 3 6.151 2.205 2.334 1.00 0.00 C C ATOM 47 HA SER A 3 5.553 1.659 3.047 1.00 0.00 H H ATOM 48 CB SER A 3 7.587 1.679 2.381 1.00 0.00 C C ATOM 49 1HB SER A 3 7.784 1.098 1.493 1.00 0.00 H H ATOM 50 2HB SER A 3 8.272 2.513 2.425 1.00 0.00 H H ATOM 51 OG SER A 3 7.792 0.858 3.519 1.00 0.00 O O ATOM 52 HG SER A 3 7.593 -0.054 3.296 1.00 0.00 H H ATOM 53 C SER A 3 6.128 3.685 2.704 1.00 0.00 C C ATOM 54 O SER A 3 5.587 4.069 3.740 1.00 0.00 O O HETATM 55 N DGN A 4 6.719 4.512 1.847 1.00 0.00 N N HETATM 56 H DGN A 4 7.133 4.146 1.038 1.00 0.00 H H HETATM 57 CA DGN A 4 6.768 5.961 2.084 1.00 0.00 C C HETATM 58 CB DGN A 4 7.731 6.258 3.234 1.00 0.00 C C HETATM 59 CG DGN A 4 9.094 5.635 2.933 1.00 0.00 C C HETATM 60 CD DGN A 4 9.674 6.264 1.694 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.239 7.334 1.766 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.566 5.641 0.504 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 8.923 5.951 -0.152 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.133 4.880 0.303 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.765 5.804 3.774 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.976 4.563 2.773 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.841 7.336 3.348 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.334 5.835 4.158 1.00 0.00 H H HETATM 69 HA DGN A 4 7.114 6.465 1.182 1.00 0.00 H H HETATM 70 C DGN A 4 5.391 6.457 2.441 1.00 0.00 C C HETATM 71 O DGN A 4 5.211 7.156 3.437 1.00 0.00 O O HETATM 72 N DAI A 5 4.407 6.094 1.624 1.00 0.00 N N HETATM 73 H DAI A 5 4.614 5.535 0.845 1.00 0.00 H H HETATM 74 CA DAI A 5 3.018 6.511 1.859 1.00 0.00 C C HETATM 75 CB DAI A 5 2.080 5.676 0.985 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.204 6.128 -0.472 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.209 5.254 -1.124 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.357 6.766 -0.727 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.131 6.684 -0.602 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.460 4.199 1.095 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.435 3.774 2.564 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.950 2.802 2.654 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.456 3.706 2.940 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.882 4.510 3.147 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.749 3.596 0.530 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.463 4.051 0.691 1.00 0.00 H H HETATM 87 HB DAI A 5 1.053 5.812 1.321 1.00 0.00 H H HETATM 88 HA DAI A 5 2.767 6.362 2.908 1.00 0.00 H H HETATM 89 C DAI A 5 2.865 7.969 1.508 1.00 0.00 C C HETATM 90 O DAI A 5 3.853 8.676 1.305 1.00 0.00 O O ATOM 91 N ILE A 6 1.620 8.428 1.436 1.00 0.00 N N ATOM 92 H ILE A 6 0.875 7.816 1.608 1.00 0.00 H H ATOM 93 CA ILE A 6 1.337 9.819 1.107 1.00 0.00 C C ATOM 94 HA ILE A 6 2.213 10.403 1.348 1.00 0.00 H H ATOM 95 CB ILE A 6 1.036 9.993 -0.394 1.00 0.00 C C ATOM 96 HB ILE A 6 1.948 9.820 -0.944 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.007 8.969 -0.850 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.449 8.321 -1.593 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.312 8.379 -0.004 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.844 9.478 -1.276 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.543 11.413 -0.676 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.535 11.416 -0.697 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.885 12.068 0.112 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.035 11.973 -1.993 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.684 12.988 -2.106 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.114 11.959 -2.010 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.654 11.369 -2.805 1.00 0.00 H H ATOM 108 C ILE A 6 0.156 10.345 1.915 1.00 0.00 C C ATOM 109 O ILE A 6 0.133 11.510 2.313 1.00 0.00 O O ATOM 110 N SER A 7 -0.823 9.479 2.155 1.00 0.00 N N ATOM 111 H SER A 7 -0.747 8.564 1.811 1.00 0.00 H H ATOM 112 CA SER A 7 -2.009 9.857 2.914 1.00 0.00 C C ATOM 113 HA SER A 7 -2.078 10.934 2.907 1.00 0.00 H H ATOM 114 CB SER A 7 -3.265 9.273 2.263 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.404 9.721 1.291 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.147 8.205 2.155 1.00 0.00 H H ATOM 117 OG SER A 7 -4.414 9.528 3.053 1.00 0.00 O O ATOM 118 HG SER A 7 -4.478 10.470 3.230 1.00 0.00 H H ATOM 119 C SER A 7 -1.904 9.380 4.360 1.00 0.00 C C ATOM 120 O SER A 7 -1.375 8.303 4.632 1.00 0.00 O O HETATM 121 N DTH A 8 -2.411 10.191 5.282 1.00 0.00 N N HETATM 122 H DTH A 8 -2.819 11.037 5.003 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.373 9.850 6.711 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.953 10.042 7.245 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.465 11.451 6.902 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.173 11.410 6.018 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.323 12.093 6.700 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.102 11.855 7.741 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.084 9.079 6.645 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.949 9.911 8.327 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.058 10.499 7.257 1.00 0.00 H H HETATM 132 C DTH A 8 -2.789 8.414 6.896 1.00 0.00 C C HETATM 133 O DTH A 8 -2.237 7.700 7.733 1.00 0.00 O O ATOM 134 N ALA A 9 -3.771 7.981 6.111 1.00 0.00 N N ATOM 135 H ALA A 9 -4.171 8.597 5.463 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.264 6.612 6.189 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.841 6.516 7.097 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.181 6.313 5.012 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.885 7.124 4.891 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.591 6.211 4.113 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.717 5.395 5.197 1.00 0.00 H H ATOM 142 C ALA A 9 -3.111 5.614 6.229 1.00 0.00 C C ATOM 143 O ALA A 9 -2.930 4.832 7.137 1.00 0.00 O O HETATM 144 N END A 10 -2.247 5.636 5.152 1.00 0.00 N N HETATM 145 H END A 10 -2.448 6.334 4.389 1.00 0.00 H H HETATM 146 CA END A 10 -1.109 4.704 5.115 1.00 0.00 C C HETATM 147 CB END A 10 -0.661 4.492 3.654 1.00 0.00 C C HETATM 148 CG END A 10 -1.790 4.547 2.606 1.00 0.00 C C HETATM 149 CD END A 10 -1.223 4.289 1.197 1.00 0.00 C C HETATM 150 ND END A 10 -1.823 2.992 0.843 1.00 0.00 N N HETATM 151 CZ END A 10 -2.715 2.632 1.832 1.00 0.00 C C HETATM 152 NZ END A 10 -3.432 1.551 1.769 1.00 0.00 N N HETATM 153 HZ END A 10 -4.099 1.315 2.550 1.00 0.00 H H HETATM 154 NG END A 10 -2.783 3.506 2.891 1.00 0.00 N N HETATM 155 HNG END A 10 -3.433 3.404 3.715 1.00 0.00 H H HETATM 156 HND END A 10 -1.639 2.398 -0.007 1.00 0.00 H H HETATM 157 1HD END A 10 -1.537 5.071 0.474 1.00 0.00 H H HETATM 158 2HD END A 10 -0.115 4.213 1.203 1.00 0.00 H H HETATM 159 HG END A 10 -2.263 5.555 2.643 1.00 0.00 H H HETATM 160 2HB END A 10 0.078 5.280 3.403 1.00 0.00 H H HETATM 161 3HB END A 10 -0.178 3.493 3.584 1.00 0.00 H H HETATM 162 HA END A 10 -1.419 3.730 5.557 1.00 0.00 H H HETATM 163 C END A 10 0.043 5.274 5.918 1.00 0.00 C C HETATM 164 O END A 10 0.663 4.463 6.606 1.00 0.00 O O ATOM 165 N ILE A 11 0.363 6.562 5.851 1.00 0.00 N N ATOM 166 H ILE A 11 -0.170 7.158 5.285 1.00 0.00 H H ATOM 167 CA ILE A 11 1.488 7.108 6.601 1.00 0.00 C C ATOM 168 HA ILE A 11 1.641 6.487 7.471 1.00 0.00 H H ATOM 169 CB ILE A 11 2.780 7.098 5.764 1.00 0.00 C C ATOM 170 HB ILE A 11 2.603 7.661 4.861 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.911 7.771 6.527 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.852 7.318 6.250 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.933 8.822 6.284 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.752 7.649 7.588 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.161 5.663 5.392 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.307 5.173 4.952 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.967 5.688 4.672 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.616 4.833 6.572 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.496 5.281 7.009 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 2.828 4.792 7.309 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.850 3.832 6.239 1.00 0.00 H H ATOM 182 C ILE A 11 1.202 8.535 7.057 1.00 0.00 C C ATOM 183 O ILE A 11 1.634 8.952 8.132 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 24 25 7 CONECT 3 4 6 5 1 CONECT 7 23 22 1 8 CONECT 8 20 21 7 9 CONECT 10 11 13 9 CONECT 14 15 19 9 CONECT 11 16 10 12 CONECT 15 16 18 14 CONECT 9 14 8 10 CONECT 16 17 15 11 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 3 2 7 CONECT 24 23 CONECT 25 23 26 27 CONECT 53 54 46 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 71 72 CONECT 57 55 58 69 70 CONECT 58 59 57 67 68 CONECT 60 59 61 62 CONECT 59 60 65 66 58 CONECT 56 55 CONECT 69 57 CONECT 55 53 57 56 CONECT 62 60 64 63 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 90 91 CONECT 74 75 72 88 89 CONECT 75 80 74 76 87 CONECT 81 80 82 84 83 CONECT 80 81 75 85 86 CONECT 76 78 79 75 77 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 70 74 CONECT 90 89 CONECT 91 92 93 89 CONECT 119 112 121 120 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 134 133 CONECT 123 124 121 132 131 CONECT 124 123 125 130 129 CONECT 125 124 127 128 126 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 119 122 123 CONECT 133 132 CONECT 129 124 CONECT 142 143 136 144 CONECT 134 136 135 132 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 146 165 164 CONECT 146 144 147 163 162 CONECT 147 148 146 160 161 CONECT 149 148 150 157 158 CONECT 148 154 149 147 159 CONECT 151 150 152 154 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 146 145 CONECT 150 149 151 156 CONECT 154 148 151 155 CONECT 152 153 151 CONECT 164 163 CONECT 165 167 163 166 MODEL 2 HETATM 1 N DNP A 1 1.373 -0.029 -0.028 1.00 0.00 N N HETATM 2 H DNP A 1 1.727 -0.937 -0.314 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.876 0.254 1.334 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.488 -0.599 1.700 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.505 1.171 1.300 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.028 0.412 2.034 1.00 0.00 H H HETATM 7 CA DNP A 1 1.862 0.990 -1.002 1.00 0.00 C C HETATM 8 CB DNP A 1 1.210 0.750 -2.365 1.00 0.00 C C HETATM 9 CG DNP A 1 1.534 1.796 -3.405 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.918 1.381 -4.671 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.216 2.316 -5.650 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.526 1.977 -6.662 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.985 0.295 -4.901 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.449 3.151 -3.119 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.743 4.085 -4.100 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.127 3.667 -5.364 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.366 4.415 -6.150 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.671 5.170 -3.872 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.144 3.488 -2.107 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.105 0.703 -2.235 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.571 -0.232 -2.746 1.00 0.00 H H HETATM 22 HA DNP A 1 1.591 2.000 -0.616 1.00 0.00 H H HETATM 23 C DNP A 1 3.370 0.904 -1.180 1.00 0.00 C C HETATM 24 O DNP A 1 3.877 -0.214 -1.273 1.00 0.00 O O ATOM 25 N ILE A 2 4.077 2.027 -1.241 1.00 0.00 N N ATOM 26 H ILE A 2 3.616 2.888 -1.161 1.00 0.00 H H ATOM 27 CA ILE A 2 5.523 2.010 -1.425 1.00 0.00 C C ATOM 28 HA ILE A 2 5.802 1.029 -1.784 1.00 0.00 H H ATOM 29 CB ILE A 2 5.972 3.053 -2.466 1.00 0.00 C C ATOM 30 HB ILE A 2 7.034 2.941 -2.620 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.271 2.809 -3.794 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.648 1.900 -4.239 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.209 2.714 -3.628 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.460 3.640 -4.458 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.686 4.467 -1.958 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.599 4.447 -0.883 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.506 5.114 -2.237 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.413 5.064 -2.515 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.506 5.176 -3.586 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.581 4.413 -2.291 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.243 6.032 -2.067 1.00 0.00 H H ATOM 42 C ILE A 2 6.247 2.277 -0.110 1.00 0.00 C C ATOM 43 O ILE A 2 7.392 2.729 -0.100 1.00 0.00 O O ATOM 44 N SER A 3 5.572 1.993 1.000 1.00 0.00 N N ATOM 45 H SER A 3 4.663 1.635 0.927 1.00 0.00 H H ATOM 46 CA SER A 3 6.150 2.205 2.322 1.00 0.00 C C ATOM 47 HA SER A 3 5.553 1.658 3.036 1.00 0.00 H H ATOM 48 CB SER A 3 7.586 1.677 2.364 1.00 0.00 C C ATOM 49 1HB SER A 3 7.779 1.095 1.476 1.00 0.00 H H ATOM 50 2HB SER A 3 8.272 2.511 2.405 1.00 0.00 H H ATOM 51 OG SER A 3 7.794 0.858 3.502 1.00 0.00 O O ATOM 52 HG SER A 3 7.114 0.182 3.538 1.00 0.00 H H ATOM 53 C SER A 3 6.129 3.685 2.693 1.00 0.00 C C ATOM 54 O SER A 3 5.592 4.067 3.731 1.00 0.00 O O HETATM 55 N DGN A 4 6.719 4.512 1.836 1.00 0.00 N N HETATM 56 H DGN A 4 7.130 4.147 1.025 1.00 0.00 H H HETATM 57 CA DGN A 4 6.769 5.961 2.075 1.00 0.00 C C HETATM 58 CB DGN A 4 7.735 6.255 3.222 1.00 0.00 C C HETATM 59 CG DGN A 4 9.097 5.631 2.917 1.00 0.00 C C HETATM 60 CD DGN A 4 9.674 6.262 1.677 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.025 7.423 1.695 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.802 5.539 0.547 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.408 5.854 -0.280 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.292 4.702 0.561 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.771 5.799 3.757 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.978 4.560 2.756 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.847 7.333 3.337 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.341 5.831 4.147 1.00 0.00 H H HETATM 69 HA DGN A 4 7.113 6.465 1.173 1.00 0.00 H H HETATM 70 C DGN A 4 5.394 6.457 2.436 1.00 0.00 C C HETATM 71 O DGN A 4 5.217 7.155 3.433 1.00 0.00 O O HETATM 72 N DAI A 5 4.408 6.096 1.621 1.00 0.00 N N HETATM 73 H DAI A 5 4.612 5.538 0.841 1.00 0.00 H H HETATM 74 CA DAI A 5 3.020 6.514 1.860 1.00 0.00 C C HETATM 75 CB DAI A 5 2.078 5.680 0.988 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.198 6.134 -0.469 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.201 5.260 -1.122 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.352 6.772 -0.721 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.125 6.690 -0.601 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.458 4.203 1.096 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.436 3.776 2.564 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.949 2.805 2.654 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.458 3.706 2.937 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.885 4.513 3.150 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.745 3.601 0.532 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.459 4.054 0.689 1.00 0.00 H H HETATM 87 HB DAI A 5 1.052 5.817 1.328 1.00 0.00 H H HETATM 88 HA DAI A 5 2.771 6.364 2.910 1.00 0.00 H H HETATM 89 C DAI A 5 2.867 7.973 1.511 1.00 0.00 C C HETATM 90 O DAI A 5 3.854 8.678 1.306 1.00 0.00 O O ATOM 91 N ILE A 6 1.622 8.432 1.443 1.00 0.00 N N ATOM 92 H ILE A 6 0.876 7.821 1.617 1.00 0.00 H H ATOM 93 CA ILE A 6 1.338 9.824 1.116 1.00 0.00 C C ATOM 94 HA ILE A 6 2.216 10.407 1.355 1.00 0.00 H H ATOM 95 CB ILE A 6 1.033 9.999 -0.383 1.00 0.00 C C ATOM 96 HB ILE A 6 1.944 9.826 -0.936 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.002 8.977 -0.837 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.442 8.329 -1.582 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.315 8.387 0.009 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.849 9.487 -1.261 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.541 11.421 -0.663 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.537 11.424 -0.681 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.886 12.075 0.125 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.029 11.981 -1.981 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.745 13.020 -2.058 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.104 11.896 -2.033 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.585 11.426 -2.794 1.00 0.00 H H ATOM 108 C ILE A 6 0.160 10.350 1.928 1.00 0.00 C C ATOM 109 O ILE A 6 0.139 11.515 2.327 1.00 0.00 O O ATOM 110 N SER A 7 -0.819 9.484 2.170 1.00 0.00 N N ATOM 111 H SER A 7 -0.744 8.570 1.825 1.00 0.00 H H ATOM 112 CA SER A 7 -2.002 9.862 2.934 1.00 0.00 C C ATOM 113 HA SER A 7 -2.070 10.940 2.928 1.00 0.00 H H ATOM 114 CB SER A 7 -3.260 9.280 2.286 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.116 9.217 1.218 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.442 8.292 2.684 1.00 0.00 H H ATOM 117 OG SER A 7 -4.391 10.093 2.547 1.00 0.00 O O ATOM 118 HG SER A 7 -5.078 9.902 1.905 1.00 0.00 H H ATOM 119 C SER A 7 -1.893 9.384 4.378 1.00 0.00 C C ATOM 120 O SER A 7 -1.364 8.307 4.648 1.00 0.00 O O HETATM 121 N DTH A 8 -2.397 10.195 5.303 1.00 0.00 N N HETATM 122 H DTH A 8 -2.806 11.041 5.025 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.355 9.853 6.732 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.933 10.044 7.261 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.445 11.453 6.917 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.045 11.440 5.944 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.296 12.134 6.887 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.262 11.788 7.676 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.067 9.080 6.658 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.926 9.911 8.343 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.038 10.502 7.280 1.00 0.00 H H HETATM 132 C DTH A 8 -2.772 8.417 6.916 1.00 0.00 C C HETATM 133 O DTH A 8 -2.217 7.702 7.751 1.00 0.00 O O ATOM 134 N ALA A 9 -3.755 7.985 6.134 1.00 0.00 N N ATOM 135 H ALA A 9 -4.158 8.603 5.488 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.249 6.616 6.212 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.825 6.520 7.122 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.170 6.320 5.038 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.874 7.130 4.919 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.583 6.218 4.137 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.706 5.401 5.224 1.00 0.00 H H ATOM 142 C ALA A 9 -3.097 5.618 6.249 1.00 0.00 C C ATOM 143 O ALA A 9 -2.914 4.835 7.155 1.00 0.00 O O HETATM 144 N END A 10 -2.237 5.640 5.168 1.00 0.00 N N HETATM 145 H END A 10 -2.439 6.339 4.407 1.00 0.00 H H HETATM 146 CA END A 10 -1.099 4.707 5.128 1.00 0.00 C C HETATM 147 CB END A 10 -0.656 4.495 3.665 1.00 0.00 C C HETATM 148 CG END A 10 -1.787 4.552 2.620 1.00 0.00 C C HETATM 149 CD END A 10 -1.225 4.295 1.210 1.00 0.00 C C HETATM 150 ND END A 10 -1.827 2.999 0.856 1.00 0.00 N N HETATM 151 CZ END A 10 -2.716 2.639 1.848 1.00 0.00 C C HETATM 152 NZ END A 10 -3.434 1.558 1.786 1.00 0.00 N N HETATM 153 HZ END A 10 -4.099 1.322 2.569 1.00 0.00 H H HETATM 154 NG END A 10 -2.781 3.512 2.908 1.00 0.00 N N HETATM 155 HNG END A 10 -3.428 3.410 3.733 1.00 0.00 H H HETATM 156 HND END A 10 -1.645 2.406 0.005 1.00 0.00 H H HETATM 157 1HD END A 10 -1.541 5.078 0.488 1.00 0.00 H H HETATM 158 2HD END A 10 -0.116 4.219 1.213 1.00 0.00 H H HETATM 159 HG END A 10 -2.260 5.560 2.660 1.00 0.00 H H HETATM 160 2HB END A 10 0.084 5.284 3.413 1.00 0.00 H H HETATM 161 3HB END A 10 -0.174 3.497 3.594 1.00 0.00 H H HETATM 162 HA END A 10 -1.409 3.733 5.570 1.00 0.00 H H HETATM 163 C END A 10 0.055 5.276 5.928 1.00 0.00 C C HETATM 164 O END A 10 0.677 4.463 6.613 1.00 0.00 O O ATOM 165 N ILE A 11 0.376 6.563 5.861 1.00 0.00 N N ATOM 166 H ILE A 11 -0.158 7.161 5.297 1.00 0.00 H H ATOM 167 CA ILE A 11 1.503 7.108 6.608 1.00 0.00 C C ATOM 168 HA ILE A 11 1.658 6.486 7.478 1.00 0.00 H H ATOM 169 CB ILE A 11 2.794 7.097 5.767 1.00 0.00 C C ATOM 170 HB ILE A 11 2.614 7.661 4.865 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.928 7.767 6.528 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 3.989 8.807 6.240 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.738 7.700 7.589 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 4.859 7.274 6.296 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.172 5.662 5.393 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.316 5.174 4.954 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.976 5.686 4.672 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.627 4.830 6.571 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 3.476 5.386 7.485 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.057 3.914 6.607 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 4.676 4.596 6.462 1.00 0.00 H H ATOM 182 C ILE A 11 1.221 8.535 7.066 1.00 0.00 C C ATOM 183 O ILE A 11 1.634 8.944 8.151 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 7 24 25 CONECT 3 5 4 6 1 CONECT 7 22 23 8 1 CONECT 8 7 20 21 9 CONECT 10 13 9 11 CONECT 14 19 9 15 CONECT 11 16 10 12 CONECT 15 18 16 14 CONECT 9 10 8 14 CONECT 16 15 17 11 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 7 3 2 CONECT 24 23 CONECT 25 26 27 23 CONECT 53 46 55 54 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 72 71 CONECT 57 70 58 55 69 CONECT 58 57 67 68 59 CONECT 60 62 61 59 CONECT 59 60 58 65 66 CONECT 56 55 CONECT 69 57 CONECT 55 53 57 56 CONECT 62 60 63 64 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 91 74 90 CONECT 74 72 89 88 75 CONECT 75 80 74 87 76 CONECT 81 80 83 84 82 CONECT 80 86 81 85 75 CONECT 76 79 78 77 75 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 70 74 73 CONECT 90 89 CONECT 91 89 93 92 CONECT 119 120 121 112 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 133 134 CONECT 123 131 121 132 124 CONECT 124 123 129 130 125 CONECT 125 126 128 124 127 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 119 123 122 CONECT 133 132 CONECT 129 124 CONECT 142 143 144 136 CONECT 134 132 136 135 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 165 146 CONECT 146 147 163 144 162 CONECT 147 160 161 146 148 CONECT 149 158 150 157 148 CONECT 148 149 154 159 147 CONECT 151 150 154 152 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 146 145 CONECT 150 149 156 151 CONECT 154 148 151 155 CONECT 152 153 151 CONECT 164 163 CONECT 165 166 167 163 MODEL 3 HETATM 1 N DNP A 1 1.384 -0.035 -0.031 1.00 0.00 N N HETATM 2 H DNP A 1 1.739 -0.942 -0.316 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.883 0.250 1.332 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.493 -0.602 1.701 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.512 1.168 1.299 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.032 0.409 2.029 1.00 0.00 H H HETATM 7 CA DNP A 1 1.874 0.984 -1.005 1.00 0.00 C C HETATM 8 CB DNP A 1 1.225 0.743 -2.369 1.00 0.00 C C HETATM 9 CG DNP A 1 1.551 1.788 -3.409 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.938 1.373 -4.674 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.237 2.308 -5.653 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.549 1.969 -6.664 1.00 0.00 H H HETATM 13 1HD DNP A 1 2.005 0.287 -4.903 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.465 3.144 -3.123 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.761 4.077 -4.104 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.147 3.660 -5.367 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.387 4.407 -6.153 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.687 5.162 -3.877 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.158 3.481 -2.112 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.120 0.695 -2.241 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.589 -0.239 -2.748 1.00 0.00 H H HETATM 22 HA DNP A 1 1.602 1.995 -0.620 1.00 0.00 H H HETATM 23 C DNP A 1 3.383 0.899 -1.179 1.00 0.00 C C HETATM 24 O DNP A 1 3.891 -0.219 -1.270 1.00 0.00 O O ATOM 25 N ILE A 2 4.090 2.022 -1.239 1.00 0.00 N N ATOM 26 H ILE A 2 3.628 2.883 -1.161 1.00 0.00 H H ATOM 27 CA ILE A 2 5.536 2.005 -1.419 1.00 0.00 C C ATOM 28 HA ILE A 2 5.816 1.025 -1.777 1.00 0.00 H H ATOM 29 CB ILE A 2 5.986 3.047 -2.460 1.00 0.00 C C ATOM 30 HB ILE A 2 7.049 2.936 -2.612 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.289 2.803 -3.790 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.663 1.890 -4.229 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.226 2.715 -3.627 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.485 3.630 -4.456 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.699 4.463 -1.954 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.610 4.443 -0.879 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.520 5.109 -2.231 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.427 5.058 -2.515 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.523 5.170 -3.585 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.595 4.407 -2.292 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.256 6.027 -2.067 1.00 0.00 H H ATOM 42 C ILE A 2 6.257 2.274 -0.102 1.00 0.00 C C ATOM 43 O ILE A 2 7.401 2.726 -0.091 1.00 0.00 O O ATOM 44 N SER A 3 5.579 1.990 1.005 1.00 0.00 N N ATOM 45 H SER A 3 4.670 1.632 0.931 1.00 0.00 H H ATOM 46 CA SER A 3 6.154 2.203 2.329 1.00 0.00 C C ATOM 47 HA SER A 3 5.555 1.656 3.042 1.00 0.00 H H ATOM 48 CB SER A 3 7.589 1.676 2.375 1.00 0.00 C C ATOM 49 1HB SER A 3 7.783 1.089 1.490 1.00 0.00 H H ATOM 50 2HB SER A 3 8.275 2.510 2.412 1.00 0.00 H H ATOM 51 OG SER A 3 7.797 0.863 3.517 1.00 0.00 O O ATOM 52 HG SER A 3 6.994 0.374 3.713 1.00 0.00 H H ATOM 53 C SER A 3 6.131 3.683 2.699 1.00 0.00 C C ATOM 54 O SER A 3 5.591 4.066 3.736 1.00 0.00 O O HETATM 55 N DGN A 4 6.723 4.510 1.843 1.00 0.00 N N HETATM 56 H DGN A 4 7.136 4.144 1.033 1.00 0.00 H H HETATM 57 CA DGN A 4 6.772 5.959 2.081 1.00 0.00 C C HETATM 58 CB DGN A 4 7.735 6.254 3.230 1.00 0.00 C C HETATM 59 CG DGN A 4 9.098 5.631 2.929 1.00 0.00 C C HETATM 60 CD DGN A 4 9.678 6.262 1.690 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.218 7.345 1.758 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.598 5.624 0.505 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.099 6.018 -0.226 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.041 4.770 0.384 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.770 5.800 3.770 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.980 4.560 2.768 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.846 7.332 3.345 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.339 5.831 4.154 1.00 0.00 H H HETATM 69 HA DGN A 4 7.118 6.463 1.179 1.00 0.00 H H HETATM 70 C DGN A 4 5.396 6.455 2.438 1.00 0.00 C C HETATM 71 O DGN A 4 5.216 7.153 3.434 1.00 0.00 O O HETATM 72 N DAI A 5 4.412 6.093 1.621 1.00 0.00 N N HETATM 73 H DAI A 5 4.617 5.534 0.843 1.00 0.00 H H HETATM 74 CA DAI A 5 3.023 6.510 1.857 1.00 0.00 C C HETATM 75 CB DAI A 5 2.083 5.676 0.983 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.207 6.128 -0.474 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.212 5.254 -1.127 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.361 6.766 -0.729 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.134 6.684 -0.604 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.464 4.199 1.093 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.438 3.773 2.562 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.951 2.801 2.650 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.459 3.703 2.937 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.887 4.510 3.145 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.752 3.596 0.527 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.466 4.050 0.689 1.00 0.00 H H HETATM 87 HB DAI A 5 1.057 5.812 1.320 1.00 0.00 H H HETATM 88 HA DAI A 5 2.771 6.361 2.907 1.00 0.00 H H HETATM 89 C DAI A 5 2.870 7.969 1.507 1.00 0.00 C C HETATM 90 O DAI A 5 3.858 8.675 1.303 1.00 0.00 O O ATOM 91 N ILE A 6 1.625 8.427 1.435 1.00 0.00 N N ATOM 92 H ILE A 6 0.879 7.816 1.608 1.00 0.00 H H ATOM 93 CA ILE A 6 1.342 9.819 1.106 1.00 0.00 C C ATOM 94 HA ILE A 6 2.219 10.403 1.347 1.00 0.00 H H ATOM 95 CB ILE A 6 1.040 9.993 -0.394 1.00 0.00 C C ATOM 96 HB ILE A 6 1.952 9.820 -0.944 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.011 8.970 -0.849 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.452 8.322 -1.593 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.308 8.380 -0.003 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.840 9.479 -1.275 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.548 11.414 -0.676 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.531 11.417 -0.696 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.891 12.069 0.112 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.038 11.973 -1.993 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.711 12.998 -2.094 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.117 11.935 -2.021 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.636 11.386 -2.805 1.00 0.00 H H ATOM 108 C ILE A 6 0.162 10.346 1.915 1.00 0.00 C C ATOM 109 O ILE A 6 0.139 11.510 2.314 1.00 0.00 O O ATOM 110 N SER A 7 -0.817 9.479 2.156 1.00 0.00 N N ATOM 111 H SER A 7 -0.741 8.565 1.812 1.00 0.00 H H ATOM 112 CA SER A 7 -2.003 9.858 2.916 1.00 0.00 C C ATOM 113 HA SER A 7 -2.071 10.935 2.909 1.00 0.00 H H ATOM 114 CB SER A 7 -3.259 9.275 2.266 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.550 9.894 1.432 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.049 8.274 1.916 1.00 0.00 H H ATOM 117 OG SER A 7 -4.332 9.219 3.190 1.00 0.00 O O ATOM 118 HG SER A 7 -4.839 10.033 3.141 1.00 0.00 H H ATOM 119 C SER A 7 -1.896 9.381 4.361 1.00 0.00 C C ATOM 120 O SER A 7 -1.368 8.303 4.633 1.00 0.00 O O HETATM 121 N DTH A 8 -2.403 10.192 5.284 1.00 0.00 N N HETATM 122 H DTH A 8 -2.811 11.038 5.005 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.365 9.851 6.713 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.943 10.043 7.246 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.456 11.452 6.903 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.223 11.404 6.051 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.310 12.080 6.651 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.067 11.875 7.761 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.075 9.078 6.646 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.939 9.911 8.328 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.049 10.500 7.260 1.00 0.00 H H HETATM 132 C DTH A 8 -2.781 8.414 6.898 1.00 0.00 C C HETATM 133 O DTH A 8 -2.228 7.701 7.735 1.00 0.00 O O ATOM 134 N ALA A 9 -3.763 7.982 6.114 1.00 0.00 N N ATOM 135 H ALA A 9 -4.164 8.599 5.466 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.256 6.613 6.192 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.834 6.517 7.100 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.174 6.315 5.015 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.878 7.126 4.895 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.585 6.213 4.116 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.711 5.397 5.201 1.00 0.00 H H ATOM 142 C ALA A 9 -3.104 5.615 6.232 1.00 0.00 C C ATOM 143 O ALA A 9 -2.922 4.833 7.139 1.00 0.00 O O HETATM 144 N END A 10 -2.241 5.636 5.153 1.00 0.00 N N HETATM 145 H END A 10 -2.442 6.335 4.391 1.00 0.00 H H HETATM 146 CA END A 10 -1.103 4.705 5.116 1.00 0.00 C C HETATM 147 CB END A 10 -0.656 4.492 3.655 1.00 0.00 C C HETATM 148 CG END A 10 -1.785 4.547 2.607 1.00 0.00 C C HETATM 149 CD END A 10 -1.219 4.289 1.198 1.00 0.00 C C HETATM 150 ND END A 10 -1.820 2.993 0.844 1.00 0.00 N N HETATM 151 CZ END A 10 -2.711 2.633 1.833 1.00 0.00 C C HETATM 152 NZ END A 10 -3.429 1.552 1.771 1.00 0.00 N N HETATM 153 HZ END A 10 -4.096 1.317 2.552 1.00 0.00 H H HETATM 154 NG END A 10 -2.779 3.508 2.893 1.00 0.00 N N HETATM 155 HNG END A 10 -3.428 3.406 3.717 1.00 0.00 H H HETATM 156 HND END A 10 -1.637 2.399 -0.006 1.00 0.00 H H HETATM 157 1HD END A 10 -1.534 5.072 0.475 1.00 0.00 H H HETATM 158 2HD END A 10 -0.111 4.213 1.203 1.00 0.00 H H HETATM 159 HG END A 10 -2.258 5.556 2.645 1.00 0.00 H H HETATM 160 2HB END A 10 0.084 5.280 3.403 1.00 0.00 H H HETATM 161 3HB END A 10 -0.173 3.493 3.585 1.00 0.00 H H HETATM 162 HA END A 10 -1.413 3.730 5.558 1.00 0.00 H H HETATM 163 C END A 10 0.049 5.274 5.918 1.00 0.00 C C HETATM 164 O END A 10 0.670 4.462 6.605 1.00 0.00 O O ATOM 165 N ILE A 11 0.370 6.561 5.851 1.00 0.00 N N ATOM 166 H ILE A 11 -0.163 7.158 5.286 1.00 0.00 H H ATOM 167 CA ILE A 11 1.495 7.107 6.600 1.00 0.00 C C ATOM 168 HA ILE A 11 1.649 6.486 7.471 1.00 0.00 H H ATOM 169 CB ILE A 11 2.788 7.096 5.763 1.00 0.00 C C ATOM 170 HB ILE A 11 2.610 7.660 4.860 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.919 7.768 6.526 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.859 7.555 6.037 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.757 8.835 6.543 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.946 7.390 7.537 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.167 5.661 5.390 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.313 5.172 4.950 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.973 5.685 4.671 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.620 4.830 6.570 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.692 4.701 6.530 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.352 5.331 7.488 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.140 3.863 6.534 1.00 0.00 H H ATOM 182 C ILE A 11 1.211 8.534 7.056 1.00 0.00 C C ATOM 183 O ILE A 11 1.625 8.945 8.141 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 25 7 24 CONECT 3 4 6 1 5 CONECT 7 8 22 1 23 CONECT 8 9 21 7 20 CONECT 10 13 9 11 CONECT 14 19 9 15 CONECT 11 12 16 10 CONECT 15 14 18 16 CONECT 9 14 8 10 CONECT 16 17 11 15 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 2 3 7 CONECT 24 23 CONECT 25 26 23 27 CONECT 53 46 54 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 72 71 57 CONECT 57 69 55 70 58 CONECT 58 67 68 59 57 CONECT 60 62 59 61 CONECT 59 60 65 66 58 CONECT 56 55 CONECT 69 57 CONECT 55 56 53 57 CONECT 62 64 60 63 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 91 90 74 CONECT 74 72 75 88 89 CONECT 75 80 76 74 87 CONECT 81 84 80 83 82 CONECT 80 75 85 86 81 CONECT 76 78 79 75 77 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 70 74 CONECT 90 89 CONECT 91 89 92 93 CONECT 119 121 120 112 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 133 134 123 CONECT 123 124 121 132 131 CONECT 124 129 130 123 125 CONECT 125 124 128 126 127 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 122 123 119 CONECT 133 132 CONECT 129 124 CONECT 142 144 136 143 CONECT 134 136 132 135 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 146 165 164 CONECT 146 144 147 162 163 CONECT 147 146 148 160 161 CONECT 149 150 148 157 158 CONECT 148 147 154 149 159 CONECT 151 150 154 152 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 146 142 145 CONECT 150 156 149 151 CONECT 154 155 151 148 CONECT 152 153 151 CONECT 164 163 CONECT 165 166 167 163 MODEL 4 HETATM 1 N DNP A 1 1.360 -0.033 -0.042 1.00 0.00 N N HETATM 2 H DNP A 1 1.712 -0.941 -0.330 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.861 0.246 1.321 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.469 -0.610 1.687 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.493 1.161 1.290 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.012 0.406 2.019 1.00 0.00 H H HETATM 7 CA DNP A 1 1.854 0.987 -1.013 1.00 0.00 C C HETATM 8 CB DNP A 1 1.203 0.751 -2.378 1.00 0.00 C C HETATM 9 CG DNP A 1 1.532 1.799 -3.415 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.917 1.386 -4.682 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.220 2.322 -5.658 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.530 1.985 -6.670 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.981 0.300 -4.914 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.450 3.154 -3.126 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.749 4.089 -4.104 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.134 3.673 -5.369 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.376 4.422 -6.153 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.680 5.173 -3.874 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.145 3.489 -2.114 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.098 0.707 -2.250 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.563 -0.231 -2.760 1.00 0.00 H H HETATM 22 HA DNP A 1 1.585 1.997 -0.626 1.00 0.00 H H HETATM 23 C DNP A 1 3.362 0.897 -1.189 1.00 0.00 C C HETATM 24 O DNP A 1 3.866 -0.223 -1.283 1.00 0.00 O O ATOM 25 N ILE A 2 4.073 2.018 -1.247 1.00 0.00 N N ATOM 26 H ILE A 2 3.614 2.879 -1.166 1.00 0.00 H H ATOM 27 CA ILE A 2 5.519 1.996 -1.428 1.00 0.00 C C ATOM 28 HA ILE A 2 5.795 1.016 -1.788 1.00 0.00 H H ATOM 29 CB ILE A 2 5.972 3.040 -2.466 1.00 0.00 C C ATOM 30 HB ILE A 2 7.034 2.925 -2.619 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.274 2.802 -3.796 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.647 1.890 -4.240 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.210 2.712 -3.633 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.468 3.631 -4.459 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.691 4.454 -1.955 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.602 4.432 -0.881 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.513 5.099 -2.231 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.420 5.056 -2.514 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.515 5.170 -3.584 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.586 4.408 -2.293 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.252 6.024 -2.063 1.00 0.00 H H ATOM 42 C ILE A 2 6.241 2.258 -0.111 1.00 0.00 C C ATOM 43 O ILE A 2 7.388 2.707 -0.098 1.00 0.00 O O ATOM 44 N SER A 3 5.563 1.974 0.997 1.00 0.00 N N ATOM 45 H SER A 3 4.653 1.619 0.922 1.00 0.00 H H ATOM 46 CA SER A 3 6.140 2.181 2.320 1.00 0.00 C C ATOM 47 HA SER A 3 5.540 1.635 3.032 1.00 0.00 H H ATOM 48 CB SER A 3 7.573 1.649 2.365 1.00 0.00 C C ATOM 49 1HB SER A 3 7.768 1.071 1.474 1.00 0.00 H H ATOM 50 2HB SER A 3 8.262 2.480 2.412 1.00 0.00 H H ATOM 51 OG SER A 3 7.776 0.822 3.498 1.00 0.00 O O ATOM 52 HG SER A 3 8.172 1.338 4.204 1.00 0.00 H H ATOM 53 C SER A 3 6.123 3.660 2.695 1.00 0.00 C C ATOM 54 O SER A 3 5.585 4.042 3.733 1.00 0.00 O O HETATM 55 N DGN A 4 6.716 4.487 1.841 1.00 0.00 N N HETATM 56 H DGN A 4 7.128 4.122 1.030 1.00 0.00 H H HETATM 57 CA DGN A 4 6.771 5.935 2.083 1.00 0.00 C C HETATM 58 CB DGN A 4 7.736 6.224 3.232 1.00 0.00 C C HETATM 59 CG DGN A 4 9.096 5.597 2.928 1.00 0.00 C C HETATM 60 CD DGN A 4 9.677 6.229 1.690 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.339 7.241 1.781 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.465 5.671 0.482 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 8.841 6.077 -0.138 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 9.938 4.862 0.232 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.769 5.761 3.770 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.974 4.526 2.765 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.850 7.301 3.350 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.339 5.800 4.155 1.00 0.00 H H HETATM 69 HA DGN A 4 7.118 6.441 1.182 1.00 0.00 H H HETATM 70 C DGN A 4 5.397 6.435 2.442 1.00 0.00 C C HETATM 71 O DGN A 4 5.220 7.131 3.440 1.00 0.00 O O HETATM 72 N DAI A 5 4.411 6.079 1.625 1.00 0.00 N N HETATM 73 H DAI A 5 4.614 5.523 0.844 1.00 0.00 H H HETATM 74 CA DAI A 5 3.024 6.501 1.862 1.00 0.00 C C HETATM 75 CB DAI A 5 2.081 5.672 0.987 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.205 6.129 -0.469 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.207 5.257 -1.124 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.362 6.771 -0.721 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.135 6.682 -0.598 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.456 4.194 1.091 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.430 3.763 2.559 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.940 2.793 2.645 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.451 3.690 2.934 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.881 4.501 3.145 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.742 3.596 0.525 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.457 4.043 0.686 1.00 0.00 H H HETATM 87 HB DAI A 5 1.055 5.812 1.324 1.00 0.00 H H HETATM 88 HA DAI A 5 2.772 6.349 2.912 1.00 0.00 H H HETATM 89 C DAI A 5 2.876 7.961 1.517 1.00 0.00 C C HETATM 90 O DAI A 5 3.866 8.664 1.315 1.00 0.00 O O ATOM 91 N ILE A 6 1.633 8.424 1.447 1.00 0.00 N N ATOM 92 H ILE A 6 0.885 7.815 1.618 1.00 0.00 H H ATOM 93 CA ILE A 6 1.354 9.818 1.123 1.00 0.00 C C ATOM 94 HA ILE A 6 2.233 10.398 1.365 1.00 0.00 H H ATOM 95 CB ILE A 6 1.053 9.998 -0.377 1.00 0.00 C C ATOM 96 HB ILE A 6 1.964 9.823 -0.928 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.020 8.980 -0.835 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.458 8.333 -1.580 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.302 8.388 0.009 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.830 9.494 -1.259 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.565 11.421 -0.654 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.513 11.429 -0.674 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.911 12.073 0.136 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.057 11.983 -1.970 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.730 13.008 -2.069 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.136 11.944 -1.998 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.655 11.398 -2.784 1.00 0.00 H H ATOM 108 C ILE A 6 0.176 10.347 1.934 1.00 0.00 C C ATOM 109 O ILE A 6 0.158 11.510 2.336 1.00 0.00 O O ATOM 110 N SER A 7 -0.806 9.483 2.172 1.00 0.00 N N ATOM 111 H SER A 7 -0.733 8.569 1.825 1.00 0.00 H H ATOM 112 CA SER A 7 -1.990 9.863 2.934 1.00 0.00 C C ATOM 113 HA SER A 7 -2.055 10.941 2.930 1.00 0.00 H H ATOM 114 CB SER A 7 -3.248 9.286 2.283 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.106 9.235 1.214 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.428 8.294 2.671 1.00 0.00 H H ATOM 117 OG SER A 7 -4.380 10.095 2.555 1.00 0.00 O O ATOM 118 HG SER A 7 -5.041 9.960 1.872 1.00 0.00 H H ATOM 119 C SER A 7 -1.884 9.382 4.378 1.00 0.00 C C ATOM 120 O SER A 7 -1.359 8.302 4.646 1.00 0.00 O O HETATM 121 N DTH A 8 -2.387 10.192 5.303 1.00 0.00 N N HETATM 122 H DTH A 8 -2.793 11.040 5.027 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.350 9.847 6.731 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.927 10.032 7.264 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.435 11.441 6.924 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.361 11.378 6.182 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.261 12.027 6.521 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 -0.054 11.920 7.826 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.063 9.067 6.660 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.923 9.898 8.345 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.031 10.497 7.280 1.00 0.00 H H HETATM 132 C DTH A 8 -2.771 8.412 6.912 1.00 0.00 C C HETATM 133 O DTH A 8 -2.220 7.694 7.747 1.00 0.00 O O ATOM 134 N ALA A 9 -3.754 7.985 6.127 1.00 0.00 N N ATOM 135 H ALA A 9 -4.153 8.605 5.482 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.253 6.617 6.202 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.830 6.521 7.110 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.172 6.326 5.025 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.874 7.139 4.907 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.584 6.224 4.125 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.712 5.409 5.209 1.00 0.00 H H ATOM 142 C ALA A 9 -3.104 5.616 6.238 1.00 0.00 C C ATOM 143 O ALA A 9 -2.924 4.830 7.143 1.00 0.00 O O HETATM 144 N END A 10 -2.241 5.637 5.160 1.00 0.00 N N HETATM 145 H END A 10 -2.440 6.338 4.399 1.00 0.00 H H HETATM 146 CA END A 10 -1.107 4.701 5.119 1.00 0.00 C C HETATM 147 CB END A 10 -0.662 4.491 3.657 1.00 0.00 C C HETATM 148 CG END A 10 -1.791 4.553 2.610 1.00 0.00 C C HETATM 149 CD END A 10 -1.227 4.297 1.200 1.00 0.00 C C HETATM 150 ND END A 10 -1.832 3.004 0.842 1.00 0.00 N N HETATM 151 CZ END A 10 -2.724 2.645 1.831 1.00 0.00 C C HETATM 152 NZ END A 10 -3.445 1.566 1.766 1.00 0.00 N N HETATM 153 HZ END A 10 -4.113 1.331 2.547 1.00 0.00 H H HETATM 154 NG END A 10 -2.788 3.516 2.893 1.00 0.00 N N HETATM 155 HNG END A 10 -3.437 3.414 3.717 1.00 0.00 H H HETATM 156 HND END A 10 -1.651 2.412 -0.010 1.00 0.00 H H HETATM 157 1HD END A 10 -1.539 5.083 0.479 1.00 0.00 H H HETATM 158 2HD END A 10 -0.119 4.217 1.205 1.00 0.00 H H HETATM 159 HG END A 10 -2.260 5.563 2.651 1.00 0.00 H H HETATM 160 2HB END A 10 0.081 5.277 3.407 1.00 0.00 H H HETATM 161 3HB END A 10 -0.182 3.490 3.584 1.00 0.00 H H HETATM 162 HA END A 10 -1.420 3.726 5.559 1.00 0.00 H H HETATM 163 C END A 10 0.048 5.264 5.922 1.00 0.00 C C HETATM 164 O END A 10 0.666 4.448 6.607 1.00 0.00 O O ATOM 165 N ILE A 11 0.373 6.550 5.859 1.00 0.00 N N ATOM 166 H ILE A 11 -0.158 7.151 5.295 1.00 0.00 H H ATOM 167 CA ILE A 11 1.501 7.090 6.608 1.00 0.00 C C ATOM 168 HA ILE A 11 1.652 6.466 7.477 1.00 0.00 H H ATOM 169 CB ILE A 11 2.793 7.077 5.770 1.00 0.00 C C ATOM 170 HB ILE A 11 2.617 7.644 4.869 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.927 7.742 6.535 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 3.887 8.810 6.381 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.826 7.527 7.588 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 4.873 7.362 6.179 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.166 5.642 5.393 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.310 5.158 4.951 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.973 5.665 4.674 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.616 4.805 6.570 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.689 4.685 6.538 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.335 5.296 7.490 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.145 3.834 6.523 1.00 0.00 H H ATOM 182 C ILE A 11 1.222 8.517 7.069 1.00 0.00 C C ATOM 183 O ILE A 11 1.680 8.939 8.131 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 24 25 7 CONECT 3 4 6 1 5 CONECT 7 22 23 8 1 CONECT 8 9 20 21 7 CONECT 10 9 13 11 CONECT 14 9 15 19 CONECT 11 10 12 16 CONECT 15 14 16 18 CONECT 9 10 8 14 CONECT 16 15 11 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 3 2 7 CONECT 24 23 CONECT 25 23 26 27 CONECT 53 55 54 46 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 72 71 CONECT 57 55 58 69 70 CONECT 58 57 67 68 59 CONECT 60 59 62 61 CONECT 59 58 65 60 66 CONECT 56 55 CONECT 69 57 CONECT 55 57 56 53 CONECT 62 64 60 63 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 90 91 CONECT 74 75 72 89 88 CONECT 75 74 80 76 87 CONECT 81 80 83 82 84 CONECT 80 75 81 86 85 CONECT 76 75 77 79 78 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 74 70 CONECT 90 89 CONECT 91 92 89 93 CONECT 119 120 112 121 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 133 123 134 CONECT 123 132 124 131 121 CONECT 124 123 130 129 125 CONECT 125 124 127 128 126 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 122 123 119 CONECT 133 132 CONECT 129 124 CONECT 142 136 143 144 CONECT 134 132 136 135 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 165 164 146 CONECT 146 162 147 163 144 CONECT 147 148 161 160 146 CONECT 149 148 158 150 157 CONECT 148 154 159 147 149 CONECT 151 154 150 152 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 146 145 CONECT 150 156 151 149 CONECT 154 148 151 155 CONECT 152 153 151 CONECT 164 163 CONECT 165 166 167 163 MODEL 5 HETATM 1 N DNP A 1 1.358 -0.027 -0.041 1.00 0.00 N N HETATM 2 H DNP A 1 1.712 -0.934 -0.331 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.863 0.252 1.321 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.475 -0.602 1.684 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.492 1.170 1.288 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.016 0.409 2.022 1.00 0.00 H H HETATM 7 CA DNP A 1 1.845 0.995 -1.013 1.00 0.00 C C HETATM 8 CB DNP A 1 1.191 0.759 -2.376 1.00 0.00 C C HETATM 9 CG DNP A 1 1.513 1.808 -3.414 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.894 1.397 -4.681 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.190 2.335 -5.658 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.498 2.000 -6.672 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.960 0.312 -4.915 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.428 3.162 -3.123 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.720 4.099 -4.101 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.102 3.686 -5.367 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.339 4.436 -6.151 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.648 5.183 -3.870 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.125 3.496 -2.109 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.086 0.711 -2.244 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.552 -0.222 -2.760 1.00 0.00 H H HETATM 22 HA DNP A 1 1.575 2.004 -0.624 1.00 0.00 H H HETATM 23 C DNP A 1 3.353 0.910 -1.194 1.00 0.00 C C HETATM 24 O DNP A 1 3.860 -0.208 -1.292 1.00 0.00 O O ATOM 25 N ILE A 2 4.060 2.033 -1.254 1.00 0.00 N N ATOM 26 H ILE A 2 3.599 2.893 -1.170 1.00 0.00 H H ATOM 27 CA ILE A 2 5.506 2.016 -1.439 1.00 0.00 C C ATOM 28 HA ILE A 2 5.784 1.037 -1.802 1.00 0.00 H H ATOM 29 CB ILE A 2 5.952 3.062 -2.478 1.00 0.00 C C ATOM 30 HB ILE A 2 7.014 2.950 -2.635 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.250 2.823 -3.806 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.625 1.914 -4.253 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.187 2.728 -3.639 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.438 3.655 -4.468 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.668 4.475 -1.965 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.583 4.452 -0.891 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.487 5.123 -2.243 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.393 5.074 -2.519 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.484 5.189 -3.589 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.562 4.422 -2.295 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.224 6.041 -2.067 1.00 0.00 H H ATOM 42 C ILE A 2 6.232 2.280 -0.125 1.00 0.00 C C ATOM 43 O ILE A 2 7.377 2.732 -0.116 1.00 0.00 O O ATOM 44 N SER A 3 5.559 1.992 0.985 1.00 0.00 N N ATOM 45 H SER A 3 4.649 1.634 0.913 1.00 0.00 H H ATOM 46 CA SER A 3 6.139 2.200 2.307 1.00 0.00 C C ATOM 47 HA SER A 3 5.543 1.651 3.020 1.00 0.00 H H ATOM 48 CB SER A 3 7.575 1.672 2.345 1.00 0.00 C C ATOM 49 1HB SER A 3 7.763 1.083 1.461 1.00 0.00 H H ATOM 50 2HB SER A 3 8.261 2.506 2.376 1.00 0.00 H H ATOM 51 OG SER A 3 7.789 0.861 3.488 1.00 0.00 O O ATOM 52 HG SER A 3 7.480 1.323 4.271 1.00 0.00 H H ATOM 53 C SER A 3 6.119 3.678 2.683 1.00 0.00 C C ATOM 54 O SER A 3 5.583 4.057 3.723 1.00 0.00 O O HETATM 55 N DGN A 4 6.707 4.508 1.827 1.00 0.00 N N HETATM 56 H DGN A 4 7.117 4.145 1.014 1.00 0.00 H H HETATM 57 CA DGN A 4 6.757 5.956 2.071 1.00 0.00 C C HETATM 58 CB DGN A 4 7.726 6.247 3.217 1.00 0.00 C C HETATM 59 CG DGN A 4 9.087 5.624 2.907 1.00 0.00 C C HETATM 60 CD DGN A 4 9.662 6.259 1.668 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.004 7.422 1.686 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.798 5.536 0.539 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.405 5.849 -0.289 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.291 4.700 0.555 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.762 5.790 3.747 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.968 4.553 2.744 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.837 7.324 3.335 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.333 5.820 4.141 1.00 0.00 H H HETATM 69 HA DGN A 4 7.100 6.463 1.169 1.00 0.00 H H HETATM 70 C DGN A 4 5.383 6.451 2.435 1.00 0.00 C C HETATM 71 O DGN A 4 5.208 7.146 3.435 1.00 0.00 O O HETATM 72 N DAI A 5 4.395 6.093 1.621 1.00 0.00 N N HETATM 73 H DAI A 5 4.598 5.538 0.839 1.00 0.00 H H HETATM 74 CA DAI A 5 3.008 6.510 1.864 1.00 0.00 C C HETATM 75 CB DAI A 5 2.065 5.679 0.990 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.182 6.137 -0.465 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.185 5.266 -1.121 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.336 6.777 -0.714 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.109 6.694 -0.597 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.445 4.202 1.093 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.425 3.770 2.560 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.939 2.798 2.647 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.448 3.699 2.931 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.876 4.505 3.149 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.730 3.602 0.528 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.445 4.054 0.684 1.00 0.00 H H HETATM 87 HB DAI A 5 1.039 5.815 1.332 1.00 0.00 H H HETATM 88 HA DAI A 5 2.760 6.357 2.914 1.00 0.00 H H HETATM 89 C DAI A 5 2.854 7.970 1.520 1.00 0.00 C C HETATM 90 O DAI A 5 3.842 8.676 1.315 1.00 0.00 O O ATOM 91 N ILE A 6 1.609 8.429 1.454 1.00 0.00 N N ATOM 92 H ILE A 6 0.864 7.817 1.628 1.00 0.00 H H ATOM 93 CA ILE A 6 1.325 9.822 1.132 1.00 0.00 C C ATOM 94 HA ILE A 6 2.203 10.405 1.372 1.00 0.00 H H ATOM 95 CB ILE A 6 1.018 10.002 -0.366 1.00 0.00 C C ATOM 96 HB ILE A 6 1.928 9.831 -0.920 1.00 0.00 H H ATOM 97 CG2 ILE A 6 -0.013 8.981 -0.822 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.425 8.336 -1.569 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.330 8.388 0.023 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.866 9.493 -1.242 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.525 11.425 -0.640 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.553 11.428 -0.656 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.872 12.076 0.149 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.011 11.989 -1.957 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.687 13.015 -2.051 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.089 11.946 -1.992 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.601 11.407 -2.771 1.00 0.00 H H ATOM 108 C ILE A 6 0.148 10.346 1.948 1.00 0.00 C C ATOM 109 O ILE A 6 0.128 11.509 2.351 1.00 0.00 O O ATOM 110 N SER A 7 -0.830 9.479 2.189 1.00 0.00 N N ATOM 111 H SER A 7 -0.756 8.566 1.840 1.00 0.00 H H ATOM 112 CA SER A 7 -2.013 9.855 2.955 1.00 0.00 C C ATOM 113 HA SER A 7 -2.081 10.933 2.952 1.00 0.00 H H ATOM 114 CB SER A 7 -3.271 9.274 2.308 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.179 8.201 2.247 1.00 0.00 H H ATOM 116 2HB SER A 7 -4.132 9.528 2.910 1.00 0.00 H H ATOM 117 OG SER A 7 -3.458 9.791 1.002 1.00 0.00 O O ATOM 118 HG SER A 7 -2.823 9.391 0.404 1.00 0.00 H H ATOM 119 C SER A 7 -1.901 9.373 4.398 1.00 0.00 C C ATOM 120 O SER A 7 -1.371 8.295 4.664 1.00 0.00 O O HETATM 121 N DTH A 8 -2.403 10.181 5.326 1.00 0.00 N N HETATM 122 H DTH A 8 -2.813 11.028 5.051 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.359 9.836 6.753 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.936 10.025 7.281 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.449 11.435 6.940 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.141 11.404 6.024 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.308 12.091 6.797 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.166 11.814 7.756 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.071 9.063 6.674 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.928 9.889 8.363 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.041 10.483 7.305 1.00 0.00 H H HETATM 132 C DTH A 8 -2.775 8.398 6.935 1.00 0.00 C C HETATM 133 O DTH A 8 -2.219 7.682 7.767 1.00 0.00 O O ATOM 134 N ALA A 9 -3.760 7.969 6.153 1.00 0.00 N N ATOM 135 H ALA A 9 -4.163 8.588 5.509 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.254 6.600 6.228 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.828 6.501 7.139 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.177 6.306 5.055 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.881 7.117 4.940 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.591 6.207 4.153 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.713 5.387 5.240 1.00 0.00 H H ATOM 142 C ALA A 9 -3.101 5.602 6.260 1.00 0.00 C C ATOM 143 O ALA A 9 -2.917 4.816 7.164 1.00 0.00 O O HETATM 144 N END A 10 -2.243 5.626 5.179 1.00 0.00 N N HETATM 145 H END A 10 -2.446 6.328 4.419 1.00 0.00 H H HETATM 146 CA END A 10 -1.105 4.694 5.134 1.00 0.00 C C HETATM 147 CB END A 10 -0.665 4.487 3.670 1.00 0.00 C C HETATM 148 CG END A 10 -1.798 4.546 2.627 1.00 0.00 C C HETATM 149 CD END A 10 -1.238 4.293 1.214 1.00 0.00 C C HETATM 150 ND END A 10 -1.840 2.998 0.858 1.00 0.00 N N HETATM 151 CZ END A 10 -2.727 2.635 1.850 1.00 0.00 C C HETATM 152 NZ END A 10 -3.445 1.554 1.787 1.00 0.00 N N HETATM 153 HZ END A 10 -4.109 1.316 2.570 1.00 0.00 H H HETATM 154 NG END A 10 -2.790 3.506 2.913 1.00 0.00 N N HETATM 155 HNG END A 10 -3.436 3.401 3.739 1.00 0.00 H H HETATM 156 HND END A 10 -1.660 2.408 0.005 1.00 0.00 H H HETATM 157 1HD END A 10 -1.555 5.078 0.496 1.00 0.00 H H HETATM 158 2HD END A 10 -0.129 4.217 1.215 1.00 0.00 H H HETATM 159 HG END A 10 -2.270 5.554 2.670 1.00 0.00 H H HETATM 160 2HB END A 10 0.075 5.275 3.418 1.00 0.00 H H HETATM 161 3HB END A 10 -0.182 3.488 3.594 1.00 0.00 H H HETATM 162 HA END A 10 -1.414 3.718 5.574 1.00 0.00 H H HETATM 163 C END A 10 0.050 5.261 5.933 1.00 0.00 C C HETATM 164 O END A 10 0.673 4.446 6.615 1.00 0.00 O O ATOM 165 N ILE A 11 0.371 6.548 5.869 1.00 0.00 N N ATOM 166 H ILE A 11 -0.164 7.147 5.308 1.00 0.00 H H ATOM 167 CA ILE A 11 1.499 7.092 6.616 1.00 0.00 C C ATOM 168 HA ILE A 11 1.656 6.467 7.484 1.00 0.00 H H ATOM 169 CB ILE A 11 2.788 7.082 5.773 1.00 0.00 C C ATOM 170 HB ILE A 11 2.608 7.650 4.873 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.924 7.750 6.534 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.858 7.270 6.283 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.973 8.794 6.263 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.747 7.661 7.596 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.165 5.649 5.394 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.309 5.162 4.953 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.970 5.675 4.672 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.621 4.812 6.569 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 3.483 5.370 7.483 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.042 3.902 6.610 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 4.667 4.568 6.452 1.00 0.00 H H ATOM 182 C ILE A 11 1.218 8.517 7.078 1.00 0.00 C C ATOM 183 O ILE A 11 1.644 8.927 8.157 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 7 25 24 CONECT 3 1 5 4 6 CONECT 7 8 1 22 23 CONECT 8 9 7 21 20 CONECT 10 11 9 13 CONECT 14 15 9 19 CONECT 11 12 10 16 CONECT 15 14 16 18 CONECT 9 8 10 14 CONECT 16 11 15 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 2 3 7 CONECT 24 23 CONECT 25 26 27 23 CONECT 53 54 46 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 71 72 CONECT 57 58 70 69 55 CONECT 58 57 59 68 67 CONECT 60 61 59 62 CONECT 59 58 60 65 66 CONECT 56 55 CONECT 69 57 CONECT 55 57 56 53 CONECT 62 64 60 63 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 90 91 74 CONECT 74 89 88 72 75 CONECT 75 80 87 74 76 CONECT 81 82 84 80 83 CONECT 80 85 81 86 75 CONECT 76 78 79 77 75 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 74 70 CONECT 90 89 CONECT 91 89 93 92 CONECT 119 121 120 112 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 133 123 134 CONECT 123 121 124 131 132 CONECT 124 129 125 130 123 CONECT 125 127 124 126 128 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 122 119 123 CONECT 133 132 CONECT 129 124 CONECT 142 136 143 144 CONECT 134 132 136 135 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 146 165 CONECT 146 163 147 144 162 CONECT 147 161 160 146 148 CONECT 149 157 150 158 148 CONECT 148 149 147 154 159 CONECT 151 152 154 150 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 145 142 146 CONECT 150 149 156 151 CONECT 154 155 151 148 CONECT 152 151 153 CONECT 164 163 CONECT 165 163 167 166 MODEL 6 HETATM 1 N DNP A 1 1.354 -0.035 -0.036 1.00 0.00 N N HETATM 2 H DNP A 1 1.706 -0.943 -0.321 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.853 0.247 1.328 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.460 -0.608 1.696 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.485 1.162 1.295 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.002 0.409 2.024 1.00 0.00 H H HETATM 7 CA DNP A 1 1.849 0.983 -1.009 1.00 0.00 C C HETATM 8 CB DNP A 1 1.200 0.745 -2.374 1.00 0.00 C C HETATM 9 CG DNP A 1 1.533 1.788 -3.414 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.922 1.370 -4.677 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.228 2.303 -5.656 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.541 1.962 -6.666 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.985 0.284 -4.905 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.451 3.144 -3.130 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.753 4.076 -4.110 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.142 3.655 -5.372 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.387 4.401 -6.158 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.684 5.161 -3.884 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.142 3.483 -2.119 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.094 0.704 -2.247 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.558 -0.239 -2.752 1.00 0.00 H H HETATM 22 HA DNP A 1 1.580 1.994 -0.624 1.00 0.00 H H HETATM 23 C DNP A 1 3.357 0.892 -1.182 1.00 0.00 C C HETATM 24 O DNP A 1 3.861 -0.228 -1.274 1.00 0.00 O O ATOM 25 N ILE A 2 4.068 2.013 -1.242 1.00 0.00 N N ATOM 26 H ILE A 2 3.610 2.875 -1.162 1.00 0.00 H H ATOM 27 CA ILE A 2 5.515 1.991 -1.420 1.00 0.00 C C ATOM 28 HA ILE A 2 5.791 1.009 -1.778 1.00 0.00 H H ATOM 29 CB ILE A 2 5.970 3.031 -2.460 1.00 0.00 C C ATOM 30 HB ILE A 2 7.032 2.915 -2.612 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.272 2.790 -3.791 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.650 1.881 -4.236 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.209 2.694 -3.628 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.462 3.621 -4.453 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.688 4.447 -1.954 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.598 4.428 -0.880 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.511 5.091 -2.231 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.418 5.048 -2.515 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.514 5.160 -3.585 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.584 4.400 -2.293 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.250 6.017 -2.067 1.00 0.00 H H ATOM 42 C ILE A 2 6.235 2.256 -0.103 1.00 0.00 C C ATOM 43 O ILE A 2 7.382 2.704 -0.090 1.00 0.00 O O ATOM 44 N SER A 3 5.556 1.975 1.004 1.00 0.00 N N ATOM 45 H SER A 3 4.646 1.620 0.929 1.00 0.00 H H ATOM 46 CA SER A 3 6.131 2.185 2.328 1.00 0.00 C C ATOM 47 HA SER A 3 5.530 1.641 3.041 1.00 0.00 H H ATOM 48 CB SER A 3 7.564 1.653 2.375 1.00 0.00 C C ATOM 49 1HB SER A 3 7.756 1.065 1.491 1.00 0.00 H H ATOM 50 2HB SER A 3 8.253 2.484 2.411 1.00 0.00 H H ATOM 51 OG SER A 3 7.769 0.840 3.518 1.00 0.00 O O ATOM 52 HG SER A 3 8.611 1.062 3.922 1.00 0.00 H H ATOM 53 C SER A 3 6.113 3.665 2.699 1.00 0.00 C C ATOM 54 O SER A 3 5.574 4.050 3.735 1.00 0.00 O O HETATM 55 N DGN A 4 6.708 4.490 1.843 1.00 0.00 N N HETATM 56 H DGN A 4 7.121 4.123 1.033 1.00 0.00 H H HETATM 57 CA DGN A 4 6.762 5.939 2.082 1.00 0.00 C C HETATM 58 CB DGN A 4 7.726 6.231 3.231 1.00 0.00 C C HETATM 59 CG DGN A 4 9.087 5.603 2.930 1.00 0.00 C C HETATM 60 CD DGN A 4 9.669 6.232 1.692 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.155 7.341 1.747 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.654 5.563 0.522 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.156 5.913 -0.232 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.142 4.729 0.434 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.758 5.769 3.772 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.965 4.532 2.769 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.840 7.308 3.346 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.327 5.808 4.155 1.00 0.00 H H HETATM 69 HA DGN A 4 7.111 6.442 1.180 1.00 0.00 H H HETATM 70 C DGN A 4 5.387 6.440 2.438 1.00 0.00 C C HETATM 71 O DGN A 4 5.210 7.139 3.434 1.00 0.00 O O HETATM 72 N DAI A 5 4.403 6.082 1.620 1.00 0.00 N N HETATM 73 H DAI A 5 4.607 5.523 0.841 1.00 0.00 H H HETATM 74 CA DAI A 5 3.015 6.504 1.855 1.00 0.00 C C HETATM 75 CB DAI A 5 2.074 5.674 0.980 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.200 6.126 -0.477 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.202 5.252 -1.130 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.356 6.767 -0.732 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.129 6.679 -0.606 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.448 4.195 1.089 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.421 3.769 2.558 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.930 2.799 2.646 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.441 3.696 2.934 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.871 4.508 3.141 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.735 3.596 0.523 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.450 4.043 0.686 1.00 0.00 H H HETATM 87 HB DAI A 5 1.047 5.814 1.316 1.00 0.00 H H HETATM 88 HA DAI A 5 2.763 6.356 2.904 1.00 0.00 H H HETATM 89 C DAI A 5 2.868 7.963 1.505 1.00 0.00 C C HETATM 90 O DAI A 5 3.859 8.666 1.302 1.00 0.00 O O ATOM 91 N ILE A 6 1.625 8.427 1.432 1.00 0.00 N N ATOM 92 H ILE A 6 0.877 7.818 1.604 1.00 0.00 H H ATOM 93 CA ILE A 6 1.347 9.820 1.104 1.00 0.00 C C ATOM 94 HA ILE A 6 2.226 10.400 1.346 1.00 0.00 H H ATOM 95 CB ILE A 6 1.048 9.995 -0.396 1.00 0.00 C C ATOM 96 HB ILE A 6 1.959 9.819 -0.946 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.015 8.976 -0.853 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.454 8.327 -1.596 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.308 8.387 -0.008 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.834 9.489 -1.280 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.561 11.418 -0.678 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.518 11.426 -0.699 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.906 12.071 0.110 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.055 11.976 -1.995 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.719 12.997 -2.102 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.133 11.947 -2.017 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.662 11.382 -2.807 1.00 0.00 H H ATOM 108 C ILE A 6 0.168 10.350 1.912 1.00 0.00 C C ATOM 109 O ILE A 6 0.149 11.515 2.311 1.00 0.00 O O ATOM 110 N SER A 7 -0.814 9.487 2.152 1.00 0.00 N N ATOM 111 H SER A 7 -0.741 8.573 1.807 1.00 0.00 H H ATOM 112 CA SER A 7 -1.999 9.870 2.911 1.00 0.00 C C ATOM 113 HA SER A 7 -2.064 10.947 2.904 1.00 0.00 H H ATOM 114 CB SER A 7 -3.257 9.291 2.260 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.625 9.982 1.517 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.014 8.350 1.787 1.00 0.00 H H ATOM 117 OG SER A 7 -4.274 9.070 3.221 1.00 0.00 O O ATOM 118 HG SER A 7 -4.610 9.914 3.532 1.00 0.00 H H ATOM 119 C SER A 7 -1.896 9.392 4.356 1.00 0.00 C C ATOM 120 O SER A 7 -1.371 8.313 4.628 1.00 0.00 O O HETATM 121 N DTH A 8 -2.400 10.205 5.279 1.00 0.00 N N HETATM 122 H DTH A 8 -2.805 11.052 4.999 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.364 9.864 6.708 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.943 10.050 7.242 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.449 11.457 6.899 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.186 11.414 6.014 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.304 12.103 6.700 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.121 11.857 7.737 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.078 9.083 6.642 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.940 9.918 8.324 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.046 10.515 7.254 1.00 0.00 H H HETATM 132 C DTH A 8 -2.786 8.429 6.892 1.00 0.00 C C HETATM 133 O DTH A 8 -2.236 7.713 7.729 1.00 0.00 O O ATOM 134 N ALA A 9 -3.768 8.000 6.107 1.00 0.00 N N ATOM 135 H ALA A 9 -4.166 8.618 5.459 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.267 6.633 6.184 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.845 6.539 7.092 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.185 6.338 5.007 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.886 7.151 4.886 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.596 6.234 4.108 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.725 5.422 5.192 1.00 0.00 H H ATOM 142 C ALA A 9 -3.118 5.631 6.225 1.00 0.00 C C ATOM 143 O ALA A 9 -2.940 4.847 7.132 1.00 0.00 O O HETATM 144 N END A 10 -2.254 5.649 5.147 1.00 0.00 N N HETATM 145 H END A 10 -2.452 6.348 4.385 1.00 0.00 H H HETATM 146 CA END A 10 -1.119 4.713 5.111 1.00 0.00 C C HETATM 147 CB END A 10 -0.673 4.499 3.650 1.00 0.00 C C HETATM 148 CG END A 10 -1.800 4.559 2.601 1.00 0.00 C C HETATM 149 CD END A 10 -1.234 4.299 1.192 1.00 0.00 C C HETATM 150 ND END A 10 -1.840 3.005 0.837 1.00 0.00 N N HETATM 151 CZ END A 10 -2.733 2.648 1.826 1.00 0.00 C C HETATM 152 NZ END A 10 -3.454 1.570 1.763 1.00 0.00 N N HETATM 153 HZ END A 10 -4.122 1.336 2.544 1.00 0.00 H H HETATM 154 NG END A 10 -2.798 3.523 2.886 1.00 0.00 N N HETATM 155 HNG END A 10 -3.448 3.423 3.709 1.00 0.00 H H HETATM 156 HND END A 10 -1.657 2.411 -0.013 1.00 0.00 H H HETATM 157 1HD END A 10 -1.545 5.083 0.469 1.00 0.00 H H HETATM 158 2HD END A 10 -0.126 4.219 1.199 1.00 0.00 H H HETATM 159 HG END A 10 -2.270 5.569 2.639 1.00 0.00 H H HETATM 160 2HB END A 10 0.070 5.285 3.399 1.00 0.00 H H HETATM 161 3HB END A 10 -0.193 3.498 3.580 1.00 0.00 H H HETATM 162 HA END A 10 -1.434 3.739 5.552 1.00 0.00 H H HETATM 163 C END A 10 0.034 5.278 5.914 1.00 0.00 C C HETATM 164 O END A 10 0.651 4.464 6.601 1.00 0.00 O O ATOM 165 N ILE A 11 0.360 6.564 5.847 1.00 0.00 N N ATOM 166 H ILE A 11 -0.170 7.163 5.282 1.00 0.00 H H ATOM 167 CA ILE A 11 1.486 7.106 6.597 1.00 0.00 C C ATOM 168 HA ILE A 11 1.636 6.484 7.468 1.00 0.00 H H ATOM 169 CB ILE A 11 2.779 7.090 5.761 1.00 0.00 C C ATOM 170 HB ILE A 11 2.605 7.655 4.858 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.913 7.757 6.525 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 3.758 8.826 6.538 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.931 7.385 7.539 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 4.852 7.535 6.043 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.153 5.654 5.388 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.298 5.169 4.946 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.961 5.675 4.670 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.602 4.821 6.568 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 3.445 5.375 7.481 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.032 3.904 6.600 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 4.652 4.588 6.466 1.00 0.00 H H ATOM 182 C ILE A 11 1.207 8.534 7.053 1.00 0.00 C C ATOM 183 O ILE A 11 1.632 8.947 8.132 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 25 24 7 CONECT 3 4 1 5 6 CONECT 7 22 23 1 8 CONECT 8 20 21 7 9 CONECT 10 11 13 9 CONECT 14 15 19 9 CONECT 11 16 12 10 CONECT 15 16 18 14 CONECT 9 14 8 10 CONECT 16 15 11 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 3 2 7 CONECT 24 23 CONECT 25 27 23 26 CONECT 53 54 46 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 72 71 CONECT 57 58 55 70 69 CONECT 58 57 59 67 68 CONECT 60 59 61 62 CONECT 59 60 58 65 66 CONECT 56 55 CONECT 69 57 CONECT 55 57 53 56 CONECT 62 60 63 64 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 91 90 CONECT 74 75 89 72 88 CONECT 75 74 80 87 76 CONECT 81 82 80 84 83 CONECT 80 85 81 75 86 CONECT 76 77 78 79 75 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 70 74 73 CONECT 90 89 CONECT 91 92 93 89 CONECT 119 112 120 121 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 134 133 CONECT 123 124 121 132 131 CONECT 124 129 123 130 125 CONECT 125 128 124 126 127 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 119 122 123 CONECT 133 132 CONECT 129 124 CONECT 142 136 143 144 CONECT 134 136 135 132 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 146 165 CONECT 146 147 162 163 144 CONECT 147 146 148 161 160 CONECT 149 157 148 158 150 CONECT 148 159 154 147 149 CONECT 151 152 154 150 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 145 146 CONECT 150 151 156 149 CONECT 154 151 155 148 CONECT 152 151 153 CONECT 164 163 CONECT 165 166 167 163 MODEL 7 HETATM 1 N DNP A 1 1.359 -0.022 -0.023 1.00 0.00 N N HETATM 2 H DNP A 1 1.711 -0.930 -0.308 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.860 0.262 1.339 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.467 -0.593 1.708 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.493 1.177 1.305 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.010 0.425 2.037 1.00 0.00 H H HETATM 7 CA DNP A 1 1.853 0.995 -0.998 1.00 0.00 C C HETATM 8 CB DNP A 1 1.201 0.756 -2.362 1.00 0.00 C C HETATM 9 CG DNP A 1 1.532 1.799 -3.402 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.917 1.381 -4.667 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.221 2.313 -5.646 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.532 1.973 -6.657 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.981 0.295 -4.895 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.450 3.155 -3.118 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.749 4.086 -4.100 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.135 3.666 -5.362 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.378 4.412 -6.149 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.680 5.172 -3.874 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.144 3.494 -2.107 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.096 0.713 -2.233 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.560 -0.228 -2.740 1.00 0.00 H H HETATM 22 HA DNP A 1 1.584 2.006 -0.613 1.00 0.00 H H HETATM 23 C DNP A 1 3.360 0.904 -1.174 1.00 0.00 C C HETATM 24 O DNP A 1 3.864 -0.216 -1.265 1.00 0.00 O O ATOM 25 N ILE A 2 4.071 2.025 -1.235 1.00 0.00 N N ATOM 26 H ILE A 2 3.613 2.887 -1.156 1.00 0.00 H H ATOM 27 CA ILE A 2 5.517 2.003 -1.416 1.00 0.00 C C ATOM 28 HA ILE A 2 5.793 1.021 -1.773 1.00 0.00 H H ATOM 29 CB ILE A 2 5.971 3.043 -2.457 1.00 0.00 C C ATOM 30 HB ILE A 2 7.033 2.927 -2.610 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.271 2.801 -3.787 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.645 1.889 -4.229 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.208 2.710 -3.622 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.464 3.629 -4.451 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.689 4.459 -1.951 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.601 4.440 -0.877 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.511 5.103 -2.230 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.418 5.060 -2.511 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.513 5.171 -3.581 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.585 4.412 -2.288 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.251 6.029 -2.063 1.00 0.00 H H ATOM 42 C ILE A 2 6.240 2.270 -0.100 1.00 0.00 C C ATOM 43 O ILE A 2 7.387 2.718 -0.089 1.00 0.00 O O ATOM 44 N SER A 3 5.563 1.989 1.009 1.00 0.00 N N ATOM 45 H SER A 3 4.652 1.634 0.935 1.00 0.00 H H ATOM 46 CA SER A 3 6.139 2.200 2.331 1.00 0.00 C C ATOM 47 HA SER A 3 5.539 1.656 3.045 1.00 0.00 H H ATOM 48 CB SER A 3 7.573 1.668 2.377 1.00 0.00 C C ATOM 49 1HB SER A 3 7.764 1.079 1.492 1.00 0.00 H H ATOM 50 2HB SER A 3 8.262 2.500 2.412 1.00 0.00 H H ATOM 51 OG SER A 3 7.779 0.855 3.519 1.00 0.00 O O ATOM 52 HG SER A 3 7.001 0.314 3.672 1.00 0.00 H H ATOM 53 C SER A 3 6.122 3.680 2.701 1.00 0.00 C C ATOM 54 O SER A 3 5.585 4.065 3.738 1.00 0.00 O O HETATM 55 N DGN A 4 6.716 4.505 1.844 1.00 0.00 N N HETATM 56 H DGN A 4 7.127 4.137 1.034 1.00 0.00 H H HETATM 57 CA DGN A 4 6.770 5.954 2.082 1.00 0.00 C C HETATM 58 CB DGN A 4 7.735 6.246 3.230 1.00 0.00 C C HETATM 59 CG DGN A 4 9.096 5.618 2.927 1.00 0.00 C C HETATM 60 CD DGN A 4 9.676 6.246 1.687 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.212 7.332 1.752 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.603 5.603 0.505 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.072 5.971 -0.216 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.084 4.771 0.376 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.769 5.785 3.768 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.974 4.547 2.767 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.850 7.324 3.344 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.338 5.825 4.154 1.00 0.00 H H HETATM 69 HA DGN A 4 7.117 6.456 1.179 1.00 0.00 H H HETATM 70 C DGN A 4 5.396 6.454 2.440 1.00 0.00 C C HETATM 71 O DGN A 4 5.220 7.154 3.436 1.00 0.00 O O HETATM 72 N DAI A 5 4.410 6.096 1.624 1.00 0.00 N N HETATM 73 H DAI A 5 4.613 5.537 0.845 1.00 0.00 H H HETATM 74 CA DAI A 5 3.023 6.518 1.861 1.00 0.00 C C HETATM 75 CB DAI A 5 2.080 5.686 0.988 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.203 6.138 -0.469 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.205 5.264 -1.122 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.359 6.779 -0.724 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.132 6.691 -0.601 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.455 4.208 1.098 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.429 3.783 2.567 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.939 2.813 2.657 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.450 3.710 2.941 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.881 4.523 3.151 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.740 3.608 0.534 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.456 4.056 0.693 1.00 0.00 H H HETATM 87 HB DAI A 5 1.053 5.827 1.326 1.00 0.00 H H HETATM 88 HA DAI A 5 2.771 6.370 2.910 1.00 0.00 H H HETATM 89 C DAI A 5 2.875 7.977 1.510 1.00 0.00 C C HETATM 90 O DAI A 5 3.865 8.679 1.305 1.00 0.00 O O ATOM 91 N ILE A 6 1.631 8.440 1.439 1.00 0.00 N N ATOM 92 H ILE A 6 0.884 7.831 1.613 1.00 0.00 H H ATOM 93 CA ILE A 6 1.353 9.832 1.110 1.00 0.00 C C ATOM 94 HA ILE A 6 2.232 10.413 1.350 1.00 0.00 H H ATOM 95 CB ILE A 6 1.050 10.007 -0.390 1.00 0.00 C C ATOM 96 HB ILE A 6 1.961 9.830 -0.941 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.017 8.987 -0.844 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.455 8.337 -1.587 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.304 8.399 0.003 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.833 9.499 -1.270 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.562 11.429 -0.672 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.516 11.436 -0.691 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.909 12.083 0.116 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.054 11.987 -1.990 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.752 13.020 -2.079 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.130 11.920 -2.031 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.627 11.417 -2.803 1.00 0.00 H H ATOM 108 C ILE A 6 0.175 10.364 1.920 1.00 0.00 C C ATOM 109 O ILE A 6 0.157 11.528 2.318 1.00 0.00 O O ATOM 110 N SER A 7 -0.807 9.501 2.162 1.00 0.00 N N ATOM 111 H SER A 7 -0.734 8.586 1.818 1.00 0.00 H H ATOM 112 CA SER A 7 -1.990 9.883 2.923 1.00 0.00 C C ATOM 113 HA SER A 7 -2.055 10.961 2.916 1.00 0.00 H H ATOM 114 CB SER A 7 -3.249 9.304 2.274 1.00 0.00 C C ATOM 115 1HB SER A 7 -4.118 9.634 2.823 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.316 9.650 1.253 1.00 0.00 H H ATOM 117 OG SER A 7 -3.218 7.888 2.276 1.00 0.00 O O ATOM 118 HG SER A 7 -4.067 7.548 1.982 1.00 0.00 H H ATOM 119 C SER A 7 -1.884 9.407 4.368 1.00 0.00 C C ATOM 120 O SER A 7 -1.359 8.328 4.640 1.00 0.00 O O HETATM 121 N DTH A 8 -2.387 10.220 5.292 1.00 0.00 N N HETATM 122 H DTH A 8 -2.793 11.067 5.012 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.349 9.880 6.721 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.926 10.067 7.252 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.434 11.474 6.908 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.267 11.420 6.074 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.283 12.097 6.628 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.065 11.907 7.774 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.062 9.100 6.651 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.922 9.935 8.334 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.030 10.532 7.267 1.00 0.00 H H HETATM 132 C DTH A 8 -2.770 8.445 6.906 1.00 0.00 C C HETATM 133 O DTH A 8 -2.218 7.730 7.743 1.00 0.00 O O ATOM 134 N ALA A 9 -3.754 8.016 6.123 1.00 0.00 N N ATOM 135 H ALA A 9 -4.153 8.633 5.476 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.252 6.648 6.202 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.829 6.555 7.111 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.172 6.353 5.027 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.873 7.166 4.907 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.584 6.248 4.127 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.711 5.436 5.214 1.00 0.00 H H ATOM 142 C ALA A 9 -3.103 5.646 6.242 1.00 0.00 C C ATOM 143 O ALA A 9 -2.923 4.864 7.149 1.00 0.00 O O HETATM 144 N END A 10 -2.241 5.664 5.162 1.00 0.00 N N HETATM 145 H END A 10 -2.440 6.363 4.400 1.00 0.00 H H HETATM 146 CA END A 10 -1.106 4.728 5.125 1.00 0.00 C C HETATM 147 CB END A 10 -0.662 4.513 3.663 1.00 0.00 C C HETATM 148 CG END A 10 -1.791 4.572 2.616 1.00 0.00 C C HETATM 149 CD END A 10 -1.228 4.312 1.206 1.00 0.00 C C HETATM 150 ND END A 10 -1.834 3.017 0.854 1.00 0.00 N N HETATM 151 CZ END A 10 -2.725 2.661 1.844 1.00 0.00 C C HETATM 152 NZ END A 10 -3.446 1.582 1.783 1.00 0.00 N N HETATM 153 HZ END A 10 -4.113 1.349 2.565 1.00 0.00 H H HETATM 154 NG END A 10 -2.788 3.536 2.903 1.00 0.00 N N HETATM 155 HNG END A 10 -3.437 3.436 3.728 1.00 0.00 H H HETATM 156 HND END A 10 -1.653 2.423 0.004 1.00 0.00 H H HETATM 157 1HD END A 10 -1.540 5.095 0.484 1.00 0.00 H H HETATM 158 2HD END A 10 -0.120 4.232 1.211 1.00 0.00 H H HETATM 159 HG END A 10 -2.261 5.582 2.654 1.00 0.00 H H HETATM 160 2HB END A 10 0.081 5.299 3.410 1.00 0.00 H H HETATM 161 3HB END A 10 -0.182 3.513 3.593 1.00 0.00 H H HETATM 162 HA END A 10 -1.419 3.755 5.567 1.00 0.00 H H HETATM 163 C END A 10 0.049 5.294 5.925 1.00 0.00 C C HETATM 164 O END A 10 0.667 4.480 6.612 1.00 0.00 O O ATOM 165 N ILE A 11 0.374 6.580 5.858 1.00 0.00 N N ATOM 166 H ILE A 11 -0.157 7.179 5.292 1.00 0.00 H H ATOM 167 CA ILE A 11 1.502 7.123 6.605 1.00 0.00 C C ATOM 168 HA ILE A 11 1.654 6.502 7.476 1.00 0.00 H H ATOM 169 CB ILE A 11 2.793 7.106 5.766 1.00 0.00 C C ATOM 170 HB ILE A 11 2.617 7.670 4.863 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.928 7.774 6.528 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 3.905 8.839 6.348 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.811 7.587 7.585 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 4.872 7.373 6.193 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.167 5.670 5.394 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.311 5.184 4.955 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.973 5.691 4.675 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.618 4.838 6.574 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 3.473 5.398 7.487 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.042 3.926 6.614 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 4.666 4.597 6.465 1.00 0.00 H H ATOM 182 C ILE A 11 1.223 8.551 7.061 1.00 0.00 C C ATOM 183 O ILE A 11 1.611 8.951 8.158 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 24 25 7 CONECT 3 4 6 5 1 CONECT 7 22 8 23 1 CONECT 8 9 21 7 20 CONECT 10 11 13 9 CONECT 14 9 19 15 CONECT 11 10 12 16 CONECT 15 14 18 16 CONECT 9 14 10 8 CONECT 16 11 15 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 3 7 2 CONECT 24 23 CONECT 25 27 26 23 CONECT 53 46 54 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 71 72 CONECT 57 55 58 69 70 CONECT 58 57 67 68 59 CONECT 60 62 61 59 CONECT 59 58 65 60 66 CONECT 56 55 CONECT 69 57 CONECT 55 53 56 57 CONECT 62 64 60 63 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 90 91 74 CONECT 74 89 72 75 88 CONECT 75 80 76 74 87 CONECT 81 80 83 84 82 CONECT 80 75 81 85 86 CONECT 76 77 79 75 78 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 74 70 CONECT 90 89 CONECT 91 89 92 93 CONECT 119 112 120 121 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 133 134 CONECT 123 124 131 121 132 CONECT 124 123 125 129 130 CONECT 125 126 127 128 124 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 123 119 122 CONECT 133 132 CONECT 129 124 CONECT 142 136 144 143 CONECT 134 135 136 132 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 146 165 CONECT 146 147 144 162 163 CONECT 147 161 160 146 148 CONECT 149 150 157 158 148 CONECT 148 147 154 159 149 CONECT 151 150 154 152 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 145 142 146 CONECT 150 156 149 151 CONECT 154 148 151 155 CONECT 152 153 151 CONECT 164 163 CONECT 165 163 166 167 MODEL 8 HETATM 1 N DNP A 1 1.352 -0.029 -0.039 1.00 0.00 N N HETATM 2 H DNP A 1 1.702 -0.937 -0.327 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.854 0.250 1.324 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.464 -0.605 1.689 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.485 1.166 1.293 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.006 0.408 2.023 1.00 0.00 H H HETATM 7 CA DNP A 1 1.846 0.990 -1.011 1.00 0.00 C C HETATM 8 CB DNP A 1 1.196 0.753 -2.376 1.00 0.00 C C HETATM 9 CG DNP A 1 1.529 1.798 -3.415 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.918 1.381 -4.678 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.224 2.314 -5.656 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.538 1.974 -6.667 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.982 0.294 -4.907 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.447 3.153 -3.130 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.749 4.086 -4.110 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.138 3.666 -5.372 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.383 4.413 -6.157 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.679 5.171 -3.883 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.138 3.492 -2.119 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.090 0.713 -2.248 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.553 -0.231 -2.755 1.00 0.00 H H HETATM 22 HA DNP A 1 1.578 2.001 -0.624 1.00 0.00 H H HETATM 23 C DNP A 1 3.354 0.899 -1.186 1.00 0.00 C C HETATM 24 O DNP A 1 3.858 -0.221 -1.279 1.00 0.00 O O ATOM 25 N ILE A 2 4.065 2.020 -1.244 1.00 0.00 N N ATOM 26 H ILE A 2 3.607 2.882 -1.163 1.00 0.00 H H ATOM 27 CA ILE A 2 5.512 1.998 -1.424 1.00 0.00 C C ATOM 28 HA ILE A 2 5.788 1.017 -1.783 1.00 0.00 H H ATOM 29 CB ILE A 2 5.965 3.040 -2.464 1.00 0.00 C C ATOM 30 HB ILE A 2 7.028 2.924 -2.616 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.267 2.800 -3.794 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.636 1.885 -4.234 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.203 2.717 -3.631 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.466 3.626 -4.460 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.684 4.455 -1.956 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.595 4.435 -0.881 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.507 5.099 -2.233 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.414 5.057 -2.515 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.508 5.169 -3.585 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.580 4.408 -2.293 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.246 6.025 -2.065 1.00 0.00 H H ATOM 42 C ILE A 2 6.234 2.263 -0.107 1.00 0.00 C C ATOM 43 O ILE A 2 7.380 2.711 -0.095 1.00 0.00 O O ATOM 44 N SER A 3 5.555 1.980 1.000 1.00 0.00 N N ATOM 45 H SER A 3 4.645 1.625 0.925 1.00 0.00 H H ATOM 46 CA SER A 3 6.131 2.189 2.324 1.00 0.00 C C ATOM 47 HA SER A 3 5.531 1.644 3.036 1.00 0.00 H H ATOM 48 CB SER A 3 7.565 1.657 2.369 1.00 0.00 C C ATOM 49 1HB SER A 3 7.757 1.071 1.483 1.00 0.00 H H ATOM 50 2HB SER A 3 8.253 2.489 2.407 1.00 0.00 H H ATOM 51 OG SER A 3 7.770 0.841 3.510 1.00 0.00 O O ATOM 52 HG SER A 3 8.680 0.923 3.802 1.00 0.00 H H ATOM 53 C SER A 3 6.114 3.669 2.696 1.00 0.00 C C ATOM 54 O SER A 3 5.576 4.052 3.733 1.00 0.00 O O HETATM 55 N DGN A 4 6.707 4.495 1.840 1.00 0.00 N N HETATM 56 H DGN A 4 7.119 4.129 1.030 1.00 0.00 H H HETATM 57 CA DGN A 4 6.762 5.943 2.080 1.00 0.00 C C HETATM 58 CB DGN A 4 7.726 6.234 3.230 1.00 0.00 C C HETATM 59 CG DGN A 4 9.087 5.607 2.926 1.00 0.00 C C HETATM 60 CD DGN A 4 9.668 6.237 1.688 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.046 7.389 1.715 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.771 5.523 0.550 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.437 5.887 -0.284 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.181 4.644 0.565 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.760 5.772 3.768 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.965 4.536 2.764 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.840 7.311 3.346 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.329 5.811 4.153 1.00 0.00 H H HETATM 69 HA DGN A 4 7.109 6.447 1.179 1.00 0.00 H H HETATM 70 C DGN A 4 5.387 6.443 2.438 1.00 0.00 C C HETATM 71 O DGN A 4 5.211 7.141 3.436 1.00 0.00 O O HETATM 72 N DAI A 5 4.402 6.087 1.621 1.00 0.00 N N HETATM 73 H DAI A 5 4.606 5.529 0.841 1.00 0.00 H H HETATM 74 CA DAI A 5 3.015 6.508 1.857 1.00 0.00 C C HETATM 75 CB DAI A 5 2.072 5.678 0.983 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.197 6.132 -0.474 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.199 5.259 -1.127 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.353 6.774 -0.727 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.126 6.686 -0.604 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.447 4.200 1.090 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.421 3.772 2.559 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.931 2.802 2.646 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.441 3.699 2.934 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.871 4.510 3.143 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.733 3.601 0.524 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.449 4.048 0.686 1.00 0.00 H H HETATM 87 HB DAI A 5 1.046 5.818 1.320 1.00 0.00 H H HETATM 88 HA DAI A 5 2.763 6.359 2.907 1.00 0.00 H H HETATM 89 C DAI A 5 2.867 7.968 1.509 1.00 0.00 C C HETATM 90 O DAI A 5 3.857 8.671 1.306 1.00 0.00 O O ATOM 91 N ILE A 6 1.623 8.431 1.438 1.00 0.00 N N ATOM 92 H ILE A 6 0.876 7.822 1.610 1.00 0.00 H H ATOM 93 CA ILE A 6 1.345 9.824 1.112 1.00 0.00 C C ATOM 94 HA ILE A 6 2.224 10.405 1.353 1.00 0.00 H H ATOM 95 CB ILE A 6 1.044 10.001 -0.388 1.00 0.00 C C ATOM 96 HB ILE A 6 1.955 9.826 -0.939 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.011 8.982 -0.845 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.450 8.334 -1.589 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.310 8.393 0.000 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.838 9.496 -1.270 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.557 11.424 -0.668 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.522 11.432 -0.689 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.902 12.077 0.121 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.049 11.984 -1.984 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.765 13.023 -2.063 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.124 11.899 -2.033 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.608 11.428 -2.800 1.00 0.00 H H ATOM 108 C ILE A 6 0.167 10.354 1.921 1.00 0.00 C C ATOM 109 O ILE A 6 0.148 11.518 2.321 1.00 0.00 O O ATOM 110 N SER A 7 -0.815 9.491 2.161 1.00 0.00 N N ATOM 111 H SER A 7 -0.742 8.576 1.815 1.00 0.00 H H ATOM 112 CA SER A 7 -1.999 9.872 2.922 1.00 0.00 C C ATOM 113 HA SER A 7 -2.064 10.950 2.917 1.00 0.00 H H ATOM 114 CB SER A 7 -3.258 9.294 2.271 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.098 9.198 1.208 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.464 8.322 2.694 1.00 0.00 H H ATOM 117 OG SER A 7 -4.377 10.135 2.491 1.00 0.00 O O ATOM 118 HG SER A 7 -5.097 9.620 2.862 1.00 0.00 H H ATOM 119 C SER A 7 -1.894 9.393 4.367 1.00 0.00 C C ATOM 120 O SER A 7 -1.370 8.313 4.637 1.00 0.00 O O HETATM 121 N DTH A 8 -2.398 10.204 5.291 1.00 0.00 N N HETATM 122 H DTH A 8 -2.803 11.052 5.013 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.361 9.861 6.719 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.939 10.047 7.252 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.446 11.455 6.911 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.129 11.424 5.985 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.302 12.118 6.784 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.185 11.825 7.719 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.074 9.081 6.650 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.935 9.914 8.334 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.043 10.512 7.267 1.00 0.00 H H HETATM 132 C DTH A 8 -2.782 8.426 6.902 1.00 0.00 C C HETATM 133 O DTH A 8 -2.232 7.709 7.737 1.00 0.00 O O ATOM 134 N ALA A 9 -3.765 7.998 6.117 1.00 0.00 N N ATOM 135 H ALA A 9 -4.164 8.617 5.471 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.264 6.631 6.193 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.841 6.536 7.102 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.183 6.338 5.016 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.884 7.151 4.897 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.594 6.235 4.117 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.723 5.421 5.201 1.00 0.00 H H ATOM 142 C ALA A 9 -3.115 5.629 6.232 1.00 0.00 C C ATOM 143 O ALA A 9 -2.936 4.845 7.138 1.00 0.00 O O HETATM 144 N END A 10 -2.252 5.649 5.153 1.00 0.00 N N HETATM 145 H END A 10 -2.450 6.349 4.392 1.00 0.00 H H HETATM 146 CA END A 10 -1.117 4.713 5.115 1.00 0.00 C C HETATM 147 CB END A 10 -0.672 4.501 3.653 1.00 0.00 C C HETATM 148 CG END A 10 -1.800 4.561 2.605 1.00 0.00 C C HETATM 149 CD END A 10 -1.236 4.303 1.196 1.00 0.00 C C HETATM 150 ND END A 10 -1.841 3.009 0.840 1.00 0.00 N N HETATM 151 CZ END A 10 -2.733 2.652 1.829 1.00 0.00 C C HETATM 152 NZ END A 10 -3.455 1.573 1.765 1.00 0.00 N N HETATM 153 HZ END A 10 -4.122 1.339 2.546 1.00 0.00 H H HETATM 154 NG END A 10 -2.798 3.525 2.890 1.00 0.00 N N HETATM 155 HNG END A 10 -3.447 3.424 3.714 1.00 0.00 H H HETATM 156 HND END A 10 -1.660 2.417 -0.011 1.00 0.00 H H HETATM 157 1HD END A 10 -1.547 5.088 0.474 1.00 0.00 H H HETATM 158 2HD END A 10 -0.127 4.224 1.201 1.00 0.00 H H HETATM 159 HG END A 10 -2.270 5.571 2.645 1.00 0.00 H H HETATM 160 2HB END A 10 0.071 5.287 3.402 1.00 0.00 H H HETATM 161 3HB END A 10 -0.192 3.500 3.581 1.00 0.00 H H HETATM 162 HA END A 10 -1.431 3.739 5.555 1.00 0.00 H H HETATM 163 C END A 10 0.037 5.277 5.917 1.00 0.00 C C HETATM 164 O END A 10 0.655 4.462 6.603 1.00 0.00 O O ATOM 165 N ILE A 11 0.362 6.563 5.852 1.00 0.00 N N ATOM 166 H ILE A 11 -0.168 7.163 5.288 1.00 0.00 H H ATOM 167 CA ILE A 11 1.489 7.104 6.602 1.00 0.00 C C ATOM 168 HA ILE A 11 1.641 6.481 7.472 1.00 0.00 H H ATOM 169 CB ILE A 11 2.782 7.089 5.764 1.00 0.00 C C ATOM 170 HB ILE A 11 2.606 7.655 4.862 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.916 7.756 6.528 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 3.884 8.823 6.362 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.806 7.554 7.583 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 4.861 7.366 6.183 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.156 5.654 5.390 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.300 5.169 4.949 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.962 5.676 4.671 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.606 4.820 6.569 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.509 5.242 6.985 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 2.832 4.810 7.320 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.802 3.809 6.240 1.00 0.00 H H ATOM 182 C ILE A 11 1.210 8.532 7.060 1.00 0.00 C C ATOM 183 O ILE A 11 1.661 8.952 8.126 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 25 24 7 CONECT 3 6 4 5 1 CONECT 7 8 1 22 23 CONECT 8 20 9 7 21 CONECT 10 13 9 11 CONECT 14 15 9 19 CONECT 11 10 16 12 CONECT 15 18 14 16 CONECT 9 10 8 14 CONECT 16 17 15 11 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 2 3 7 CONECT 24 23 CONECT 25 26 27 23 CONECT 53 46 55 54 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 71 72 CONECT 57 55 69 70 58 CONECT 58 57 67 59 68 CONECT 60 62 61 59 CONECT 59 60 65 66 58 CONECT 56 55 CONECT 69 57 CONECT 55 56 57 53 CONECT 62 60 63 64 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 90 91 74 CONECT 74 89 72 75 88 CONECT 75 76 74 80 87 CONECT 81 82 83 84 80 CONECT 80 85 81 75 86 CONECT 76 79 78 77 75 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 70 74 CONECT 90 89 CONECT 91 92 89 93 CONECT 119 112 120 121 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 133 123 134 CONECT 123 131 121 124 132 CONECT 124 125 129 123 130 CONECT 125 127 128 126 124 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 123 119 122 CONECT 133 132 CONECT 129 124 CONECT 142 143 144 136 CONECT 134 135 136 132 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 146 165 164 CONECT 146 144 147 162 163 CONECT 147 146 160 161 148 CONECT 149 157 150 158 148 CONECT 148 154 149 147 159 CONECT 151 154 150 152 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 145 146 142 CONECT 150 156 149 151 CONECT 154 151 148 155 CONECT 152 153 151 CONECT 164 163 CONECT 165 167 163 166 MODEL 9 HETATM 1 N DNP A 1 1.361 -0.034 -0.039 1.00 0.00 N N HETATM 2 H DNP A 1 1.714 -0.942 -0.324 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.860 0.249 1.324 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.471 -0.604 1.692 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.490 1.166 1.291 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.011 0.409 2.022 1.00 0.00 H H HETATM 7 CA DNP A 1 1.852 0.985 -1.012 1.00 0.00 C C HETATM 8 CB DNP A 1 1.203 0.744 -2.376 1.00 0.00 C C HETATM 9 CG DNP A 1 1.525 1.794 -3.414 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.905 1.383 -4.682 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.201 2.320 -5.659 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.507 1.985 -6.673 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.970 0.298 -4.916 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.441 3.148 -3.123 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.733 4.085 -4.102 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.113 3.671 -5.368 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.350 4.421 -6.153 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.662 5.169 -3.871 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.139 3.482 -2.109 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.098 0.693 -2.248 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.569 -0.236 -2.758 1.00 0.00 H H HETATM 22 HA DNP A 1 1.581 1.995 -0.627 1.00 0.00 H H HETATM 23 C DNP A 1 3.361 0.898 -1.187 1.00 0.00 C C HETATM 24 O DNP A 1 3.867 -0.220 -1.278 1.00 0.00 O O ATOM 25 N ILE A 2 4.069 2.021 -1.247 1.00 0.00 N N ATOM 26 H ILE A 2 3.607 2.882 -1.168 1.00 0.00 H H ATOM 27 CA ILE A 2 5.515 2.002 -1.427 1.00 0.00 C C ATOM 28 HA ILE A 2 5.793 1.022 -1.785 1.00 0.00 H H ATOM 29 CB ILE A 2 5.966 3.045 -2.466 1.00 0.00 C C ATOM 30 HB ILE A 2 7.029 2.932 -2.619 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.269 2.803 -3.797 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.650 1.896 -4.243 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.206 2.703 -3.633 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.455 3.635 -4.458 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.681 4.460 -1.959 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.591 4.439 -0.885 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.502 5.106 -2.235 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.409 5.058 -2.520 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.505 5.170 -3.590 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.577 4.408 -2.298 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.239 6.026 -2.071 1.00 0.00 H H ATOM 42 C ILE A 2 6.236 2.269 -0.110 1.00 0.00 C C ATOM 43 O ILE A 2 7.381 2.721 -0.098 1.00 0.00 O O ATOM 44 N SER A 3 5.558 1.986 0.998 1.00 0.00 N N ATOM 45 H SER A 3 4.649 1.628 0.923 1.00 0.00 H H ATOM 46 CA SER A 3 6.133 2.197 2.321 1.00 0.00 C C ATOM 47 HA SER A 3 5.534 1.650 3.034 1.00 0.00 H H ATOM 48 CB SER A 3 7.568 1.668 2.367 1.00 0.00 C C ATOM 49 1HB SER A 3 7.763 1.086 1.479 1.00 0.00 H H ATOM 50 2HB SER A 3 8.255 2.501 2.410 1.00 0.00 H H ATOM 51 OG SER A 3 7.773 0.848 3.505 1.00 0.00 O O ATOM 52 HG SER A 3 8.713 0.790 3.693 1.00 0.00 H H ATOM 53 C SER A 3 6.112 3.676 2.693 1.00 0.00 C C ATOM 54 O SER A 3 5.572 4.059 3.730 1.00 0.00 O O HETATM 55 N DGN A 4 6.705 4.503 1.838 1.00 0.00 N N HETATM 56 H DGN A 4 7.118 4.138 1.028 1.00 0.00 H H HETATM 57 CA DGN A 4 6.755 5.952 2.077 1.00 0.00 C C HETATM 58 CB DGN A 4 7.719 6.245 3.226 1.00 0.00 C C HETATM 59 CG DGN A 4 9.081 5.621 2.924 1.00 0.00 C C HETATM 60 CD DGN A 4 9.662 6.252 1.685 1.00 0.00 C C HETATM 61 OE1 DGN A 4 9.894 7.442 1.664 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.924 5.496 0.601 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.564 5.744 -0.264 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.477 4.703 0.686 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.753 5.788 3.765 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.962 4.550 2.763 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.831 7.323 3.342 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.322 5.822 4.150 1.00 0.00 H H HETATM 69 HA DGN A 4 7.102 6.456 1.175 1.00 0.00 H H HETATM 70 C DGN A 4 5.380 6.449 2.434 1.00 0.00 C C HETATM 71 O DGN A 4 5.202 7.147 3.431 1.00 0.00 O O HETATM 72 N DAI A 5 4.395 6.089 1.617 1.00 0.00 N N HETATM 73 H DAI A 5 4.600 5.531 0.838 1.00 0.00 H H HETATM 74 CA DAI A 5 3.007 6.507 1.853 1.00 0.00 C C HETATM 75 CB DAI A 5 2.067 5.675 0.979 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.191 6.128 -0.478 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.195 5.255 -1.131 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.345 6.768 -0.732 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.119 6.683 -0.608 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.445 4.197 1.087 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.420 3.770 2.556 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.932 2.799 2.644 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.440 3.700 2.931 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.868 4.507 3.140 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.733 3.596 0.522 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.447 4.048 0.683 1.00 0.00 H H HETATM 87 HB DAI A 5 1.040 5.812 1.316 1.00 0.00 H H HETATM 88 HA DAI A 5 2.755 6.357 2.903 1.00 0.00 H H HETATM 89 C DAI A 5 2.856 7.966 1.504 1.00 0.00 C C HETATM 90 O DAI A 5 3.845 8.671 1.301 1.00 0.00 O O ATOM 91 N ILE A 6 1.611 8.427 1.433 1.00 0.00 N N ATOM 92 H ILE A 6 0.865 7.816 1.605 1.00 0.00 H H ATOM 93 CA ILE A 6 1.330 9.819 1.106 1.00 0.00 C C ATOM 94 HA ILE A 6 2.207 10.401 1.347 1.00 0.00 H H ATOM 95 CB ILE A 6 1.029 9.995 -0.394 1.00 0.00 C C ATOM 96 HB ILE A 6 1.941 9.821 -0.945 1.00 0.00 H H ATOM 97 CG2 ILE A 6 -0.002 8.973 -0.851 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.439 8.325 -1.595 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.322 8.382 -0.006 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.852 9.484 -1.277 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.538 11.416 -0.675 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.540 11.421 -0.696 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.882 12.070 0.114 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.029 11.976 -1.992 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.746 13.016 -2.069 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.104 11.890 -2.041 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.586 11.422 -2.806 1.00 0.00 H H ATOM 108 C ILE A 6 0.150 10.346 1.915 1.00 0.00 C C ATOM 109 O ILE A 6 0.128 11.510 2.314 1.00 0.00 O O ATOM 110 N SER A 7 -0.830 9.481 2.154 1.00 0.00 N N ATOM 111 H SER A 7 -0.755 8.566 1.809 1.00 0.00 H H ATOM 112 CA SER A 7 -2.016 9.859 2.914 1.00 0.00 C C ATOM 113 HA SER A 7 -2.084 10.937 2.908 1.00 0.00 H H ATOM 114 CB SER A 7 -3.272 9.277 2.264 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.136 9.239 1.194 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.440 8.279 2.641 1.00 0.00 H H ATOM 117 OG SER A 7 -4.410 10.071 2.551 1.00 0.00 O O ATOM 118 HG SER A 7 -4.345 10.411 3.447 1.00 0.00 H H ATOM 119 C SER A 7 -1.910 9.382 4.359 1.00 0.00 C C ATOM 120 O SER A 7 -1.382 8.304 4.631 1.00 0.00 O O HETATM 121 N DTH A 8 -2.415 10.193 5.283 1.00 0.00 N N HETATM 122 H DTH A 8 -2.823 11.039 5.004 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.378 9.852 6.711 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.956 10.042 7.245 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.467 11.450 6.901 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.206 11.402 6.044 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.321 12.082 6.656 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.062 11.870 7.756 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.089 9.077 6.644 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.953 9.910 8.326 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.061 10.502 7.258 1.00 0.00 H H HETATM 132 C DTH A 8 -2.795 8.416 6.896 1.00 0.00 C C HETATM 133 O DTH A 8 -2.243 7.701 7.732 1.00 0.00 O O ATOM 134 N ALA A 9 -3.777 7.984 6.111 1.00 0.00 N N ATOM 135 H ALA A 9 -4.178 8.601 5.464 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.272 6.616 6.189 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.849 6.520 7.098 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.191 6.319 5.013 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.894 7.130 4.892 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.601 6.216 4.113 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.728 5.401 5.198 1.00 0.00 H H ATOM 142 C ALA A 9 -3.121 5.617 6.228 1.00 0.00 C C ATOM 143 O ALA A 9 -2.940 4.834 7.135 1.00 0.00 O O HETATM 144 N END A 10 -2.257 5.638 5.150 1.00 0.00 N N HETATM 145 H END A 10 -2.458 6.337 4.388 1.00 0.00 H H HETATM 146 CA END A 10 -1.120 4.705 5.113 1.00 0.00 C C HETATM 147 CB END A 10 -0.674 4.492 3.651 1.00 0.00 C C HETATM 148 CG END A 10 -1.803 4.549 2.603 1.00 0.00 C C HETATM 149 CD END A 10 -1.237 4.292 1.194 1.00 0.00 C C HETATM 150 ND END A 10 -1.840 2.996 0.839 1.00 0.00 N N HETATM 151 CZ END A 10 -2.731 2.637 1.829 1.00 0.00 C C HETATM 152 NZ END A 10 -3.449 1.556 1.766 1.00 0.00 N N HETATM 153 HZ END A 10 -4.116 1.321 2.547 1.00 0.00 H H HETATM 154 NG END A 10 -2.797 3.510 2.889 1.00 0.00 N N HETATM 155 HNG END A 10 -3.447 3.409 3.713 1.00 0.00 H H HETATM 156 HND END A 10 -1.656 2.403 -0.011 1.00 0.00 H H HETATM 157 1HD END A 10 -1.551 5.075 0.472 1.00 0.00 H H HETATM 158 2HD END A 10 -0.129 4.215 1.200 1.00 0.00 H H HETATM 159 HG END A 10 -2.275 5.558 2.642 1.00 0.00 H H HETATM 160 2HB END A 10 0.067 5.280 3.400 1.00 0.00 H H HETATM 161 3HB END A 10 -0.192 3.493 3.581 1.00 0.00 H H HETATM 162 HA END A 10 -1.432 3.730 5.554 1.00 0.00 H H HETATM 163 C END A 10 0.032 5.273 5.915 1.00 0.00 C C HETATM 164 O END A 10 0.652 4.460 6.602 1.00 0.00 O O ATOM 165 N ILE A 11 0.354 6.560 5.849 1.00 0.00 N N ATOM 166 H ILE A 11 -0.178 7.158 5.283 1.00 0.00 H H ATOM 167 CA ILE A 11 1.480 7.105 6.598 1.00 0.00 C C ATOM 168 HA ILE A 11 1.633 6.483 7.468 1.00 0.00 H H ATOM 169 CB ILE A 11 2.772 7.092 5.760 1.00 0.00 C C ATOM 170 HB ILE A 11 2.596 7.657 4.858 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.905 7.762 6.524 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.853 7.440 6.118 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.819 8.833 6.429 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.848 7.487 7.567 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.150 5.657 5.386 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.295 5.170 4.944 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.957 5.681 4.668 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.600 4.824 6.565 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.506 5.243 6.978 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 2.828 4.820 7.320 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.789 3.811 6.239 1.00 0.00 H H ATOM 182 C ILE A 11 1.197 8.532 7.054 1.00 0.00 C C ATOM 183 O ILE A 11 1.602 8.938 8.144 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 7 24 25 CONECT 3 6 4 5 1 CONECT 7 8 23 22 1 CONECT 8 7 20 9 21 CONECT 10 11 9 13 CONECT 14 15 19 9 CONECT 11 10 16 12 CONECT 15 14 18 16 CONECT 9 14 8 10 CONECT 16 15 11 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 2 7 3 CONECT 24 23 CONECT 25 23 27 26 CONECT 53 55 46 54 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 71 57 72 CONECT 57 55 69 70 58 CONECT 58 68 67 57 59 CONECT 60 62 59 61 CONECT 59 66 65 58 60 CONECT 56 55 CONECT 69 57 CONECT 55 56 57 53 CONECT 62 63 64 60 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 91 90 CONECT 74 75 88 89 72 CONECT 75 76 74 80 87 CONECT 81 80 84 82 83 CONECT 80 75 81 85 86 CONECT 76 75 77 78 79 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 74 70 CONECT 90 89 CONECT 91 89 92 93 CONECT 119 121 120 112 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 134 133 CONECT 123 124 121 131 132 CONECT 124 123 125 130 129 CONECT 125 124 126 127 128 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 123 122 119 CONECT 133 132 CONECT 129 124 CONECT 142 136 143 144 CONECT 134 132 136 135 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 146 164 165 CONECT 146 144 147 162 163 CONECT 147 146 148 161 160 CONECT 149 148 150 157 158 CONECT 148 147 149 159 154 CONECT 151 152 150 154 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 146 145 CONECT 150 149 156 151 CONECT 154 148 155 151 CONECT 152 153 151 CONECT 164 163 CONECT 165 167 166 163 MODEL 10 HETATM 1 N DNP A 1 1.358 -0.034 -0.038 1.00 0.00 N N HETATM 2 H DNP A 1 1.712 -0.942 -0.323 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.856 0.249 1.326 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.464 -0.606 1.696 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.488 1.165 1.294 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.005 0.410 2.022 1.00 0.00 H H HETATM 7 CA DNP A 1 1.852 0.984 -1.010 1.00 0.00 C C HETATM 8 CB DNP A 1 1.203 0.746 -2.375 1.00 0.00 C C HETATM 9 CG DNP A 1 1.535 1.789 -3.415 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.925 1.372 -4.678 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.230 2.305 -5.657 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.545 1.965 -6.667 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.991 0.286 -4.906 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.451 3.145 -3.131 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.753 4.077 -4.112 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.143 3.657 -5.373 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.387 4.404 -6.159 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.682 5.162 -3.886 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.142 3.484 -2.121 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.098 0.703 -2.249 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.562 -0.238 -2.754 1.00 0.00 H H HETATM 22 HA DNP A 1 1.581 1.995 -0.625 1.00 0.00 H H HETATM 23 C DNP A 1 3.360 0.896 -1.184 1.00 0.00 C C HETATM 24 O DNP A 1 3.865 -0.224 -1.275 1.00 0.00 O O ATOM 25 N ILE A 2 4.070 2.017 -1.242 1.00 0.00 N N ATOM 26 H ILE A 2 3.610 2.879 -1.163 1.00 0.00 H H ATOM 27 CA ILE A 2 5.516 1.997 -1.421 1.00 0.00 C C ATOM 28 HA ILE A 2 5.794 1.016 -1.779 1.00 0.00 H H ATOM 29 CB ILE A 2 5.970 3.039 -2.461 1.00 0.00 C C ATOM 30 HB ILE A 2 7.032 2.924 -2.613 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.273 2.796 -3.792 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.648 1.885 -4.234 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.209 2.705 -3.629 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.466 3.625 -4.456 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.686 4.454 -1.955 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.596 4.434 -0.880 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.508 5.099 -2.232 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.415 5.053 -2.516 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.511 5.165 -3.586 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.582 4.404 -2.294 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.246 6.022 -2.068 1.00 0.00 H H ATOM 42 C ILE A 2 6.237 2.264 -0.104 1.00 0.00 C C ATOM 43 O ILE A 2 7.382 2.714 -0.091 1.00 0.00 O O ATOM 44 N SER A 3 5.558 1.982 1.003 1.00 0.00 N N ATOM 45 H SER A 3 4.648 1.625 0.928 1.00 0.00 H H ATOM 46 CA SER A 3 6.132 2.193 2.327 1.00 0.00 C C ATOM 47 HA SER A 3 5.531 1.647 3.040 1.00 0.00 H H ATOM 48 CB SER A 3 7.566 1.663 2.375 1.00 0.00 C C ATOM 49 1HB SER A 3 7.760 1.078 1.488 1.00 0.00 H H ATOM 50 2HB SER A 3 8.254 2.495 2.415 1.00 0.00 H H ATOM 51 OG SER A 3 7.770 0.845 3.514 1.00 0.00 O O ATOM 52 HG SER A 3 8.698 0.863 3.759 1.00 0.00 H H ATOM 53 C SER A 3 6.112 3.673 2.698 1.00 0.00 C C ATOM 54 O SER A 3 5.572 4.057 3.734 1.00 0.00 O O HETATM 55 N DGN A 4 6.706 4.499 1.842 1.00 0.00 N N HETATM 56 H DGN A 4 7.119 4.132 1.033 1.00 0.00 H H HETATM 57 CA DGN A 4 6.758 5.947 2.081 1.00 0.00 C C HETATM 58 CB DGN A 4 7.721 6.240 3.231 1.00 0.00 C C HETATM 59 CG DGN A 4 9.083 5.615 2.929 1.00 0.00 C C HETATM 60 CD DGN A 4 9.665 6.245 1.692 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.057 7.392 1.723 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.751 5.536 0.548 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.181 5.755 -0.204 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.387 4.807 0.478 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.754 5.781 3.772 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.963 4.544 2.768 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.834 7.318 3.346 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.323 5.818 4.154 1.00 0.00 H H HETATM 69 HA DGN A 4 7.106 6.451 1.179 1.00 0.00 H H HETATM 70 C DGN A 4 5.382 6.446 2.437 1.00 0.00 C C HETATM 71 O DGN A 4 5.204 7.145 3.433 1.00 0.00 O O HETATM 72 N DAI A 5 4.398 6.087 1.619 1.00 0.00 N N HETATM 73 H DAI A 5 4.603 5.529 0.840 1.00 0.00 H H HETATM 74 CA DAI A 5 3.010 6.507 1.854 1.00 0.00 C C HETATM 75 CB DAI A 5 2.070 5.675 0.979 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.195 6.128 -0.478 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.199 5.254 -1.131 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.351 6.768 -0.733 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.124 6.682 -0.607 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.447 4.197 1.088 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.420 3.771 2.557 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.931 2.800 2.645 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.440 3.700 2.933 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.868 4.509 3.140 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.734 3.597 0.522 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.449 4.047 0.685 1.00 0.00 H H HETATM 87 HB DAI A 5 1.043 5.814 1.315 1.00 0.00 H H HETATM 88 HA DAI A 5 2.757 6.358 2.903 1.00 0.00 H H HETATM 89 C DAI A 5 2.861 7.966 1.504 1.00 0.00 C C HETATM 90 O DAI A 5 3.851 8.670 1.301 1.00 0.00 O O ATOM 91 N ILE A 6 1.617 8.428 1.431 1.00 0.00 N N ATOM 92 H ILE A 6 0.870 7.818 1.603 1.00 0.00 H H ATOM 93 CA ILE A 6 1.337 9.820 1.103 1.00 0.00 C C ATOM 94 HA ILE A 6 2.215 10.402 1.345 1.00 0.00 H H ATOM 95 CB ILE A 6 1.037 9.995 -0.397 1.00 0.00 C C ATOM 96 HB ILE A 6 1.949 9.820 -0.947 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.006 8.974 -0.854 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.446 8.326 -1.597 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.316 8.385 -0.008 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.844 9.486 -1.280 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.548 11.417 -0.679 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.530 11.423 -0.700 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.892 12.071 0.110 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.041 11.976 -1.995 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.743 13.011 -2.082 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.117 11.906 -2.037 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.612 11.410 -2.810 1.00 0.00 H H ATOM 108 C ILE A 6 0.157 10.349 1.911 1.00 0.00 C C ATOM 109 O ILE A 6 0.137 11.513 2.310 1.00 0.00 O O ATOM 110 N SER A 7 -0.824 9.485 2.151 1.00 0.00 N N ATOM 111 H SER A 7 -0.749 8.570 1.806 1.00 0.00 H H ATOM 112 CA SER A 7 -2.009 9.865 2.911 1.00 0.00 C C ATOM 113 HA SER A 7 -2.075 10.943 2.904 1.00 0.00 H H ATOM 114 CB SER A 7 -3.266 9.285 2.259 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.546 9.897 1.416 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.062 8.279 1.923 1.00 0.00 H H ATOM 117 OG SER A 7 -4.346 9.250 3.177 1.00 0.00 O O ATOM 118 HG SER A 7 -4.322 10.034 3.730 1.00 0.00 H H ATOM 119 C SER A 7 -1.905 9.388 4.356 1.00 0.00 C C ATOM 120 O SER A 7 -1.379 8.309 4.628 1.00 0.00 O O HETATM 121 N DTH A 8 -2.410 10.199 5.279 1.00 0.00 N N HETATM 122 H DTH A 8 -2.816 11.046 4.999 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.374 9.858 6.707 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.952 10.047 7.242 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.461 11.455 6.899 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.244 11.401 6.069 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.310 12.076 6.614 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.032 11.889 7.768 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.086 9.081 6.641 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.949 9.914 8.323 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.057 10.509 7.254 1.00 0.00 H H HETATM 132 C DTH A 8 -2.793 8.422 6.892 1.00 0.00 C C HETATM 133 O DTH A 8 -2.242 7.707 7.728 1.00 0.00 O O ATOM 134 N ALA A 9 -3.775 7.993 6.106 1.00 0.00 N N ATOM 135 H ALA A 9 -4.174 8.610 5.459 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.272 6.625 6.183 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.850 6.530 7.091 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.190 6.329 5.006 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.892 7.141 4.886 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.600 6.226 4.107 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.728 5.412 5.191 1.00 0.00 H H ATOM 142 C ALA A 9 -3.122 5.624 6.224 1.00 0.00 C C ATOM 143 O ALA A 9 -2.942 4.841 7.131 1.00 0.00 O O HETATM 144 N END A 10 -2.258 5.644 5.146 1.00 0.00 N N HETATM 145 H END A 10 -2.457 6.343 4.384 1.00 0.00 H H HETATM 146 CA END A 10 -1.122 4.710 5.110 1.00 0.00 C C HETATM 147 CB END A 10 -0.675 4.496 3.648 1.00 0.00 C C HETATM 148 CG END A 10 -1.803 4.555 2.600 1.00 0.00 C C HETATM 149 CD END A 10 -1.237 4.296 1.191 1.00 0.00 C C HETATM 150 ND END A 10 -1.840 3.001 0.836 1.00 0.00 N N HETATM 151 CZ END A 10 -2.732 2.643 1.825 1.00 0.00 C C HETATM 152 NZ END A 10 -3.452 1.563 1.762 1.00 0.00 N N HETATM 153 HZ END A 10 -4.120 1.329 2.542 1.00 0.00 H H HETATM 154 NG END A 10 -2.799 3.517 2.884 1.00 0.00 N N HETATM 155 HNG END A 10 -3.449 3.416 3.708 1.00 0.00 H H HETATM 156 HND END A 10 -1.657 2.407 -0.014 1.00 0.00 H H HETATM 157 1HD END A 10 -1.549 5.080 0.468 1.00 0.00 H H HETATM 158 2HD END A 10 -0.128 4.217 1.197 1.00 0.00 H H HETATM 159 HG END A 10 -2.273 5.564 2.638 1.00 0.00 H H HETATM 160 2HB END A 10 0.067 5.283 3.397 1.00 0.00 H H HETATM 161 3HB END A 10 -0.194 3.496 3.578 1.00 0.00 H H HETATM 162 HA END A 10 -1.435 3.736 5.551 1.00 0.00 H H HETATM 163 C END A 10 0.031 5.276 5.912 1.00 0.00 C C HETATM 164 O END A 10 0.649 4.463 6.600 1.00 0.00 O O ATOM 165 N ILE A 11 0.355 6.563 5.846 1.00 0.00 N N ATOM 166 H ILE A 11 -0.176 7.161 5.281 1.00 0.00 H H ATOM 167 CA ILE A 11 1.480 7.106 6.596 1.00 0.00 C C ATOM 168 HA ILE A 11 1.632 6.484 7.467 1.00 0.00 H H ATOM 169 CB ILE A 11 2.773 7.092 5.760 1.00 0.00 C C ATOM 170 HB ILE A 11 2.598 7.657 4.857 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.906 7.761 6.524 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.840 7.275 6.282 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.961 8.803 6.246 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.722 7.680 7.585 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.150 5.657 5.387 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.295 5.170 4.946 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.957 5.679 4.669 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.600 4.824 6.567 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.522 5.226 6.961 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 2.841 4.845 7.334 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.761 3.805 6.247 1.00 0.00 H H ATOM 182 C ILE A 11 1.199 8.534 7.053 1.00 0.00 C C ATOM 183 O ILE A 11 1.578 8.931 8.155 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 7 24 25 CONECT 3 1 4 5 6 CONECT 7 8 1 22 23 CONECT 8 7 9 20 21 CONECT 10 13 9 11 CONECT 14 9 15 19 CONECT 11 12 16 10 CONECT 15 14 18 16 CONECT 9 8 14 10 CONECT 16 15 17 11 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 7 2 3 CONECT 24 23 CONECT 25 23 26 27 CONECT 53 55 46 54 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 71 72 CONECT 57 69 55 70 58 CONECT 58 57 67 68 59 CONECT 60 61 62 59 CONECT 59 66 60 58 65 CONECT 56 55 CONECT 69 57 CONECT 55 56 57 53 CONECT 62 63 64 60 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 91 90 CONECT 74 75 72 89 88 CONECT 75 74 76 80 87 CONECT 81 80 82 83 84 CONECT 80 75 81 86 85 CONECT 76 75 77 78 79 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 74 73 70 CONECT 90 89 CONECT 91 93 92 89 CONECT 119 120 112 121 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 134 123 133 CONECT 123 132 131 124 121 CONECT 124 130 129 123 125 CONECT 125 127 126 128 124 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 123 122 119 CONECT 133 132 CONECT 129 124 CONECT 142 136 144 143 CONECT 134 132 135 136 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 165 146 CONECT 146 144 162 147 163 CONECT 147 148 160 161 146 CONECT 149 148 158 157 150 CONECT 148 154 147 149 159 CONECT 151 154 152 150 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 145 146 CONECT 150 151 156 149 CONECT 154 148 151 155 CONECT 152 151 153 CONECT 164 163 CONECT 165 167 163 166 MODEL 11 HETATM 1 N DNP A 1 1.371 -0.024 -0.029 1.00 0.00 N N HETATM 2 H DNP A 1 1.726 -0.930 -0.316 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.873 0.258 1.334 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.485 -0.595 1.699 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.502 1.176 1.300 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.025 0.416 2.033 1.00 0.00 H H HETATM 7 CA DNP A 1 1.858 0.997 -1.002 1.00 0.00 C C HETATM 8 CB DNP A 1 1.205 0.758 -2.364 1.00 0.00 C C HETATM 9 CG DNP A 1 1.528 1.805 -3.404 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.912 1.392 -4.670 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.210 2.328 -5.648 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.520 1.991 -6.660 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.980 0.307 -4.900 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.442 3.160 -3.116 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.735 4.095 -4.096 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.120 3.679 -5.360 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.358 4.428 -6.146 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.662 5.180 -3.868 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.137 3.496 -2.104 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.099 0.711 -2.234 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.566 -0.223 -2.746 1.00 0.00 H H HETATM 22 HA DNP A 1 1.586 2.007 -0.614 1.00 0.00 H H HETATM 23 C DNP A 1 3.366 0.913 -1.181 1.00 0.00 C C HETATM 24 O DNP A 1 3.874 -0.205 -1.276 1.00 0.00 O O ATOM 25 N ILE A 2 4.072 2.037 -1.241 1.00 0.00 N N ATOM 26 H ILE A 2 3.610 2.897 -1.159 1.00 0.00 H H ATOM 27 CA ILE A 2 5.518 2.021 -1.426 1.00 0.00 C C ATOM 28 HA ILE A 2 5.797 1.041 -1.786 1.00 0.00 H H ATOM 29 CB ILE A 2 5.964 3.065 -2.466 1.00 0.00 C C ATOM 30 HB ILE A 2 7.026 2.954 -2.621 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.263 2.823 -3.794 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.647 1.920 -4.244 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.202 2.718 -3.626 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.442 3.659 -4.454 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.678 4.479 -1.956 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.593 4.457 -0.881 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.498 5.126 -2.234 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.404 5.076 -2.511 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.496 5.190 -3.581 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.573 4.424 -2.287 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.234 6.043 -2.061 1.00 0.00 H H ATOM 42 C ILE A 2 6.242 2.287 -0.111 1.00 0.00 C C ATOM 43 O ILE A 2 7.387 2.740 -0.101 1.00 0.00 O O ATOM 44 N SER A 3 5.568 2.001 0.999 1.00 0.00 N N ATOM 45 H SER A 3 4.659 1.642 0.926 1.00 0.00 H H ATOM 46 CA SER A 3 6.147 2.212 2.321 1.00 0.00 C C ATOM 47 HA SER A 3 5.551 1.663 3.035 1.00 0.00 H H ATOM 48 CB SER A 3 7.583 1.685 2.362 1.00 0.00 C C ATOM 49 1HB SER A 3 7.774 1.100 1.475 1.00 0.00 H H ATOM 50 2HB SER A 3 8.269 2.519 2.397 1.00 0.00 H H ATOM 51 OG SER A 3 7.795 0.870 3.502 1.00 0.00 O O ATOM 52 HG SER A 3 7.371 0.019 3.370 1.00 0.00 H H ATOM 53 C SER A 3 6.125 3.691 2.694 1.00 0.00 C C ATOM 54 O SER A 3 5.588 4.071 3.733 1.00 0.00 O O HETATM 55 N DGN A 4 6.713 4.520 1.838 1.00 0.00 N N HETATM 56 H DGN A 4 7.124 4.156 1.026 1.00 0.00 H H HETATM 57 CA DGN A 4 6.762 5.968 2.078 1.00 0.00 C C HETATM 58 CB DGN A 4 7.729 6.262 3.225 1.00 0.00 C C HETATM 59 CG DGN A 4 9.091 5.640 2.918 1.00 0.00 C C HETATM 60 CD DGN A 4 9.667 6.273 1.678 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.009 7.436 1.695 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.804 5.549 0.550 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.357 5.826 -0.263 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.353 4.749 0.552 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.766 5.807 3.758 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.973 4.569 2.756 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.840 7.340 3.342 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.336 5.837 4.149 1.00 0.00 H H HETATM 69 HA DGN A 4 7.105 6.474 1.176 1.00 0.00 H H HETATM 70 C DGN A 4 5.387 6.463 2.441 1.00 0.00 C C HETATM 71 O DGN A 4 5.211 7.159 3.439 1.00 0.00 O O HETATM 72 N DAI A 5 4.401 6.102 1.626 1.00 0.00 N N HETATM 73 H DAI A 5 4.604 5.546 0.845 1.00 0.00 H H HETATM 74 CA DAI A 5 3.012 6.518 1.867 1.00 0.00 C C HETATM 75 CB DAI A 5 2.071 5.685 0.994 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.189 6.141 -0.462 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.193 5.268 -1.117 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.342 6.779 -0.713 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.116 6.698 -0.594 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.452 4.208 1.099 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.432 3.779 2.568 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.946 2.807 2.656 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.454 3.710 2.940 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.881 4.515 3.154 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.739 3.607 0.535 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.453 4.061 0.692 1.00 0.00 H H HETATM 87 HB DAI A 5 1.045 5.821 1.335 1.00 0.00 H H HETATM 88 HA DAI A 5 2.764 6.367 2.917 1.00 0.00 H H HETATM 89 C DAI A 5 2.858 7.978 1.520 1.00 0.00 C C HETATM 90 O DAI A 5 3.845 8.685 1.315 1.00 0.00 O O ATOM 91 N ILE A 6 1.612 8.436 1.453 1.00 0.00 N N ATOM 92 H ILE A 6 0.868 7.824 1.627 1.00 0.00 H H ATOM 93 CA ILE A 6 1.328 9.828 1.129 1.00 0.00 C C ATOM 94 HA ILE A 6 2.205 10.412 1.368 1.00 0.00 H H ATOM 95 CB ILE A 6 1.021 10.005 -0.370 1.00 0.00 C C ATOM 96 HB ILE A 6 1.932 9.834 -0.924 1.00 0.00 H H ATOM 97 CG2 ILE A 6 -0.009 8.982 -0.825 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.430 8.336 -1.571 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.326 8.391 0.021 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.861 9.493 -1.247 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.528 11.427 -0.648 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.551 11.429 -0.664 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.873 12.080 0.141 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.014 11.989 -1.965 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.689 13.015 -2.061 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.092 11.947 -1.999 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.605 11.406 -2.778 1.00 0.00 H H ATOM 108 C ILE A 6 0.150 10.352 1.942 1.00 0.00 C C ATOM 109 O ILE A 6 0.128 11.516 2.343 1.00 0.00 O O ATOM 110 N SER A 7 -0.828 9.485 2.184 1.00 0.00 N N ATOM 111 H SER A 7 -0.753 8.571 1.837 1.00 0.00 H H ATOM 112 CA SER A 7 -2.012 9.861 2.949 1.00 0.00 C C ATOM 113 HA SER A 7 -2.081 10.939 2.944 1.00 0.00 H H ATOM 114 CB SER A 7 -3.270 9.278 2.301 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.143 8.215 2.167 1.00 0.00 H H ATOM 116 2HB SER A 7 -4.119 9.461 2.943 1.00 0.00 H H ATOM 117 OG SER A 7 -3.515 9.872 1.038 1.00 0.00 O O ATOM 118 HG SER A 7 -3.914 9.225 0.452 1.00 0.00 H H ATOM 119 C SER A 7 -1.900 9.381 4.393 1.00 0.00 C C ATOM 120 O SER A 7 -1.370 8.304 4.661 1.00 0.00 O O HETATM 121 N DTH A 8 -2.404 10.191 5.319 1.00 0.00 N N HETATM 122 H DTH A 8 -2.814 11.037 5.042 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.362 9.847 6.747 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.939 10.039 7.276 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.453 11.449 6.933 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.309 11.391 6.155 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.292 12.045 6.576 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 -0.029 11.914 7.823 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.072 9.076 6.671 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.931 9.905 8.357 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.044 10.495 7.297 1.00 0.00 H H HETATM 132 C DTH A 8 -2.776 8.410 6.931 1.00 0.00 C C HETATM 133 O DTH A 8 -2.221 7.695 7.764 1.00 0.00 O O ATOM 134 N ALA A 9 -3.760 7.979 6.148 1.00 0.00 N N ATOM 135 H ALA A 9 -4.164 8.596 5.503 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.253 6.609 6.225 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.827 6.512 7.136 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.174 6.313 5.052 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.879 7.124 4.935 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.588 6.213 4.150 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.710 5.394 5.238 1.00 0.00 H H ATOM 142 C ALA A 9 -3.100 5.612 6.260 1.00 0.00 C C ATOM 143 O ALA A 9 -2.915 4.828 7.165 1.00 0.00 O O HETATM 144 N END A 10 -2.240 5.636 5.179 1.00 0.00 N N HETATM 145 H END A 10 -2.444 6.336 4.418 1.00 0.00 H H HETATM 146 CA END A 10 -1.102 4.705 5.137 1.00 0.00 C C HETATM 147 CB END A 10 -0.660 4.495 3.673 1.00 0.00 C C HETATM 148 CG END A 10 -1.792 4.552 2.629 1.00 0.00 C C HETATM 149 CD END A 10 -1.231 4.297 1.218 1.00 0.00 C C HETATM 150 ND END A 10 -1.832 3.000 0.863 1.00 0.00 N N HETATM 151 CZ END A 10 -2.720 2.639 1.855 1.00 0.00 C C HETATM 152 NZ END A 10 -3.437 1.557 1.793 1.00 0.00 N N HETATM 153 HZ END A 10 -4.101 1.320 2.576 1.00 0.00 H H HETATM 154 NG END A 10 -2.784 3.511 2.916 1.00 0.00 N N HETATM 155 HNG END A 10 -3.431 3.407 3.742 1.00 0.00 H H HETATM 156 HND END A 10 -1.651 2.409 0.011 1.00 0.00 H H HETATM 157 1HD END A 10 -1.548 5.081 0.497 1.00 0.00 H H HETATM 158 2HD END A 10 -0.122 4.221 1.220 1.00 0.00 H H HETATM 159 HG END A 10 -2.265 5.560 2.670 1.00 0.00 H H HETATM 160 2HB END A 10 0.079 5.284 3.421 1.00 0.00 H H HETATM 161 3HB END A 10 -0.177 3.496 3.600 1.00 0.00 H H HETATM 162 HA END A 10 -1.410 3.729 5.578 1.00 0.00 H H HETATM 163 C END A 10 0.052 5.273 5.936 1.00 0.00 C C HETATM 164 O END A 10 0.676 4.460 6.620 1.00 0.00 O O ATOM 165 N ILE A 11 0.372 6.561 5.870 1.00 0.00 N N ATOM 166 H ILE A 11 -0.162 7.159 5.308 1.00 0.00 H H ATOM 167 CA ILE A 11 1.499 7.106 6.617 1.00 0.00 C C ATOM 168 HA ILE A 11 1.656 6.483 7.486 1.00 0.00 H H ATOM 169 CB ILE A 11 2.789 7.097 5.775 1.00 0.00 C C ATOM 170 HB ILE A 11 2.609 7.663 4.874 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.923 7.767 6.537 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 3.942 8.820 6.300 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.768 7.640 7.597 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 4.863 7.317 6.253 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.168 5.663 5.398 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.312 5.175 4.959 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.972 5.689 4.677 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.624 4.829 6.575 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.697 4.713 6.540 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.343 5.319 7.495 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.156 3.856 6.529 1.00 0.00 H H ATOM 182 C ILE A 11 1.216 8.532 7.076 1.00 0.00 C C ATOM 183 O ILE A 11 1.636 8.942 8.159 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 7 25 24 CONECT 3 1 4 5 6 CONECT 7 1 8 23 22 CONECT 8 7 9 21 20 CONECT 10 9 11 13 CONECT 14 9 19 15 CONECT 11 10 12 16 CONECT 15 18 16 14 CONECT 9 8 10 14 CONECT 16 11 15 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 2 3 7 CONECT 24 23 CONECT 25 27 23 26 CONECT 53 46 55 54 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 72 71 CONECT 57 58 55 69 70 CONECT 58 59 57 67 68 CONECT 60 62 59 61 CONECT 59 58 65 60 66 CONECT 56 55 CONECT 69 57 CONECT 55 56 57 53 CONECT 62 63 64 60 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 90 91 CONECT 74 72 89 75 88 CONECT 75 74 87 76 80 CONECT 81 84 80 82 83 CONECT 80 85 81 86 75 CONECT 76 79 78 75 77 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 70 74 CONECT 90 89 CONECT 91 92 89 93 CONECT 119 121 120 112 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 133 134 CONECT 123 121 124 131 132 CONECT 124 123 125 129 130 CONECT 125 124 126 127 128 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 119 122 123 CONECT 133 132 CONECT 129 124 CONECT 142 143 144 136 CONECT 134 132 135 136 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 165 146 CONECT 146 163 144 147 162 CONECT 147 161 160 146 148 CONECT 149 150 157 158 148 CONECT 148 159 147 149 154 CONECT 151 150 152 154 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 145 146 CONECT 150 151 149 156 CONECT 154 155 151 148 CONECT 152 153 151 CONECT 164 163 CONECT 165 163 167 166 MODEL 12 HETATM 1 N DNP A 1 1.383 -0.035 -0.029 1.00 0.00 N N HETATM 2 H DNP A 1 1.740 -0.942 -0.315 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.883 0.249 1.334 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.495 -0.603 1.702 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.511 1.168 1.300 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.033 0.407 2.032 1.00 0.00 H H HETATM 7 CA DNP A 1 1.870 0.985 -1.002 1.00 0.00 C C HETATM 8 CB DNP A 1 1.220 0.744 -2.366 1.00 0.00 C C HETATM 9 CG DNP A 1 1.546 1.790 -3.407 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.934 1.374 -4.671 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.234 2.308 -5.650 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.548 1.969 -6.660 1.00 0.00 H H HETATM 13 1HD DNP A 1 2.004 0.288 -4.899 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.457 3.145 -3.122 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.752 4.078 -4.103 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.141 3.660 -5.365 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.381 4.407 -6.152 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.677 5.163 -3.877 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.148 3.482 -2.111 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.114 0.697 -2.237 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.582 -0.238 -2.746 1.00 0.00 H H HETATM 22 HA DNP A 1 1.597 1.995 -0.617 1.00 0.00 H H HETATM 23 C DNP A 1 3.379 0.903 -1.179 1.00 0.00 C C HETATM 24 O DNP A 1 3.888 -0.214 -1.272 1.00 0.00 O O ATOM 25 N ILE A 2 4.084 2.027 -1.239 1.00 0.00 N N ATOM 26 H ILE A 2 3.621 2.887 -1.159 1.00 0.00 H H ATOM 27 CA ILE A 2 5.530 2.013 -1.421 1.00 0.00 C C ATOM 28 HA ILE A 2 5.811 1.033 -1.780 1.00 0.00 H H ATOM 29 CB ILE A 2 5.977 3.056 -2.462 1.00 0.00 C C ATOM 30 HB ILE A 2 7.039 2.946 -2.616 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.278 2.812 -3.791 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.660 1.905 -4.237 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.216 2.710 -3.625 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.462 3.644 -4.454 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.688 4.471 -1.955 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.601 4.450 -0.880 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.507 5.119 -2.233 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.414 5.065 -2.513 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.507 5.177 -3.583 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.584 4.412 -2.289 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.241 6.033 -2.064 1.00 0.00 H H ATOM 42 C ILE A 2 6.252 2.282 -0.105 1.00 0.00 C C ATOM 43 O ILE A 2 7.396 2.737 -0.095 1.00 0.00 O O ATOM 44 N SER A 3 5.577 1.997 1.003 1.00 0.00 N N ATOM 45 H SER A 3 4.668 1.637 0.930 1.00 0.00 H H ATOM 46 CA SER A 3 6.153 2.210 2.326 1.00 0.00 C C ATOM 47 HA SER A 3 5.557 1.662 3.039 1.00 0.00 H H ATOM 48 CB SER A 3 7.590 1.686 2.370 1.00 0.00 C C ATOM 49 1HB SER A 3 7.785 1.103 1.482 1.00 0.00 H H ATOM 50 2HB SER A 3 8.274 2.521 2.410 1.00 0.00 H H ATOM 51 OG SER A 3 7.799 0.868 3.508 1.00 0.00 O O ATOM 52 HG SER A 3 7.479 -0.019 3.329 1.00 0.00 H H ATOM 53 C SER A 3 6.128 3.690 2.697 1.00 0.00 C C ATOM 54 O SER A 3 5.589 4.071 3.735 1.00 0.00 O O HETATM 55 N DGN A 4 6.717 4.518 1.840 1.00 0.00 N N HETATM 56 H DGN A 4 7.129 4.154 1.029 1.00 0.00 H H HETATM 57 CA DGN A 4 6.763 5.967 2.079 1.00 0.00 C C HETATM 58 CB DGN A 4 7.728 6.264 3.226 1.00 0.00 C C HETATM 59 CG DGN A 4 9.091 5.644 2.922 1.00 0.00 C C HETATM 60 CD DGN A 4 9.668 6.277 1.683 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.058 7.424 1.714 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.752 5.569 0.539 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.238 5.836 -0.237 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.331 4.791 0.492 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.764 5.813 3.763 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.975 4.572 2.761 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.836 7.342 3.341 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.334 5.839 4.151 1.00 0.00 H H HETATM 69 HA DGN A 4 7.107 6.472 1.176 1.00 0.00 H H HETATM 70 C DGN A 4 5.386 6.460 2.438 1.00 0.00 C C HETATM 71 O DGN A 4 5.208 7.158 3.435 1.00 0.00 O O HETATM 72 N DAI A 5 4.402 6.098 1.622 1.00 0.00 N N HETATM 73 H DAI A 5 4.608 5.540 0.843 1.00 0.00 H H HETATM 74 CA DAI A 5 3.013 6.512 1.860 1.00 0.00 C C HETATM 75 CB DAI A 5 2.074 5.676 0.987 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.194 6.129 -0.470 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.200 5.256 -1.123 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.346 6.766 -0.723 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.120 6.688 -0.601 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.457 4.200 1.096 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.435 3.773 2.565 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.950 2.801 2.654 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.456 3.706 2.938 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.882 4.509 3.149 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.746 3.597 0.531 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.459 4.054 0.690 1.00 0.00 H H HETATM 87 HB DAI A 5 1.047 5.811 1.326 1.00 0.00 H H HETATM 88 HA DAI A 5 2.763 6.362 2.910 1.00 0.00 H H HETATM 89 C DAI A 5 2.857 7.970 1.511 1.00 0.00 C C HETATM 90 O DAI A 5 3.843 8.679 1.306 1.00 0.00 O O ATOM 91 N ILE A 6 1.611 8.427 1.441 1.00 0.00 N N ATOM 92 H ILE A 6 0.867 7.814 1.615 1.00 0.00 H H ATOM 93 CA ILE A 6 1.325 9.818 1.114 1.00 0.00 C C ATOM 94 HA ILE A 6 2.201 10.404 1.353 1.00 0.00 H H ATOM 95 CB ILE A 6 1.020 9.992 -0.386 1.00 0.00 C C ATOM 96 HB ILE A 6 1.932 9.821 -0.938 1.00 0.00 H H ATOM 97 CG2 ILE A 6 -0.008 8.967 -0.840 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.433 8.320 -1.584 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.325 8.377 0.006 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.861 9.476 -1.265 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.525 11.412 -0.667 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.554 11.414 -0.685 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.868 12.067 0.121 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.012 11.973 -1.984 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.706 13.005 -2.072 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.089 11.911 -2.027 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.586 11.403 -2.797 1.00 0.00 H H ATOM 108 C ILE A 6 0.145 10.343 1.925 1.00 0.00 C C ATOM 109 O ILE A 6 0.121 11.507 2.323 1.00 0.00 O O ATOM 110 N SER A 7 -0.832 9.474 2.167 1.00 0.00 N N ATOM 111 H SER A 7 -0.755 8.560 1.822 1.00 0.00 H H ATOM 112 CA SER A 7 -2.017 9.850 2.929 1.00 0.00 C C ATOM 113 HA SER A 7 -2.087 10.927 2.923 1.00 0.00 H H ATOM 114 CB SER A 7 -3.273 9.265 2.281 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.173 9.305 1.207 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.392 8.238 2.594 1.00 0.00 H H ATOM 117 OG SER A 7 -4.428 9.994 2.659 1.00 0.00 O O ATOM 118 HG SER A 7 -4.360 10.894 2.332 1.00 0.00 H H ATOM 119 C SER A 7 -1.907 9.372 4.374 1.00 0.00 C C ATOM 120 O SER A 7 -1.377 8.296 4.644 1.00 0.00 O O HETATM 121 N DTH A 8 -2.414 10.182 5.298 1.00 0.00 N N HETATM 122 H DTH A 8 -2.824 11.027 5.020 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.373 9.840 6.727 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.951 10.034 7.258 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.466 11.444 6.914 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.109 11.415 5.989 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.326 12.102 6.787 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.162 11.819 7.722 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.082 9.072 6.655 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.945 9.901 8.340 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.057 10.488 7.275 1.00 0.00 H H HETATM 132 C DTH A 8 -2.786 8.403 6.912 1.00 0.00 C C HETATM 133 O DTH A 8 -2.231 7.689 7.747 1.00 0.00 O O ATOM 134 N ALA A 9 -3.768 7.969 6.128 1.00 0.00 N N ATOM 135 H ALA A 9 -4.172 8.585 5.482 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.260 6.599 6.206 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.835 6.502 7.115 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.179 6.300 5.031 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.884 7.110 4.912 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.591 6.200 4.131 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.713 5.381 5.217 1.00 0.00 H H ATOM 142 C ALA A 9 -3.105 5.603 6.244 1.00 0.00 C C ATOM 143 O ALA A 9 -2.921 4.821 7.150 1.00 0.00 O O HETATM 144 N END A 10 -2.244 5.627 5.164 1.00 0.00 N N HETATM 145 H END A 10 -2.447 6.325 4.402 1.00 0.00 H H HETATM 146 CA END A 10 -1.104 4.697 5.125 1.00 0.00 C C HETATM 147 CB END A 10 -0.660 4.486 3.662 1.00 0.00 C C HETATM 148 CG END A 10 -1.790 4.540 2.616 1.00 0.00 C C HETATM 149 CD END A 10 -1.226 4.284 1.206 1.00 0.00 C C HETATM 150 ND END A 10 -1.826 2.986 0.852 1.00 0.00 N N HETATM 151 CZ END A 10 -2.714 2.625 1.843 1.00 0.00 C C HETATM 152 NZ END A 10 -3.430 1.542 1.781 1.00 0.00 N N HETATM 153 HZ END A 10 -4.095 1.305 2.563 1.00 0.00 H H HETATM 154 NG END A 10 -2.782 3.498 2.903 1.00 0.00 N N HETATM 155 HNG END A 10 -3.430 3.395 3.728 1.00 0.00 H H HETATM 156 HND END A 10 -1.642 2.394 0.001 1.00 0.00 H H HETATM 157 1HD END A 10 -1.543 5.066 0.484 1.00 0.00 H H HETATM 158 2HD END A 10 -0.118 4.210 1.210 1.00 0.00 H H HETATM 159 HG END A 10 -2.265 5.547 2.656 1.00 0.00 H H HETATM 160 2HB END A 10 0.078 5.276 3.410 1.00 0.00 H H HETATM 161 3HB END A 10 -0.175 3.488 3.591 1.00 0.00 H H HETATM 162 HA END A 10 -1.412 3.721 5.566 1.00 0.00 H H HETATM 163 C END A 10 0.048 5.268 5.925 1.00 0.00 C C HETATM 164 O END A 10 0.671 4.457 6.611 1.00 0.00 O O ATOM 165 N ILE A 11 0.367 6.556 5.859 1.00 0.00 N N ATOM 166 H ILE A 11 -0.168 7.152 5.294 1.00 0.00 H H ATOM 167 CA ILE A 11 1.492 7.103 6.606 1.00 0.00 C C ATOM 168 HA ILE A 11 1.648 6.482 7.476 1.00 0.00 H H ATOM 169 CB ILE A 11 2.783 7.095 5.767 1.00 0.00 C C ATOM 170 HB ILE A 11 2.603 7.659 4.864 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.915 7.768 6.528 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.863 7.443 6.126 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.830 8.840 6.425 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.855 7.501 7.572 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.165 5.661 5.393 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.310 5.170 4.954 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.969 5.687 4.672 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.622 4.831 6.572 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.530 5.250 6.977 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 2.854 4.829 7.331 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.808 3.817 6.247 1.00 0.00 H H ATOM 182 C ILE A 11 1.206 8.530 7.064 1.00 0.00 C C ATOM 183 O ILE A 11 1.583 8.927 8.166 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 25 7 24 CONECT 3 1 4 5 6 CONECT 7 1 23 8 22 CONECT 8 21 20 7 9 CONECT 10 13 11 9 CONECT 14 15 19 9 CONECT 11 12 10 16 CONECT 15 18 14 16 CONECT 9 10 14 8 CONECT 16 17 11 15 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 2 3 7 CONECT 24 23 CONECT 25 26 27 23 CONECT 53 46 54 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 71 72 CONECT 57 55 58 70 69 CONECT 58 59 57 68 67 CONECT 60 59 62 61 CONECT 59 60 58 65 66 CONECT 56 55 CONECT 69 57 CONECT 55 53 56 57 CONECT 62 60 63 64 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 90 91 74 CONECT 74 88 89 72 75 CONECT 75 87 80 74 76 CONECT 81 80 84 83 82 CONECT 80 85 86 81 75 CONECT 76 77 79 78 75 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 74 70 73 CONECT 90 89 CONECT 91 92 93 89 CONECT 119 121 120 112 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 133 134 CONECT 123 121 131 132 124 CONECT 124 130 125 123 129 CONECT 125 124 126 127 128 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 122 123 119 CONECT 133 132 CONECT 129 124 CONECT 142 143 144 136 CONECT 134 132 135 136 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 146 165 164 CONECT 146 144 147 163 162 CONECT 147 146 160 161 148 CONECT 149 158 150 148 157 CONECT 148 149 154 147 159 CONECT 151 154 152 150 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 145 146 CONECT 150 149 156 151 CONECT 154 155 148 151 CONECT 152 153 151 CONECT 164 163 CONECT 165 167 163 166 MODEL 13 HETATM 1 N DNP A 1 1.363 -0.032 -0.044 1.00 0.00 N N HETATM 2 H DNP A 1 1.716 -0.938 -0.334 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.866 0.247 1.318 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.476 -0.608 1.682 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.497 1.163 1.286 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.018 0.406 2.018 1.00 0.00 H H HETATM 7 CA DNP A 1 1.852 0.990 -1.015 1.00 0.00 C C HETATM 8 CB DNP A 1 1.198 0.756 -2.379 1.00 0.00 C C HETATM 9 CG DNP A 1 1.525 1.804 -3.416 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.909 1.391 -4.683 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.210 2.327 -5.659 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.520 1.991 -6.672 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.975 0.305 -4.915 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.441 3.158 -3.127 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.738 4.094 -4.106 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.122 3.678 -5.370 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.363 4.428 -6.155 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.667 5.178 -3.876 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.136 3.493 -2.115 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.093 0.712 -2.248 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.556 -0.226 -2.762 1.00 0.00 H H HETATM 22 HA DNP A 1 1.583 2.000 -0.626 1.00 0.00 H H HETATM 23 C DNP A 1 3.360 0.903 -1.196 1.00 0.00 C C HETATM 24 O DNP A 1 3.865 -0.215 -1.293 1.00 0.00 O O ATOM 25 N ILE A 2 4.068 2.026 -1.253 1.00 0.00 N N ATOM 26 H ILE A 2 3.608 2.886 -1.169 1.00 0.00 H H ATOM 27 CA ILE A 2 5.514 2.007 -1.438 1.00 0.00 C C ATOM 28 HA ILE A 2 5.791 1.027 -1.800 1.00 0.00 H H ATOM 29 CB ILE A 2 5.963 3.052 -2.477 1.00 0.00 C C ATOM 30 HB ILE A 2 7.024 2.939 -2.633 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.260 2.814 -3.805 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.639 1.908 -4.255 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.198 2.715 -3.637 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.445 3.648 -4.465 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.680 4.466 -1.964 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.595 4.442 -0.889 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.500 5.112 -2.242 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.407 5.066 -2.518 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.498 5.181 -3.588 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.575 4.415 -2.295 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.238 6.033 -2.066 1.00 0.00 H H ATOM 42 C ILE A 2 6.240 2.270 -0.123 1.00 0.00 C C ATOM 43 O ILE A 2 7.385 2.720 -0.113 1.00 0.00 O O ATOM 44 N SER A 3 5.565 1.983 0.986 1.00 0.00 N N ATOM 45 H SER A 3 4.655 1.627 0.913 1.00 0.00 H H ATOM 46 CA SER A 3 6.145 2.190 2.308 1.00 0.00 C C ATOM 47 HA SER A 3 5.548 1.642 3.022 1.00 0.00 H H ATOM 48 CB SER A 3 7.580 1.661 2.348 1.00 0.00 C C ATOM 49 1HB SER A 3 7.768 1.072 1.463 1.00 0.00 H H ATOM 50 2HB SER A 3 8.267 2.494 2.379 1.00 0.00 H H ATOM 51 OG SER A 3 7.793 0.850 3.490 1.00 0.00 O O ATOM 52 HG SER A 3 7.559 1.342 4.281 1.00 0.00 H H ATOM 53 C SER A 3 6.126 3.669 2.684 1.00 0.00 C C ATOM 54 O SER A 3 5.590 4.049 3.724 1.00 0.00 O O HETATM 55 N DGN A 4 6.715 4.498 1.829 1.00 0.00 N N HETATM 56 H DGN A 4 7.125 4.135 1.016 1.00 0.00 H H HETATM 57 CA DGN A 4 6.767 5.946 2.072 1.00 0.00 C C HETATM 58 CB DGN A 4 7.735 6.236 3.219 1.00 0.00 C C HETATM 59 CG DGN A 4 9.096 5.612 2.910 1.00 0.00 C C HETATM 60 CD DGN A 4 9.672 6.246 1.671 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.145 7.361 1.726 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.664 5.576 0.502 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 9.283 5.984 -0.289 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 10.043 4.684 0.453 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.771 5.777 3.750 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.976 4.541 2.746 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.848 7.313 3.337 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.341 5.810 4.142 1.00 0.00 H H HETATM 69 HA DGN A 4 7.111 6.453 1.171 1.00 0.00 H H HETATM 70 C DGN A 4 5.393 6.443 2.435 1.00 0.00 C C HETATM 71 O DGN A 4 5.218 7.138 3.435 1.00 0.00 O O HETATM 72 N DAI A 5 4.406 6.086 1.620 1.00 0.00 N N HETATM 73 H DAI A 5 4.608 5.530 0.839 1.00 0.00 H H HETATM 74 CA DAI A 5 3.019 6.504 1.862 1.00 0.00 C C HETATM 75 CB DAI A 5 2.075 5.674 0.989 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.194 6.132 -0.467 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.196 5.261 -1.123 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.348 6.772 -0.717 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.122 6.688 -0.599 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.453 4.196 1.091 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.433 3.765 2.559 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.945 2.794 2.646 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.454 3.693 2.931 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.883 4.500 3.147 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.739 3.597 0.526 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.454 4.048 0.683 1.00 0.00 H H HETATM 87 HB DAI A 5 1.049 5.811 1.330 1.00 0.00 H H HETATM 88 HA DAI A 5 2.770 6.351 2.912 1.00 0.00 H H HETATM 89 C DAI A 5 2.867 7.964 1.518 1.00 0.00 C C HETATM 90 O DAI A 5 3.855 8.669 1.314 1.00 0.00 O O ATOM 91 N ILE A 6 1.622 8.425 1.452 1.00 0.00 N N ATOM 92 H ILE A 6 0.876 7.814 1.625 1.00 0.00 H H ATOM 93 CA ILE A 6 1.340 9.818 1.130 1.00 0.00 C C ATOM 94 HA ILE A 6 2.219 10.400 1.370 1.00 0.00 H H ATOM 95 CB ILE A 6 1.034 9.999 -0.369 1.00 0.00 C C ATOM 96 HB ILE A 6 1.945 9.826 -0.922 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.002 8.979 -0.825 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.440 8.333 -1.572 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.316 8.386 0.020 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.849 9.491 -1.247 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.543 11.421 -0.644 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.535 11.426 -0.661 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.890 12.073 0.146 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.031 11.985 -1.960 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.697 13.007 -2.060 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.109 11.953 -1.989 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.632 11.396 -2.773 1.00 0.00 H H ATOM 108 C ILE A 6 0.163 10.344 1.944 1.00 0.00 C C ATOM 109 O ILE A 6 0.143 11.506 2.347 1.00 0.00 O O ATOM 110 N SER A 7 -0.817 9.478 2.184 1.00 0.00 N N ATOM 111 H SER A 7 -0.743 8.564 1.836 1.00 0.00 H H ATOM 112 CA SER A 7 -1.999 9.855 2.950 1.00 0.00 C C ATOM 113 HA SER A 7 -2.067 10.932 2.946 1.00 0.00 H H ATOM 114 CB SER A 7 -3.258 9.275 2.302 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.137 8.210 2.176 1.00 0.00 H H ATOM 116 2HB SER A 7 -4.109 9.468 2.939 1.00 0.00 H H ATOM 117 OG SER A 7 -3.495 9.861 1.033 1.00 0.00 O O ATOM 118 HG SER A 7 -4.415 10.127 0.970 1.00 0.00 H H ATOM 119 C SER A 7 -1.889 9.373 4.393 1.00 0.00 C C ATOM 120 O SER A 7 -1.361 8.294 4.660 1.00 0.00 O O HETATM 121 N DTH A 8 -2.391 10.182 5.320 1.00 0.00 N N HETATM 122 H DTH A 8 -2.799 11.029 5.045 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.349 9.837 6.748 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.925 10.025 7.277 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.437 11.434 6.936 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.247 11.387 6.089 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.290 12.062 6.679 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.080 11.858 7.797 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.061 9.061 6.670 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.918 9.889 8.358 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.030 10.485 7.299 1.00 0.00 H H HETATM 132 C DTH A 8 -2.766 8.400 6.930 1.00 0.00 C C HETATM 133 O DTH A 8 -2.212 7.683 7.762 1.00 0.00 O O ATOM 134 N ALA A 9 -3.751 7.972 6.147 1.00 0.00 N N ATOM 135 H ALA A 9 -4.153 8.591 5.503 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.246 6.603 6.222 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.821 6.505 7.132 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.169 6.310 5.048 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.872 7.122 4.932 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.583 6.209 4.147 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.706 5.392 5.233 1.00 0.00 H H ATOM 142 C ALA A 9 -3.095 5.604 6.255 1.00 0.00 C C ATOM 143 O ALA A 9 -2.912 4.818 7.159 1.00 0.00 O O HETATM 144 N END A 10 -2.236 5.627 5.174 1.00 0.00 N N HETATM 145 H END A 10 -2.438 6.328 4.414 1.00 0.00 H H HETATM 146 CA END A 10 -1.099 4.694 5.130 1.00 0.00 C C HETATM 147 CB END A 10 -0.658 4.485 3.666 1.00 0.00 C C HETATM 148 CG END A 10 -1.790 4.546 2.623 1.00 0.00 C C HETATM 149 CD END A 10 -1.229 4.292 1.211 1.00 0.00 C C HETATM 150 ND END A 10 -1.833 2.997 0.854 1.00 0.00 N N HETATM 151 CZ END A 10 -2.721 2.636 1.846 1.00 0.00 C C HETATM 152 NZ END A 10 -3.440 1.556 1.782 1.00 0.00 N N HETATM 153 HZ END A 10 -4.105 1.318 2.565 1.00 0.00 H H HETATM 154 NG END A 10 -2.784 3.506 2.908 1.00 0.00 N N HETATM 155 HNG END A 10 -3.431 3.402 3.734 1.00 0.00 H H HETATM 156 HND END A 10 -1.653 2.406 0.001 1.00 0.00 H H HETATM 157 1HD END A 10 -1.545 5.077 0.492 1.00 0.00 H H HETATM 158 2HD END A 10 -0.121 4.214 1.212 1.00 0.00 H H HETATM 159 HG END A 10 -2.261 5.554 2.666 1.00 0.00 H H HETATM 160 2HB END A 10 0.082 5.273 3.415 1.00 0.00 H H HETATM 161 3HB END A 10 -0.177 3.486 3.591 1.00 0.00 H H HETATM 162 HA END A 10 -1.409 3.718 5.570 1.00 0.00 H H HETATM 163 C END A 10 0.056 5.259 5.930 1.00 0.00 C C HETATM 164 O END A 10 0.678 4.444 6.612 1.00 0.00 O O ATOM 165 N ILE A 11 0.379 6.546 5.866 1.00 0.00 N N ATOM 166 H ILE A 11 -0.155 7.146 5.305 1.00 0.00 H H ATOM 167 CA ILE A 11 1.507 7.088 6.613 1.00 0.00 C C ATOM 168 HA ILE A 11 1.662 6.464 7.482 1.00 0.00 H H ATOM 169 CB ILE A 11 2.797 7.077 5.772 1.00 0.00 C C ATOM 170 HB ILE A 11 2.617 7.645 4.872 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.932 7.744 6.534 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.865 7.259 6.287 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.986 8.787 6.259 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.753 7.659 7.595 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.172 5.643 5.392 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.316 5.158 4.952 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.977 5.669 4.672 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.626 4.806 6.568 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 3.483 5.363 7.483 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.049 3.895 6.605 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 4.673 4.565 6.454 1.00 0.00 H H ATOM 182 C ILE A 11 1.227 8.514 7.075 1.00 0.00 C C ATOM 183 O ILE A 11 1.664 8.928 8.149 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 7 25 24 CONECT 3 4 6 5 1 CONECT 7 1 23 22 8 CONECT 8 20 7 9 21 CONECT 10 13 9 11 CONECT 14 9 15 19 CONECT 11 16 10 12 CONECT 15 16 18 14 CONECT 9 14 10 8 CONECT 16 17 15 11 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 2 3 7 CONECT 24 23 CONECT 25 27 23 26 CONECT 53 46 54 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 72 71 CONECT 57 55 58 69 70 CONECT 58 57 59 67 68 CONECT 60 61 62 59 CONECT 59 60 58 65 66 CONECT 56 55 CONECT 69 57 CONECT 55 53 56 57 CONECT 62 60 63 64 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 90 91 74 CONECT 74 72 89 75 88 CONECT 75 87 76 74 80 CONECT 81 84 83 82 80 CONECT 80 81 85 75 86 CONECT 76 75 77 79 78 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 70 74 CONECT 90 89 CONECT 91 89 92 93 CONECT 119 112 120 121 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 134 133 CONECT 123 131 132 124 121 CONECT 124 130 125 129 123 CONECT 125 127 128 124 126 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 119 123 122 CONECT 133 132 CONECT 129 124 CONECT 142 143 136 144 CONECT 134 132 136 135 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 165 146 CONECT 146 162 163 147 144 CONECT 147 148 146 161 160 CONECT 149 158 148 157 150 CONECT 148 154 159 147 149 CONECT 151 154 152 150 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 145 146 CONECT 150 156 151 149 CONECT 154 148 155 151 CONECT 152 153 151 CONECT 164 163 CONECT 165 163 167 166 MODEL 14 HETATM 1 N DNP A 1 1.405 -0.031 -0.030 1.00 0.00 N N HETATM 2 H DNP A 1 1.763 -0.937 -0.314 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.902 0.257 1.333 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.516 -0.594 1.703 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.528 1.176 1.299 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.051 0.414 2.029 1.00 0.00 H H HETATM 7 CA DNP A 1 1.892 0.989 -1.004 1.00 0.00 C C HETATM 8 CB DNP A 1 1.246 0.743 -2.369 1.00 0.00 C C HETATM 9 CG DNP A 1 1.558 1.795 -3.407 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.935 1.388 -4.677 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.222 2.329 -5.653 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.526 1.997 -6.669 1.00 0.00 H H HETATM 13 1HD DNP A 1 2.004 0.304 -4.913 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.469 3.149 -3.113 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.752 4.089 -4.091 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.129 3.679 -5.360 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.359 4.432 -6.144 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.677 5.172 -3.858 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.170 3.479 -2.097 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.141 0.681 -2.241 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.621 -0.234 -2.751 1.00 0.00 H H HETATM 22 HA DNP A 1 1.615 1.998 -0.622 1.00 0.00 H H HETATM 23 C DNP A 1 3.401 0.910 -1.177 1.00 0.00 C C HETATM 24 O DNP A 1 3.914 -0.206 -1.266 1.00 0.00 O O ATOM 25 N ILE A 2 4.103 2.036 -1.239 1.00 0.00 N N ATOM 26 H ILE A 2 3.638 2.894 -1.163 1.00 0.00 H H ATOM 27 CA ILE A 2 5.550 2.025 -1.418 1.00 0.00 C C ATOM 28 HA ILE A 2 5.834 1.046 -1.775 1.00 0.00 H H ATOM 29 CB ILE A 2 5.997 3.069 -2.458 1.00 0.00 C C ATOM 30 HB ILE A 2 7.060 2.962 -2.608 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.302 2.823 -3.788 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.690 1.919 -4.235 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.240 2.715 -3.625 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.483 3.657 -4.449 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.704 4.483 -1.951 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.612 4.462 -0.877 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.522 5.133 -2.226 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.430 5.075 -2.514 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.527 5.187 -3.584 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.600 4.421 -2.293 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.254 6.042 -2.066 1.00 0.00 H H ATOM 42 C ILE A 2 6.268 2.296 -0.100 1.00 0.00 C C ATOM 43 O ILE A 2 7.410 2.755 -0.087 1.00 0.00 O O ATOM 44 N SER A 3 5.591 2.007 1.007 1.00 0.00 N N ATOM 45 H SER A 3 4.684 1.644 0.931 1.00 0.00 H H ATOM 46 CA SER A 3 6.164 2.222 2.331 1.00 0.00 C C ATOM 47 HA SER A 3 5.567 1.673 3.043 1.00 0.00 H H ATOM 48 CB SER A 3 7.601 1.700 2.378 1.00 0.00 C C ATOM 49 1HB SER A 3 7.803 1.127 1.486 1.00 0.00 H H ATOM 50 2HB SER A 3 8.283 2.536 2.432 1.00 0.00 H H ATOM 51 OG SER A 3 7.805 0.871 3.509 1.00 0.00 O O ATOM 52 HG SER A 3 7.496 -0.017 3.315 1.00 0.00 H H ATOM 53 C SER A 3 6.136 3.701 2.702 1.00 0.00 C C ATOM 54 O SER A 3 5.591 4.082 3.737 1.00 0.00 O O HETATM 55 N DGN A 4 6.727 4.531 1.848 1.00 0.00 N N HETATM 56 H DGN A 4 7.145 4.167 1.040 1.00 0.00 H H HETATM 57 CA DGN A 4 6.771 5.980 2.087 1.00 0.00 C C HETATM 58 CB DGN A 4 7.732 6.278 3.237 1.00 0.00 C C HETATM 59 CG DGN A 4 9.082 5.616 2.961 1.00 0.00 C C HETATM 60 CD DGN A 4 9.645 6.140 1.666 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.336 7.136 1.665 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.383 5.504 0.507 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 10.050 4.927 0.107 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 8.523 5.622 0.073 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.772 5.842 3.774 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.949 4.537 2.887 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.868 7.355 3.329 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.319 5.885 4.167 1.00 0.00 H H HETATM 69 HA DGN A 4 7.116 6.485 1.186 1.00 0.00 H H HETATM 70 C DGN A 4 5.393 6.470 2.443 1.00 0.00 C C HETATM 71 O DGN A 4 5.211 7.171 3.437 1.00 0.00 O O HETATM 72 N DAI A 5 4.410 6.103 1.627 1.00 0.00 N N HETATM 73 H DAI A 5 4.618 5.543 0.850 1.00 0.00 H H HETATM 74 CA DAI A 5 3.020 6.514 1.862 1.00 0.00 C C HETATM 75 CB DAI A 5 2.084 5.676 0.987 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.207 6.129 -0.470 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.216 5.256 -1.122 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.360 6.765 -0.725 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.133 6.689 -0.600 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.470 4.201 1.097 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.446 3.775 2.566 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.962 2.802 2.655 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.466 3.709 2.942 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.891 4.511 3.149 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.760 3.596 0.532 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.473 4.056 0.693 1.00 0.00 H H HETATM 87 HB DAI A 5 1.057 5.809 1.323 1.00 0.00 H H HETATM 88 HA DAI A 5 2.768 6.364 2.911 1.00 0.00 H H HETATM 89 C DAI A 5 2.862 7.972 1.511 1.00 0.00 C C HETATM 90 O DAI A 5 3.847 8.682 1.309 1.00 0.00 O O ATOM 91 N ILE A 6 1.615 8.426 1.439 1.00 0.00 N N ATOM 92 H ILE A 6 0.872 7.812 1.611 1.00 0.00 H H ATOM 93 CA ILE A 6 1.327 9.817 1.110 1.00 0.00 C C ATOM 94 HA ILE A 6 2.201 10.404 1.351 1.00 0.00 H H ATOM 95 CB ILE A 6 1.025 9.990 -0.390 1.00 0.00 C C ATOM 96 HB ILE A 6 1.938 9.821 -0.940 1.00 0.00 H H ATOM 97 CG2 ILE A 6 -0.000 8.963 -0.846 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.444 8.317 -1.589 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.318 8.372 0.000 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.853 9.469 -1.273 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.527 11.409 -0.672 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.551 11.408 -0.693 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.867 12.065 0.116 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.016 11.971 -1.989 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.713 13.004 -2.075 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.093 11.906 -2.030 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.590 11.402 -2.803 1.00 0.00 H H ATOM 108 C ILE A 6 0.144 10.339 1.919 1.00 0.00 C C ATOM 109 O ILE A 6 0.117 11.503 2.317 1.00 0.00 O O ATOM 110 N SER A 7 -0.832 9.469 2.159 1.00 0.00 N N ATOM 111 H SER A 7 -0.752 8.555 1.814 1.00 0.00 H H ATOM 112 CA SER A 7 -2.019 9.843 2.919 1.00 0.00 C C ATOM 113 HA SER A 7 -2.092 10.920 2.911 1.00 0.00 H H ATOM 114 CB SER A 7 -3.272 9.254 2.268 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.159 9.270 1.195 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.403 8.235 2.602 1.00 0.00 H H ATOM 117 OG SER A 7 -4.426 10.000 2.617 1.00 0.00 O O ATOM 118 HG SER A 7 -4.187 10.923 2.735 1.00 0.00 H H ATOM 119 C SER A 7 -1.911 9.367 4.364 1.00 0.00 C C ATOM 120 O SER A 7 -1.378 8.292 4.636 1.00 0.00 O O HETATM 121 N DTH A 8 -2.421 10.176 5.287 1.00 0.00 N N HETATM 122 H DTH A 8 -2.833 11.020 5.007 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.382 9.836 6.716 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.961 10.033 7.249 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.479 11.444 6.904 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.111 11.413 5.988 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.340 12.097 6.760 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.136 11.827 7.719 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.089 9.072 6.649 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.957 9.902 8.331 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.068 10.483 7.262 1.00 0.00 H H HETATM 132 C DTH A 8 -2.792 8.398 6.901 1.00 0.00 C C HETATM 133 O DTH A 8 -2.237 7.687 7.738 1.00 0.00 O O ATOM 134 N ALA A 9 -3.772 7.962 6.116 1.00 0.00 N N ATOM 135 H ALA A 9 -4.175 8.576 5.469 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.260 6.590 6.195 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.837 6.493 7.103 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.177 6.288 5.018 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.884 7.096 4.897 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.587 6.188 4.119 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.710 5.368 5.205 1.00 0.00 H H ATOM 142 C ALA A 9 -3.104 5.597 6.235 1.00 0.00 C C ATOM 143 O ALA A 9 -2.919 4.816 7.142 1.00 0.00 O O HETATM 144 N END A 10 -2.240 5.622 5.157 1.00 0.00 N N HETATM 145 H END A 10 -2.444 6.319 4.394 1.00 0.00 H H HETATM 146 CA END A 10 -1.099 4.694 5.120 1.00 0.00 C C HETATM 147 CB END A 10 -0.651 4.483 3.659 1.00 0.00 C C HETATM 148 CG END A 10 -1.780 4.534 2.611 1.00 0.00 C C HETATM 149 CD END A 10 -1.213 4.277 1.202 1.00 0.00 C C HETATM 150 ND END A 10 -1.809 2.978 0.848 1.00 0.00 N N HETATM 151 CZ END A 10 -2.698 2.616 1.838 1.00 0.00 C C HETATM 152 NZ END A 10 -3.412 1.531 1.776 1.00 0.00 N N HETATM 153 HZ END A 10 -4.078 1.293 2.557 1.00 0.00 H H HETATM 154 NG END A 10 -2.770 3.490 2.897 1.00 0.00 N N HETATM 155 HNG END A 10 -3.419 3.386 3.721 1.00 0.00 H H HETATM 156 HND END A 10 -1.623 2.385 -0.002 1.00 0.00 H H HETATM 157 1HD END A 10 -1.531 5.058 0.479 1.00 0.00 H H HETATM 158 2HD END A 10 -0.105 4.206 1.208 1.00 0.00 H H HETATM 159 HG END A 10 -2.257 5.540 2.648 1.00 0.00 H H HETATM 160 2HB END A 10 0.085 5.274 3.407 1.00 0.00 H H HETATM 161 3HB END A 10 -0.164 3.486 3.589 1.00 0.00 H H HETATM 162 HA END A 10 -1.405 3.719 5.562 1.00 0.00 H H HETATM 163 C END A 10 0.051 5.268 5.922 1.00 0.00 C C HETATM 164 O END A 10 0.675 4.459 6.610 1.00 0.00 O O ATOM 165 N ILE A 11 0.367 6.557 5.855 1.00 0.00 N N ATOM 166 H ILE A 11 -0.168 7.152 5.289 1.00 0.00 H H ATOM 167 CA ILE A 11 1.490 7.108 6.604 1.00 0.00 C C ATOM 168 HA ILE A 11 1.646 6.487 7.474 1.00 0.00 H H ATOM 169 CB ILE A 11 2.782 7.102 5.766 1.00 0.00 C C ATOM 170 HB ILE A 11 2.602 7.666 4.863 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.911 7.779 6.529 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.857 7.363 6.216 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.899 8.839 6.323 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.778 7.616 7.588 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.168 5.669 5.393 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.315 5.177 4.953 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.973 5.697 4.673 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.625 4.840 6.573 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.703 4.764 6.563 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.305 5.311 7.490 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.195 3.851 6.506 1.00 0.00 H H ATOM 182 C ILE A 11 1.199 8.534 7.060 1.00 0.00 C C ATOM 183 O ILE A 11 1.655 8.962 8.121 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 25 24 7 CONECT 3 4 6 5 1 CONECT 7 8 22 23 1 CONECT 8 21 20 7 9 CONECT 10 11 13 9 CONECT 14 15 19 9 CONECT 11 16 10 12 CONECT 15 16 18 14 CONECT 9 10 8 14 CONECT 16 17 15 11 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 3 2 7 CONECT 24 23 CONECT 25 27 23 26 CONECT 53 46 54 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 72 71 CONECT 57 70 69 58 55 CONECT 58 57 59 67 68 CONECT 60 59 61 62 CONECT 59 65 60 58 66 CONECT 56 55 CONECT 69 57 CONECT 55 57 53 56 CONECT 62 60 63 64 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 90 91 CONECT 74 88 89 72 75 CONECT 75 74 80 76 87 CONECT 81 84 80 83 82 CONECT 80 81 85 86 75 CONECT 76 79 78 75 77 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 74 70 73 CONECT 90 89 CONECT 91 89 93 92 CONECT 119 120 121 112 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 134 133 123 CONECT 123 124 132 131 121 CONECT 124 129 130 123 125 CONECT 125 124 127 126 128 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 122 123 119 CONECT 133 132 CONECT 129 124 CONECT 142 144 136 143 CONECT 134 135 136 132 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 165 146 CONECT 146 144 163 147 162 CONECT 147 160 161 146 148 CONECT 149 158 148 150 157 CONECT 148 147 154 149 159 CONECT 151 154 150 152 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 145 146 142 CONECT 150 156 149 151 CONECT 154 148 155 151 CONECT 152 153 151 CONECT 164 163 CONECT 165 163 166 167 MODEL 15 HETATM 1 N DNP A 1 1.375 -0.021 -0.034 1.00 0.00 N N HETATM 2 H DNP A 1 1.729 -0.928 -0.321 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.876 0.262 1.329 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.487 -0.592 1.696 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.506 1.179 1.296 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.026 0.420 2.027 1.00 0.00 H H HETATM 7 CA DNP A 1 1.865 0.999 -1.006 1.00 0.00 C C HETATM 8 CB DNP A 1 1.216 0.760 -2.371 1.00 0.00 C C HETATM 9 CG DNP A 1 1.535 1.811 -3.407 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.913 1.402 -4.677 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.206 2.342 -5.653 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.511 2.009 -6.668 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.978 0.318 -4.913 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.451 3.165 -3.114 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.741 4.103 -4.091 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.119 3.692 -5.359 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.353 4.444 -6.143 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.669 5.187 -3.858 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.151 3.496 -2.099 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.111 0.705 -2.242 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.584 -0.219 -2.754 1.00 0.00 H H HETATM 22 HA DNP A 1 1.593 2.010 -0.621 1.00 0.00 H H HETATM 23 C DNP A 1 3.374 0.915 -1.181 1.00 0.00 C C HETATM 24 O DNP A 1 3.882 -0.203 -1.273 1.00 0.00 O O ATOM 25 N ILE A 2 4.080 2.038 -1.242 1.00 0.00 N N ATOM 26 H ILE A 2 3.618 2.899 -1.163 1.00 0.00 H H ATOM 27 CA ILE A 2 5.527 2.022 -1.422 1.00 0.00 C C ATOM 28 HA ILE A 2 5.806 1.042 -1.782 1.00 0.00 H H ATOM 29 CB ILE A 2 5.977 3.067 -2.460 1.00 0.00 C C ATOM 30 HB ILE A 2 7.039 2.955 -2.613 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.279 2.826 -3.791 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.656 1.917 -4.236 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.216 2.731 -3.627 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.469 3.657 -4.453 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.690 4.480 -1.950 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.600 4.458 -0.876 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.511 5.127 -2.225 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.418 5.079 -2.510 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.514 5.193 -3.580 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.586 4.427 -2.289 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.247 6.046 -2.060 1.00 0.00 H H ATOM 42 C ILE A 2 6.248 2.287 -0.105 1.00 0.00 C C ATOM 43 O ILE A 2 7.392 2.741 -0.092 1.00 0.00 O O ATOM 44 N SER A 3 5.571 1.999 1.002 1.00 0.00 N N ATOM 45 H SER A 3 4.662 1.639 0.927 1.00 0.00 H H ATOM 46 CA SER A 3 6.147 2.208 2.326 1.00 0.00 C C ATOM 47 HA SER A 3 5.548 1.660 3.038 1.00 0.00 H H ATOM 48 CB SER A 3 7.582 1.680 2.371 1.00 0.00 C C ATOM 49 1HB SER A 3 7.780 1.108 1.477 1.00 0.00 H H ATOM 50 2HB SER A 3 8.267 2.513 2.425 1.00 0.00 H H ATOM 51 OG SER A 3 7.784 0.847 3.499 1.00 0.00 O O ATOM 52 HG SER A 3 8.636 0.410 3.427 1.00 0.00 H H ATOM 53 C SER A 3 6.125 3.687 2.700 1.00 0.00 C C ATOM 54 O SER A 3 5.583 4.067 3.737 1.00 0.00 O O HETATM 55 N DGN A 4 6.719 4.515 1.847 1.00 0.00 N N HETATM 56 H DGN A 4 7.134 4.151 1.038 1.00 0.00 H H HETATM 57 CA DGN A 4 6.769 5.964 2.090 1.00 0.00 C C HETATM 58 CB DGN A 4 7.733 6.255 3.239 1.00 0.00 C C HETATM 59 CG DGN A 4 9.080 5.589 2.959 1.00 0.00 C C HETATM 60 CD DGN A 4 9.643 6.114 1.665 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.339 7.107 1.666 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.376 5.481 0.505 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 10.041 4.904 0.102 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 8.516 5.604 0.074 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.771 5.810 3.772 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.942 4.510 2.883 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.873 7.332 3.333 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.319 5.862 4.168 1.00 0.00 H H HETATM 69 HA DGN A 4 7.115 6.470 1.189 1.00 0.00 H H HETATM 70 C DGN A 4 5.393 6.459 2.448 1.00 0.00 C C HETATM 71 O DGN A 4 5.215 7.158 3.445 1.00 0.00 O O HETATM 72 N DAI A 5 4.408 6.097 1.633 1.00 0.00 N N HETATM 73 H DAI A 5 4.613 5.539 0.854 1.00 0.00 H H HETATM 74 CA DAI A 5 3.019 6.514 1.870 1.00 0.00 C C HETATM 75 CB DAI A 5 2.079 5.682 0.995 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.202 6.138 -0.461 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.206 5.266 -1.116 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.357 6.778 -0.714 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.130 6.694 -0.591 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.459 4.205 1.101 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.435 3.776 2.569 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.947 2.805 2.656 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.456 3.705 2.943 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.884 4.512 3.155 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.746 3.604 0.535 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.461 4.057 0.696 1.00 0.00 H H HETATM 87 HB DAI A 5 1.053 5.819 1.333 1.00 0.00 H H HETATM 88 HA DAI A 5 2.768 6.362 2.920 1.00 0.00 H H HETATM 89 C DAI A 5 2.867 7.974 1.524 1.00 0.00 C C HETATM 90 O DAI A 5 3.855 8.680 1.322 1.00 0.00 O O ATOM 91 N ILE A 6 1.622 8.433 1.454 1.00 0.00 N N ATOM 92 H ILE A 6 0.876 7.821 1.625 1.00 0.00 H H ATOM 93 CA ILE A 6 1.339 9.826 1.129 1.00 0.00 C C ATOM 94 HA ILE A 6 2.216 10.409 1.370 1.00 0.00 H H ATOM 95 CB ILE A 6 1.037 10.004 -0.371 1.00 0.00 C C ATOM 96 HB ILE A 6 1.948 9.832 -0.922 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.007 8.982 -0.828 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.447 8.336 -1.573 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.312 8.390 0.017 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.844 9.493 -1.252 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.544 11.425 -0.649 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.534 11.429 -0.668 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.888 12.078 0.141 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.034 11.988 -1.964 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.728 13.020 -2.051 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.111 11.926 -2.005 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.611 11.418 -2.779 1.00 0.00 H H ATOM 108 C ILE A 6 0.160 10.351 1.940 1.00 0.00 C C ATOM 109 O ILE A 6 0.138 11.514 2.341 1.00 0.00 O O ATOM 110 N SER A 7 -0.820 9.484 2.179 1.00 0.00 N N ATOM 111 H SER A 7 -0.744 8.571 1.832 1.00 0.00 H H ATOM 112 CA SER A 7 -2.005 9.861 2.941 1.00 0.00 C C ATOM 113 HA SER A 7 -2.073 10.939 2.936 1.00 0.00 H H ATOM 114 CB SER A 7 -3.261 9.279 2.291 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.137 8.214 2.164 1.00 0.00 H H ATOM 116 2HB SER A 7 -4.113 9.469 2.927 1.00 0.00 H H ATOM 117 OG SER A 7 -3.498 9.866 1.023 1.00 0.00 O O ATOM 118 HG SER A 7 -4.356 9.586 0.695 1.00 0.00 H H ATOM 119 C SER A 7 -1.897 9.381 4.385 1.00 0.00 C C ATOM 120 O SER A 7 -1.368 8.304 4.655 1.00 0.00 O O HETATM 121 N DTH A 8 -2.402 10.191 5.310 1.00 0.00 N N HETATM 122 H DTH A 8 -2.811 11.037 5.033 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.363 9.848 6.738 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.941 10.039 7.270 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.453 11.448 6.928 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.019 11.441 5.945 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.301 12.133 6.918 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.269 11.774 7.676 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.074 9.075 6.667 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.936 9.905 8.352 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.046 10.496 7.287 1.00 0.00 H H HETATM 132 C DTH A 8 -2.779 8.411 6.921 1.00 0.00 C C HETATM 133 O DTH A 8 -2.225 7.696 7.756 1.00 0.00 O O ATOM 134 N ALA A 9 -3.761 7.980 6.137 1.00 0.00 N N ATOM 135 H ALA A 9 -4.163 8.598 5.491 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.255 6.611 6.213 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.831 6.514 7.122 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.174 6.315 5.037 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.878 7.126 4.919 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.586 6.214 4.137 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.710 5.397 5.222 1.00 0.00 H H ATOM 142 C ALA A 9 -3.102 5.613 6.250 1.00 0.00 C C ATOM 143 O ALA A 9 -2.920 4.829 7.155 1.00 0.00 O O HETATM 144 N END A 10 -2.240 5.636 5.170 1.00 0.00 N N HETATM 145 H END A 10 -2.442 6.336 4.410 1.00 0.00 H H HETATM 146 CA END A 10 -1.103 4.704 5.131 1.00 0.00 C C HETATM 147 CB END A 10 -0.658 4.494 3.668 1.00 0.00 C C HETATM 148 CG END A 10 -1.788 4.552 2.622 1.00 0.00 C C HETATM 149 CD END A 10 -1.224 4.296 1.211 1.00 0.00 C C HETATM 150 ND END A 10 -1.825 3.000 0.856 1.00 0.00 N N HETATM 151 CZ END A 10 -2.715 2.639 1.846 1.00 0.00 C C HETATM 152 NZ END A 10 -3.433 1.558 1.782 1.00 0.00 N N HETATM 153 HZ END A 10 -4.098 1.321 2.564 1.00 0.00 H H HETATM 154 NG END A 10 -2.781 3.511 2.907 1.00 0.00 N N HETATM 155 HNG END A 10 -3.430 3.408 3.731 1.00 0.00 H H HETATM 156 HND END A 10 -1.643 2.409 0.004 1.00 0.00 H H HETATM 157 1HD END A 10 -1.539 5.080 0.490 1.00 0.00 H H HETATM 158 2HD END A 10 -0.116 4.220 1.216 1.00 0.00 H H HETATM 159 HG END A 10 -2.261 5.560 2.662 1.00 0.00 H H HETATM 160 2HB END A 10 0.082 5.283 3.417 1.00 0.00 H H HETATM 161 3HB END A 10 -0.175 3.496 3.596 1.00 0.00 H H HETATM 162 HA END A 10 -1.412 3.729 5.571 1.00 0.00 H H HETATM 163 C END A 10 0.050 5.272 5.932 1.00 0.00 C C HETATM 164 O END A 10 0.672 4.459 6.617 1.00 0.00 O O ATOM 165 N ILE A 11 0.371 6.560 5.867 1.00 0.00 N N ATOM 166 H ILE A 11 -0.162 7.158 5.303 1.00 0.00 H H ATOM 167 CA ILE A 11 1.497 7.105 6.616 1.00 0.00 C C ATOM 168 HA ILE A 11 1.652 6.481 7.485 1.00 0.00 H H ATOM 169 CB ILE A 11 2.789 7.095 5.776 1.00 0.00 C C ATOM 170 HB ILE A 11 2.610 7.661 4.875 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.921 7.765 6.539 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 3.764 8.834 6.552 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.941 7.394 7.553 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 4.861 7.545 6.056 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.168 5.662 5.400 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.313 5.174 4.959 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.973 5.688 4.680 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.622 4.828 6.577 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.688 4.663 6.512 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.392 5.345 7.496 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.111 3.876 6.563 1.00 0.00 H H ATOM 182 C ILE A 11 1.213 8.530 7.075 1.00 0.00 C C ATOM 183 O ILE A 11 1.627 8.938 8.161 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 25 7 24 CONECT 3 1 4 5 6 CONECT 7 1 22 8 23 CONECT 8 9 20 7 21 CONECT 10 9 13 11 CONECT 14 9 19 15 CONECT 11 12 16 10 CONECT 15 14 16 18 CONECT 9 14 8 10 CONECT 16 17 11 15 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 3 7 2 CONECT 24 23 CONECT 25 27 23 26 CONECT 53 46 54 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 72 71 57 CONECT 57 58 70 55 69 CONECT 58 67 68 57 59 CONECT 60 62 61 59 CONECT 59 58 66 65 60 CONECT 56 55 CONECT 69 57 CONECT 55 56 57 53 CONECT 62 64 63 60 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 91 90 CONECT 74 72 88 75 89 CONECT 75 74 76 80 87 CONECT 81 82 83 80 84 CONECT 80 85 86 75 81 CONECT 76 78 79 77 75 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 70 74 73 CONECT 90 89 CONECT 91 93 89 92 CONECT 119 121 112 120 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 133 134 123 CONECT 123 121 124 131 132 CONECT 124 130 125 123 129 CONECT 125 124 127 128 126 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 119 122 123 CONECT 133 132 CONECT 129 124 CONECT 142 144 136 143 CONECT 134 132 135 136 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 146 165 CONECT 146 144 162 163 147 CONECT 147 148 161 160 146 CONECT 149 148 157 150 158 CONECT 148 154 159 147 149 CONECT 151 152 154 150 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 145 146 CONECT 150 156 151 149 CONECT 154 155 148 151 CONECT 152 153 151 CONECT 164 163 CONECT 165 163 166 167 MODEL 16 HETATM 1 N DNP A 1 1.366 -0.021 -0.036 1.00 0.00 N N HETATM 2 H DNP A 1 1.718 -0.929 -0.321 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.865 0.262 1.328 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.472 -0.593 1.697 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.497 1.177 1.295 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.014 0.424 2.024 1.00 0.00 H H HETATM 7 CA DNP A 1 1.861 0.996 -1.009 1.00 0.00 C C HETATM 8 CB DNP A 1 1.214 0.756 -2.375 1.00 0.00 C C HETATM 9 CG DNP A 1 1.539 1.804 -3.412 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.920 1.392 -4.680 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.219 2.328 -5.657 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.527 1.992 -6.670 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.983 0.307 -4.913 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.458 3.159 -3.122 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.754 4.095 -4.101 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.134 3.680 -5.367 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.374 4.429 -6.151 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.685 5.179 -3.870 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.156 3.494 -2.108 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.108 0.707 -2.248 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.578 -0.224 -2.755 1.00 0.00 H H HETATM 22 HA DNP A 1 1.590 2.008 -0.625 1.00 0.00 H H HETATM 23 C DNP A 1 3.369 0.907 -1.181 1.00 0.00 C C HETATM 24 O DNP A 1 3.875 -0.212 -1.270 1.00 0.00 O O ATOM 25 N ILE A 2 4.079 2.029 -1.241 1.00 0.00 N N ATOM 26 H ILE A 2 3.619 2.890 -1.164 1.00 0.00 H H ATOM 27 CA ILE A 2 5.526 2.008 -1.419 1.00 0.00 C C ATOM 28 HA ILE A 2 5.803 1.027 -1.777 1.00 0.00 H H ATOM 29 CB ILE A 2 5.981 3.050 -2.458 1.00 0.00 C C ATOM 30 HB ILE A 2 7.043 2.935 -2.608 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.285 2.809 -3.789 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.666 1.903 -4.236 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.222 2.710 -3.626 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.472 3.642 -4.449 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.697 4.465 -1.951 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.605 4.445 -0.876 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.520 5.109 -2.225 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.428 5.066 -2.513 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.526 5.178 -3.583 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.594 4.417 -2.293 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.259 6.035 -2.065 1.00 0.00 H H ATOM 42 C ILE A 2 6.245 2.274 -0.101 1.00 0.00 C C ATOM 43 O ILE A 2 7.390 2.725 -0.086 1.00 0.00 O O ATOM 44 N SER A 3 5.566 1.989 1.006 1.00 0.00 N N ATOM 45 H SER A 3 4.656 1.632 0.929 1.00 0.00 H H ATOM 46 CA SER A 3 6.139 2.199 2.330 1.00 0.00 C C ATOM 47 HA SER A 3 5.537 1.653 3.042 1.00 0.00 H H ATOM 48 CB SER A 3 7.573 1.667 2.379 1.00 0.00 C C ATOM 49 1HB SER A 3 7.771 1.093 1.486 1.00 0.00 H H ATOM 50 2HB SER A 3 8.260 2.499 2.433 1.00 0.00 H H ATOM 51 OG SER A 3 7.770 0.836 3.509 1.00 0.00 O O ATOM 52 HG SER A 3 8.710 0.761 3.692 1.00 0.00 H H ATOM 53 C SER A 3 6.120 3.678 2.702 1.00 0.00 C C ATOM 54 O SER A 3 5.577 4.062 3.737 1.00 0.00 O O HETATM 55 N DGN A 4 6.718 4.504 1.849 1.00 0.00 N N HETATM 56 H DGN A 4 7.133 4.137 1.041 1.00 0.00 H H HETATM 57 CA DGN A 4 6.771 5.952 2.089 1.00 0.00 C C HETATM 58 CB DGN A 4 7.734 6.243 3.240 1.00 0.00 C C HETATM 59 CG DGN A 4 9.079 5.573 2.964 1.00 0.00 C C HETATM 60 CD DGN A 4 9.646 6.093 1.669 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.343 7.085 1.668 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.381 5.456 0.510 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 10.044 4.872 0.114 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 8.524 5.583 0.074 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.770 5.794 3.777 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.939 4.494 2.891 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.876 7.320 3.332 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.317 5.853 4.169 1.00 0.00 H H HETATM 69 HA DGN A 4 7.121 6.456 1.188 1.00 0.00 H H HETATM 70 C DGN A 4 5.396 6.452 2.444 1.00 0.00 C C HETATM 71 O DGN A 4 5.218 7.154 3.438 1.00 0.00 O O HETATM 72 N DAI A 5 4.412 6.091 1.627 1.00 0.00 N N HETATM 73 H DAI A 5 4.616 5.531 0.850 1.00 0.00 H H HETATM 74 CA DAI A 5 3.024 6.512 1.861 1.00 0.00 C C HETATM 75 CB DAI A 5 2.083 5.681 0.986 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.210 6.133 -0.471 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.213 5.260 -1.124 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.367 6.775 -0.726 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.140 6.687 -0.600 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.459 4.203 1.096 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.431 3.777 2.565 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.940 2.807 2.653 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.451 3.704 2.941 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.881 4.516 3.148 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.746 3.603 0.530 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.461 4.051 0.692 1.00 0.00 H H HETATM 87 HB DAI A 5 1.056 5.821 1.321 1.00 0.00 H H HETATM 88 HA DAI A 5 2.770 6.363 2.911 1.00 0.00 H H HETATM 89 C DAI A 5 2.876 7.972 1.512 1.00 0.00 C C HETATM 90 O DAI A 5 3.866 8.675 1.310 1.00 0.00 O O ATOM 91 N ILE A 6 1.632 8.434 1.438 1.00 0.00 N N ATOM 92 H ILE A 6 0.885 7.824 1.610 1.00 0.00 H H ATOM 93 CA ILE A 6 1.354 9.827 1.110 1.00 0.00 C C ATOM 94 HA ILE A 6 2.232 10.408 1.352 1.00 0.00 H H ATOM 95 CB ILE A 6 1.054 10.002 -0.390 1.00 0.00 C C ATOM 96 HB ILE A 6 1.966 9.827 -0.940 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.022 8.982 -0.847 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.462 8.333 -1.590 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.300 8.393 -0.002 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.827 9.494 -1.274 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.566 11.425 -0.672 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.513 11.431 -0.693 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.910 12.078 0.117 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.059 11.983 -1.988 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.753 13.015 -2.079 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.136 11.921 -2.025 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.638 11.411 -2.802 1.00 0.00 H H ATOM 108 C ILE A 6 0.174 10.356 1.918 1.00 0.00 C C ATOM 109 O ILE A 6 0.154 11.521 2.317 1.00 0.00 O O ATOM 110 N SER A 7 -0.808 9.493 2.157 1.00 0.00 N N ATOM 111 H SER A 7 -0.734 8.578 1.812 1.00 0.00 H H ATOM 112 CA SER A 7 -1.993 9.874 2.917 1.00 0.00 C C ATOM 113 HA SER A 7 -2.059 10.952 2.910 1.00 0.00 H H ATOM 114 CB SER A 7 -3.250 9.294 2.265 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.612 9.980 1.514 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.009 8.348 1.804 1.00 0.00 H H ATOM 117 OG SER A 7 -4.273 9.088 3.224 1.00 0.00 O O ATOM 118 HG SER A 7 -5.119 9.007 2.778 1.00 0.00 H H ATOM 119 C SER A 7 -1.889 9.397 4.362 1.00 0.00 C C ATOM 120 O SER A 7 -1.364 8.318 4.634 1.00 0.00 O O HETATM 121 N DTH A 8 -2.394 10.209 5.284 1.00 0.00 N N HETATM 122 H DTH A 8 -2.800 11.056 5.005 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.358 9.869 6.713 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.937 10.056 7.248 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.445 11.464 6.905 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.166 11.426 6.003 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.302 12.116 6.736 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.150 11.852 7.731 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.071 9.090 6.647 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.934 9.924 8.329 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.041 10.519 7.259 1.00 0.00 H H HETATM 132 C DTH A 8 -2.778 8.433 6.898 1.00 0.00 C C HETATM 133 O DTH A 8 -2.228 7.718 7.735 1.00 0.00 O O ATOM 134 N ALA A 9 -3.761 8.004 6.113 1.00 0.00 N N ATOM 135 H ALA A 9 -4.159 8.621 5.465 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.258 6.636 6.190 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.836 6.542 7.098 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.176 6.340 5.013 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.877 7.153 4.892 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.586 6.236 4.114 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.715 5.423 5.198 1.00 0.00 H H ATOM 142 C ALA A 9 -3.108 5.635 6.231 1.00 0.00 C C ATOM 143 O ALA A 9 -2.929 4.852 7.138 1.00 0.00 O O HETATM 144 N END A 10 -2.244 5.654 5.153 1.00 0.00 N N HETATM 145 H END A 10 -2.443 6.353 4.390 1.00 0.00 H H HETATM 146 CA END A 10 -1.109 4.719 5.117 1.00 0.00 C C HETATM 147 CB END A 10 -0.662 4.505 3.655 1.00 0.00 C C HETATM 148 CG END A 10 -1.790 4.564 2.607 1.00 0.00 C C HETATM 149 CD END A 10 -1.224 4.304 1.198 1.00 0.00 C C HETATM 150 ND END A 10 -1.828 3.009 0.844 1.00 0.00 N N HETATM 151 CZ END A 10 -2.721 2.652 1.833 1.00 0.00 C C HETATM 152 NZ END A 10 -3.441 1.573 1.770 1.00 0.00 N N HETATM 153 HZ END A 10 -4.109 1.339 2.550 1.00 0.00 H H HETATM 154 NG END A 10 -2.787 3.526 2.892 1.00 0.00 N N HETATM 155 HNG END A 10 -3.437 3.426 3.716 1.00 0.00 H H HETATM 156 HND END A 10 -1.646 2.415 -0.007 1.00 0.00 H H HETATM 157 1HD END A 10 -1.536 5.088 0.475 1.00 0.00 H H HETATM 158 2HD END A 10 -0.116 4.225 1.204 1.00 0.00 H H HETATM 159 HG END A 10 -2.260 5.573 2.645 1.00 0.00 H H HETATM 160 2HB END A 10 0.080 5.291 3.404 1.00 0.00 H H HETATM 161 3HB END A 10 -0.182 3.505 3.585 1.00 0.00 H H HETATM 162 HA END A 10 -1.422 3.745 5.558 1.00 0.00 H H HETATM 163 C END A 10 0.044 5.285 5.919 1.00 0.00 C C HETATM 164 O END A 10 0.662 4.472 6.607 1.00 0.00 O O ATOM 165 N ILE A 11 0.369 6.572 5.853 1.00 0.00 N N ATOM 166 H ILE A 11 -0.162 7.170 5.287 1.00 0.00 H H ATOM 167 CA ILE A 11 1.495 7.115 6.602 1.00 0.00 C C ATOM 168 HA ILE A 11 1.646 6.493 7.473 1.00 0.00 H H ATOM 169 CB ILE A 11 2.787 7.101 5.765 1.00 0.00 C C ATOM 170 HB ILE A 11 2.611 7.665 4.862 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.920 7.770 6.529 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.864 7.519 6.066 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.784 8.841 6.508 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.918 7.426 7.552 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.164 5.665 5.392 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.309 5.178 4.952 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.970 5.688 4.673 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.616 4.833 6.572 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.535 5.240 6.969 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 2.854 4.849 7.337 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.783 3.815 6.251 1.00 0.00 H H ATOM 182 C ILE A 11 1.214 8.542 7.059 1.00 0.00 C C ATOM 183 O ILE A 11 1.614 8.946 8.151 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 24 7 25 CONECT 3 6 1 5 4 CONECT 7 1 22 8 23 CONECT 8 7 21 9 20 CONECT 10 11 9 13 CONECT 14 19 15 9 CONECT 11 12 10 16 CONECT 15 18 16 14 CONECT 9 8 10 14 CONECT 16 11 15 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 7 2 3 CONECT 24 23 CONECT 25 26 23 27 CONECT 53 46 55 54 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 72 57 71 CONECT 57 70 69 55 58 CONECT 58 59 57 67 68 CONECT 60 59 61 62 CONECT 59 58 65 60 66 CONECT 56 55 CONECT 69 57 CONECT 55 56 57 53 CONECT 62 63 60 64 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 90 91 74 CONECT 74 72 88 75 89 CONECT 75 74 76 80 87 CONECT 81 83 82 84 80 CONECT 80 85 81 86 75 CONECT 76 77 78 75 79 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 70 74 73 CONECT 90 89 CONECT 91 89 92 93 CONECT 119 120 112 121 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 133 134 123 CONECT 123 132 124 131 121 CONECT 124 130 125 123 129 CONECT 125 126 124 127 128 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 119 122 123 CONECT 133 132 CONECT 129 124 CONECT 142 143 144 136 CONECT 134 132 135 136 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 146 164 165 CONECT 146 147 144 163 162 CONECT 147 148 146 161 160 CONECT 149 148 157 150 158 CONECT 148 147 149 154 159 CONECT 151 152 154 150 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 145 142 146 CONECT 150 149 151 156 CONECT 154 148 155 151 CONECT 152 153 151 CONECT 164 163 CONECT 165 163 166 167 MODEL 17 HETATM 1 N DNP A 1 1.379 -0.017 -0.027 1.00 0.00 N N HETATM 2 H DNP A 1 1.735 -0.925 -0.309 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.876 0.270 1.337 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.483 -0.584 1.710 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.509 1.185 1.302 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.025 0.434 2.031 1.00 0.00 H H HETATM 7 CA DNP A 1 1.872 1.000 -1.001 1.00 0.00 C C HETATM 8 CB DNP A 1 1.224 0.757 -2.366 1.00 0.00 C C HETATM 9 CG DNP A 1 1.549 1.804 -3.406 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.931 1.389 -4.672 1.00 0.00 C C HETATM 11 CE1 DNP A 1 2.230 2.324 -5.651 1.00 0.00 C C HETATM 12 1HE DNP A 1 2.538 1.986 -6.663 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.997 0.303 -4.903 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.465 3.159 -3.119 1.00 0.00 C C HETATM 15 CE2 DNP A 1 1.760 4.093 -4.099 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.142 3.676 -5.364 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.381 4.424 -6.149 1.00 0.00 H H HETATM 18 2HE DNP A 1 1.689 5.178 -3.871 1.00 0.00 H H HETATM 19 2HD DNP A 1 1.162 3.495 -2.106 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.119 0.707 -2.239 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.590 -0.224 -2.745 1.00 0.00 H H HETATM 22 HA DNP A 1 1.600 2.011 -0.619 1.00 0.00 H H HETATM 23 C DNP A 1 3.381 0.913 -1.174 1.00 0.00 C C HETATM 24 O DNP A 1 3.888 -0.206 -1.262 1.00 0.00 O O ATOM 25 N ILE A 2 4.089 2.036 -1.236 1.00 0.00 N N ATOM 26 H ILE A 2 3.627 2.897 -1.159 1.00 0.00 H H ATOM 27 CA ILE A 2 5.535 2.017 -1.414 1.00 0.00 C C ATOM 28 HA ILE A 2 5.814 1.036 -1.771 1.00 0.00 H H ATOM 29 CB ILE A 2 5.988 3.058 -2.455 1.00 0.00 C C ATOM 30 HB ILE A 2 7.050 2.945 -2.606 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.291 2.814 -3.786 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.671 1.905 -4.229 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.228 2.717 -3.623 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.480 3.644 -4.449 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.702 4.474 -1.950 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.611 4.455 -0.876 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.524 5.119 -2.226 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.431 5.071 -2.513 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.528 5.182 -3.583 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.598 4.422 -2.291 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.261 6.040 -2.066 1.00 0.00 H H ATOM 42 C ILE A 2 6.255 2.286 -0.097 1.00 0.00 C C ATOM 43 O ILE A 2 7.399 2.739 -0.084 1.00 0.00 O O ATOM 44 N SER A 3 5.576 2.002 1.010 1.00 0.00 N N ATOM 45 H SER A 3 4.667 1.643 0.935 1.00 0.00 H H ATOM 46 CA SER A 3 6.150 2.215 2.334 1.00 0.00 C C ATOM 47 HA SER A 3 5.550 1.670 3.047 1.00 0.00 H H ATOM 48 CB SER A 3 7.585 1.686 2.383 1.00 0.00 C C ATOM 49 1HB SER A 3 7.784 1.111 1.491 1.00 0.00 H H ATOM 50 2HB SER A 3 8.271 2.519 2.435 1.00 0.00 H H ATOM 51 OG SER A 3 7.785 0.858 3.515 1.00 0.00 O O ATOM 52 HG SER A 3 7.085 0.202 3.559 1.00 0.00 H H ATOM 53 C SER A 3 6.129 3.695 2.703 1.00 0.00 C C ATOM 54 O SER A 3 5.586 4.080 3.738 1.00 0.00 O O HETATM 55 N DGN A 4 6.724 4.521 1.849 1.00 0.00 N N HETATM 56 H DGN A 4 7.140 4.154 1.041 1.00 0.00 H H HETATM 57 CA DGN A 4 6.775 5.970 2.086 1.00 0.00 C C HETATM 58 CB DGN A 4 7.738 6.264 3.236 1.00 0.00 C C HETATM 59 CG DGN A 4 9.084 5.596 2.960 1.00 0.00 C C HETATM 60 CD DGN A 4 9.650 6.116 1.665 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.346 7.109 1.662 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.385 5.478 0.507 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 10.049 4.897 0.109 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 8.526 5.601 0.073 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.775 5.819 3.773 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.946 4.517 2.888 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.879 7.341 3.327 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.322 5.875 4.166 1.00 0.00 H H HETATM 69 HA DGN A 4 7.123 6.473 1.184 1.00 0.00 H H HETATM 70 C DGN A 4 5.399 6.468 2.441 1.00 0.00 C C HETATM 71 O DGN A 4 5.221 7.170 3.435 1.00 0.00 O O HETATM 72 N DAI A 5 4.415 6.104 1.626 1.00 0.00 N N HETATM 73 H DAI A 5 4.621 5.543 0.849 1.00 0.00 H H HETATM 74 CA DAI A 5 3.027 6.523 1.860 1.00 0.00 C C HETATM 75 CB DAI A 5 2.087 5.689 0.986 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.213 6.139 -0.471 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.217 5.265 -1.123 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.368 6.778 -0.727 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.141 6.694 -0.601 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.465 4.211 1.098 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.439 3.787 2.567 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.951 2.817 2.657 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.460 3.717 2.943 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.888 4.526 3.150 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.753 3.609 0.533 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.467 4.061 0.694 1.00 0.00 H H HETATM 87 HB DAI A 5 1.060 5.827 1.322 1.00 0.00 H H HETATM 88 HA DAI A 5 2.774 6.375 2.910 1.00 0.00 H H HETATM 89 C DAI A 5 2.876 7.981 1.508 1.00 0.00 C C HETATM 90 O DAI A 5 3.865 8.686 1.305 1.00 0.00 O O ATOM 91 N ILE A 6 1.631 8.441 1.435 1.00 0.00 N N ATOM 92 H ILE A 6 0.885 7.830 1.607 1.00 0.00 H H ATOM 93 CA ILE A 6 1.350 9.833 1.105 1.00 0.00 C C ATOM 94 HA ILE A 6 2.227 10.416 1.346 1.00 0.00 H H ATOM 95 CB ILE A 6 1.050 10.006 -0.396 1.00 0.00 C C ATOM 96 HB ILE A 6 1.962 9.831 -0.945 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.020 8.983 -0.851 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.461 8.334 -1.593 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.301 8.394 -0.005 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.830 9.493 -1.278 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.559 11.427 -0.679 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.520 11.431 -0.700 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.902 12.082 0.109 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.051 11.985 -1.996 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.744 13.016 -2.088 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.128 11.923 -2.034 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.629 11.412 -2.810 1.00 0.00 H H ATOM 108 C ILE A 6 0.170 10.362 1.913 1.00 0.00 C C ATOM 109 O ILE A 6 0.148 11.526 2.310 1.00 0.00 O O ATOM 110 N SER A 7 -0.811 9.497 2.153 1.00 0.00 N N ATOM 111 H SER A 7 -0.735 8.582 1.810 1.00 0.00 H H ATOM 112 CA SER A 7 -1.996 9.877 2.912 1.00 0.00 C C ATOM 113 HA SER A 7 -2.064 10.954 2.904 1.00 0.00 H H ATOM 114 CB SER A 7 -3.252 9.294 2.262 1.00 0.00 C C ATOM 115 1HB SER A 7 -4.126 9.770 2.681 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.220 9.473 1.197 1.00 0.00 H H ATOM 117 OG SER A 7 -3.342 7.898 2.488 1.00 0.00 O O ATOM 118 HG SER A 7 -4.250 7.664 2.694 1.00 0.00 H H ATOM 119 C SER A 7 -1.891 9.402 4.358 1.00 0.00 C C ATOM 120 O SER A 7 -1.364 8.325 4.632 1.00 0.00 O O HETATM 121 N DTH A 8 -2.396 10.215 5.280 1.00 0.00 N N HETATM 122 H DTH A 8 -2.804 11.061 4.999 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.359 9.877 6.709 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.938 10.068 7.243 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.449 11.476 6.897 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.218 11.428 6.036 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.304 12.109 6.659 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.087 11.894 7.749 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.071 9.102 6.644 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.935 9.938 8.324 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.043 10.527 7.255 1.00 0.00 H H HETATM 132 C DTH A 8 -2.777 8.441 6.896 1.00 0.00 C C HETATM 133 O DTH A 8 -2.225 7.728 7.734 1.00 0.00 O O ATOM 134 N ALA A 9 -3.759 8.008 6.112 1.00 0.00 N N ATOM 135 H ALA A 9 -4.159 8.624 5.464 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.254 6.639 6.192 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.831 6.546 7.101 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.171 6.341 5.016 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.875 7.152 4.894 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.582 6.237 4.117 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.709 5.423 5.203 1.00 0.00 H H ATOM 142 C ALA A 9 -3.102 5.641 6.234 1.00 0.00 C C ATOM 143 O ALA A 9 -2.921 4.860 7.142 1.00 0.00 O O HETATM 144 N END A 10 -2.238 5.660 5.156 1.00 0.00 N N HETATM 145 H END A 10 -2.439 6.358 4.392 1.00 0.00 H H HETATM 146 CA END A 10 -1.101 4.727 5.120 1.00 0.00 C C HETATM 147 CB END A 10 -0.655 4.512 3.659 1.00 0.00 C C HETATM 148 CG END A 10 -1.783 4.566 2.611 1.00 0.00 C C HETATM 149 CD END A 10 -1.218 4.306 1.202 1.00 0.00 C C HETATM 150 ND END A 10 -1.820 3.009 0.850 1.00 0.00 N N HETATM 151 CZ END A 10 -2.711 2.652 1.840 1.00 0.00 C C HETATM 152 NZ END A 10 -3.429 1.571 1.779 1.00 0.00 N N HETATM 153 HZ END A 10 -4.096 1.337 2.561 1.00 0.00 H H HETATM 154 NG END A 10 -2.778 3.528 2.898 1.00 0.00 N N HETATM 155 HNG END A 10 -3.428 3.428 3.722 1.00 0.00 H H HETATM 156 HND END A 10 -1.636 2.415 0.001 1.00 0.00 H H HETATM 157 1HD END A 10 -1.531 5.088 0.478 1.00 0.00 H H HETATM 158 2HD END A 10 -0.109 4.229 1.208 1.00 0.00 H H HETATM 159 HG END A 10 -2.256 5.575 2.647 1.00 0.00 H H HETATM 160 2HB END A 10 0.086 5.299 3.406 1.00 0.00 H H HETATM 161 3HB END A 10 -0.173 3.512 3.590 1.00 0.00 H H HETATM 162 HA END A 10 -1.412 3.753 5.563 1.00 0.00 H H HETATM 163 C END A 10 0.051 5.296 5.921 1.00 0.00 C C HETATM 164 O END A 10 0.671 4.485 6.610 1.00 0.00 O O ATOM 165 N ILE A 11 0.373 6.584 5.853 1.00 0.00 N N ATOM 166 H ILE A 11 -0.159 7.180 5.286 1.00 0.00 H H ATOM 167 CA ILE A 11 1.499 7.130 6.601 1.00 0.00 C C ATOM 168 HA ILE A 11 1.652 6.509 7.472 1.00 0.00 H H ATOM 169 CB ILE A 11 2.791 7.117 5.763 1.00 0.00 C C ATOM 170 HB ILE A 11 2.614 7.680 4.860 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.923 7.789 6.526 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.854 7.632 6.000 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.727 8.848 6.600 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.992 7.364 7.516 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.170 5.681 5.392 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.315 5.192 4.953 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.976 5.704 4.673 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.623 4.852 6.573 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.580 5.212 6.921 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 2.897 4.930 7.368 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.716 3.818 6.272 1.00 0.00 H H ATOM 182 C ILE A 11 1.215 8.557 7.055 1.00 0.00 C C ATOM 183 O ILE A 11 1.620 8.965 8.144 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 7 25 24 CONECT 3 1 4 5 6 CONECT 7 1 8 22 23 CONECT 8 20 21 7 9 CONECT 10 11 13 9 CONECT 14 19 9 15 CONECT 11 16 12 10 CONECT 15 14 16 18 CONECT 9 14 10 8 CONECT 16 11 17 15 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 3 2 7 CONECT 24 23 CONECT 25 26 27 23 CONECT 53 46 54 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 71 72 57 CONECT 57 70 58 69 55 CONECT 58 59 67 68 57 CONECT 60 59 62 61 CONECT 59 58 60 65 66 CONECT 56 55 CONECT 69 57 CONECT 55 56 53 57 CONECT 62 64 60 63 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 91 90 CONECT 74 72 75 88 89 CONECT 75 74 76 80 87 CONECT 81 80 83 84 82 CONECT 80 75 81 86 85 CONECT 76 75 77 78 79 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 70 73 74 CONECT 90 89 CONECT 91 92 93 89 CONECT 119 112 120 121 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 133 134 CONECT 123 131 132 121 124 CONECT 124 130 123 129 125 CONECT 125 128 126 124 127 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 123 119 122 CONECT 133 132 CONECT 129 124 CONECT 142 136 143 144 CONECT 134 132 136 135 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 165 146 164 CONECT 146 147 163 162 144 CONECT 147 146 148 160 161 CONECT 149 158 157 150 148 CONECT 148 159 154 149 147 CONECT 151 154 150 152 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 146 142 145 CONECT 150 151 149 156 CONECT 154 155 151 148 CONECT 152 151 153 CONECT 164 163 CONECT 165 166 163 167 MODEL 18 HETATM 1 N DNP A 1 1.384 0.010 -0.010 1.00 0.00 N N HETATM 2 H DNP A 1 1.743 -0.902 -0.272 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.881 0.331 1.346 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.495 -0.510 1.737 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.507 1.250 1.290 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.030 0.505 2.038 1.00 0.00 H H HETATM 7 CA DNP A 1 1.872 1.006 -1.008 1.00 0.00 C C HETATM 8 CB DNP A 1 1.222 0.731 -2.366 1.00 0.00 C C HETATM 9 CG DNP A 1 1.508 1.775 -3.418 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.367 3.113 -3.086 1.00 0.00 C C HETATM 11 CE1 DNP A 1 1.628 4.097 -4.027 1.00 0.00 C C HETATM 12 1HE DNP A 1 1.511 5.168 -3.755 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.045 3.397 -2.060 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.913 1.421 -4.698 1.00 0.00 C C HETATM 15 CE2 DNP A 1 2.177 2.405 -5.637 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.035 3.741 -5.302 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.245 4.531 -6.055 1.00 0.00 H H HETATM 18 2HE DNP A 1 2.505 2.121 -6.660 1.00 0.00 H H HETATM 19 2HD DNP A 1 2.025 0.351 -4.969 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.119 0.650 -2.230 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.613 -0.244 -2.737 1.00 0.00 H H HETATM 22 HA DNP A 1 1.597 2.025 -0.648 1.00 0.00 H H HETATM 23 C DNP A 1 3.380 0.920 -1.182 1.00 0.00 C C HETATM 24 O DNP A 1 3.887 -0.198 -1.272 1.00 0.00 O O ATOM 25 N ILE A 2 4.087 2.043 -1.244 1.00 0.00 N N ATOM 26 H ILE A 2 3.626 2.904 -1.166 1.00 0.00 H H ATOM 27 CA ILE A 2 5.534 2.026 -1.423 1.00 0.00 C C ATOM 28 HA ILE A 2 5.813 1.046 -1.783 1.00 0.00 H H ATOM 29 CB ILE A 2 5.985 3.070 -2.461 1.00 0.00 C C ATOM 30 HB ILE A 2 7.048 2.957 -2.614 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.287 2.831 -3.791 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.665 1.924 -4.238 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.224 2.735 -3.627 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.475 3.664 -4.452 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.702 4.484 -1.950 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.613 4.461 -0.875 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.523 5.130 -2.225 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.430 5.085 -2.508 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.526 5.201 -3.578 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.598 4.434 -2.289 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.260 6.052 -2.056 1.00 0.00 H H ATOM 42 C ILE A 2 6.254 2.291 -0.105 1.00 0.00 C C ATOM 43 O ILE A 2 7.398 2.746 -0.092 1.00 0.00 O O ATOM 44 N SER A 3 5.578 2.001 1.002 1.00 0.00 N N ATOM 45 H SER A 3 4.669 1.641 0.926 1.00 0.00 H H ATOM 46 CA SER A 3 6.152 2.209 2.325 1.00 0.00 C C ATOM 47 HA SER A 3 5.554 1.660 3.037 1.00 0.00 H H ATOM 48 CB SER A 3 7.588 1.683 2.370 1.00 0.00 C C ATOM 49 1HB SER A 3 7.787 1.112 1.476 1.00 0.00 H H ATOM 50 2HB SER A 3 8.273 2.516 2.425 1.00 0.00 H H ATOM 51 OG SER A 3 7.791 0.849 3.498 1.00 0.00 O O ATOM 52 HG SER A 3 8.574 0.312 3.363 1.00 0.00 H H ATOM 53 C SER A 3 6.129 3.688 2.701 1.00 0.00 C C ATOM 54 O SER A 3 5.585 4.067 3.737 1.00 0.00 O O HETATM 55 N DGN A 4 6.724 4.517 1.850 1.00 0.00 N N HETATM 56 H DGN A 4 7.141 4.154 1.041 1.00 0.00 H H HETATM 57 CA DGN A 4 6.773 5.965 2.094 1.00 0.00 C C HETATM 58 CB DGN A 4 7.735 6.257 3.245 1.00 0.00 C C HETATM 59 CG DGN A 4 9.083 5.591 2.966 1.00 0.00 C C HETATM 60 CD DGN A 4 9.648 6.118 1.673 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.344 7.111 1.676 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.383 5.487 0.512 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 10.049 4.910 0.109 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 8.523 5.609 0.080 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.773 5.811 3.780 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.946 4.512 2.888 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.875 7.333 3.339 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.321 5.862 4.173 1.00 0.00 H H HETATM 69 HA DGN A 4 7.120 6.473 1.194 1.00 0.00 H H HETATM 70 C DGN A 4 5.396 6.460 2.451 1.00 0.00 C C HETATM 71 O DGN A 4 5.217 7.157 3.448 1.00 0.00 O O HETATM 72 N DAI A 5 4.413 6.099 1.634 1.00 0.00 N N HETATM 73 H DAI A 5 4.619 5.542 0.854 1.00 0.00 H H HETATM 74 CA DAI A 5 3.024 6.515 1.870 1.00 0.00 C C HETATM 75 CB DAI A 5 2.085 5.684 0.992 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.210 6.141 -0.463 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.214 5.270 -1.119 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.364 6.781 -0.716 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.138 6.697 -0.591 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.466 4.206 1.097 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.440 3.775 2.564 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.952 2.803 2.649 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.460 3.704 2.940 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.888 4.510 3.150 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.754 3.606 0.529 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.468 4.059 0.693 1.00 0.00 H H HETATM 87 HB DAI A 5 1.058 5.819 1.329 1.00 0.00 H H HETATM 88 HA DAI A 5 2.771 6.362 2.919 1.00 0.00 H H HETATM 89 C DAI A 5 2.871 7.975 1.525 1.00 0.00 C C HETATM 90 O DAI A 5 3.859 8.682 1.325 1.00 0.00 O O ATOM 91 N ILE A 6 1.626 8.434 1.454 1.00 0.00 N N ATOM 92 H ILE A 6 0.880 7.821 1.624 1.00 0.00 H H ATOM 93 CA ILE A 6 1.343 9.826 1.131 1.00 0.00 C C ATOM 94 HA ILE A 6 2.219 10.409 1.374 1.00 0.00 H H ATOM 95 CB ILE A 6 1.042 10.006 -0.369 1.00 0.00 C C ATOM 96 HB ILE A 6 1.954 9.835 -0.919 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.013 8.984 -0.829 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.454 8.339 -1.574 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.307 8.391 0.015 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.838 9.496 -1.253 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.549 11.428 -0.646 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.529 11.431 -0.666 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.892 12.080 0.145 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.041 11.992 -1.960 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.727 13.022 -2.050 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.118 11.938 -1.996 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.625 11.418 -2.776 1.00 0.00 H H ATOM 108 C ILE A 6 0.162 10.350 1.941 1.00 0.00 C C ATOM 109 O ILE A 6 0.139 11.513 2.344 1.00 0.00 O O ATOM 110 N SER A 7 -0.817 9.483 2.178 1.00 0.00 N N ATOM 111 H SER A 7 -0.741 8.569 1.830 1.00 0.00 H H ATOM 112 CA SER A 7 -2.003 9.858 2.939 1.00 0.00 C C ATOM 113 HA SER A 7 -2.072 10.935 2.935 1.00 0.00 H H ATOM 114 CB SER A 7 -3.259 9.276 2.286 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.244 8.200 2.379 1.00 0.00 H H ATOM 116 2HB SER A 7 -4.134 9.668 2.784 1.00 0.00 H H ATOM 117 OG SER A 7 -3.324 9.615 0.912 1.00 0.00 O O ATOM 118 HG SER A 7 -4.212 9.455 0.584 1.00 0.00 H H ATOM 119 C SER A 7 -1.897 9.376 4.383 1.00 0.00 C C ATOM 120 O SER A 7 -1.368 8.299 4.651 1.00 0.00 O O HETATM 121 N DTH A 8 -2.404 10.185 5.308 1.00 0.00 N N HETATM 122 H DTH A 8 -2.812 11.031 5.031 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.366 9.840 6.736 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.945 10.030 7.270 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.458 11.441 6.931 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.291 11.386 6.140 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.300 12.044 6.592 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 -0.018 11.897 7.817 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.076 9.069 6.666 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.941 9.895 8.351 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.050 10.487 7.284 1.00 0.00 H H HETATM 132 C DTH A 8 -2.781 8.402 6.916 1.00 0.00 C C HETATM 133 O DTH A 8 -2.229 7.687 7.751 1.00 0.00 O O ATOM 134 N ALA A 9 -3.763 7.972 6.130 1.00 0.00 N N ATOM 135 H ALA A 9 -4.164 8.590 5.484 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.256 6.602 6.204 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.833 6.504 7.112 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.173 6.308 5.027 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.878 7.118 4.909 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.584 6.208 4.127 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.709 5.388 5.210 1.00 0.00 H H ATOM 142 C ALA A 9 -3.103 5.605 6.241 1.00 0.00 C C ATOM 143 O ALA A 9 -2.921 4.820 7.146 1.00 0.00 O O HETATM 144 N END A 10 -2.240 5.630 5.163 1.00 0.00 N N HETATM 145 H END A 10 -2.441 6.331 4.403 1.00 0.00 H H HETATM 146 CA END A 10 -1.101 4.699 5.123 1.00 0.00 C C HETATM 147 CB END A 10 -0.655 4.491 3.661 1.00 0.00 C C HETATM 148 CG END A 10 -1.783 4.549 2.613 1.00 0.00 C C HETATM 149 CD END A 10 -1.217 4.295 1.203 1.00 0.00 C C HETATM 150 ND END A 10 -1.818 2.999 0.846 1.00 0.00 N N HETATM 151 CZ END A 10 -2.708 2.637 1.834 1.00 0.00 C C HETATM 152 NZ END A 10 -3.426 1.555 1.769 1.00 0.00 N N HETATM 153 HZ END A 10 -4.092 1.317 2.549 1.00 0.00 H H HETATM 154 NG END A 10 -2.777 3.508 2.896 1.00 0.00 N N HETATM 155 HNG END A 10 -3.426 3.403 3.720 1.00 0.00 H H HETATM 156 HND END A 10 -1.634 2.409 -0.006 1.00 0.00 H H HETATM 157 1HD END A 10 -1.532 5.080 0.483 1.00 0.00 H H HETATM 158 2HD END A 10 -0.109 4.220 1.209 1.00 0.00 H H HETATM 159 HG END A 10 -2.257 5.557 2.654 1.00 0.00 H H HETATM 160 2HB END A 10 0.085 5.280 3.412 1.00 0.00 H H HETATM 161 3HB END A 10 -0.171 3.492 3.588 1.00 0.00 H H HETATM 162 HA END A 10 -1.411 3.723 5.562 1.00 0.00 H H HETATM 163 C END A 10 0.051 5.266 5.927 1.00 0.00 C C HETATM 164 O END A 10 0.672 4.453 6.612 1.00 0.00 O O ATOM 165 N ILE A 11 0.371 6.554 5.864 1.00 0.00 N N ATOM 166 H ILE A 11 -0.162 7.153 5.300 1.00 0.00 H H ATOM 167 CA ILE A 11 1.496 7.099 6.614 1.00 0.00 C C ATOM 168 HA ILE A 11 1.649 6.475 7.483 1.00 0.00 H H ATOM 169 CB ILE A 11 2.788 7.091 5.777 1.00 0.00 C C ATOM 170 HB ILE A 11 2.610 7.658 4.876 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.920 7.760 6.542 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 4.859 7.549 6.053 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.758 8.827 6.564 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 3.946 7.379 7.552 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.168 5.657 5.399 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.314 5.170 4.955 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.974 5.684 4.680 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.620 4.822 6.576 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.695 4.722 6.555 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.319 5.301 7.495 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.167 3.842 6.516 1.00 0.00 H H ATOM 182 C ILE A 11 1.211 8.524 7.075 1.00 0.00 C C ATOM 183 O ILE A 11 1.650 8.941 8.147 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 24 25 7 CONECT 3 1 4 5 6 CONECT 7 22 23 1 8 CONECT 8 7 9 20 21 CONECT 10 9 13 11 CONECT 14 19 9 15 CONECT 11 16 12 10 CONECT 15 16 14 18 CONECT 9 14 10 8 CONECT 16 11 15 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 2 3 7 CONECT 24 23 CONECT 25 23 26 27 CONECT 53 46 54 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 71 72 57 CONECT 57 58 69 70 55 CONECT 58 68 59 67 57 CONECT 60 62 59 61 CONECT 59 65 66 58 60 CONECT 56 55 CONECT 69 57 CONECT 55 53 57 56 CONECT 62 63 60 64 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 74 91 90 CONECT 74 72 75 88 89 CONECT 75 74 76 87 80 CONECT 81 80 84 83 82 CONECT 80 75 86 81 85 CONECT 76 75 77 78 79 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 70 73 74 CONECT 90 89 CONECT 91 93 92 89 CONECT 119 120 121 112 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 133 123 134 CONECT 123 124 131 132 121 CONECT 124 125 129 130 123 CONECT 125 124 127 128 126 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 119 122 123 CONECT 133 132 CONECT 129 124 CONECT 142 144 143 136 CONECT 134 132 136 135 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 165 164 146 CONECT 146 144 162 163 147 CONECT 147 146 161 148 160 CONECT 149 150 148 158 157 CONECT 148 147 149 159 154 CONECT 151 150 152 154 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 145 146 142 CONECT 150 156 149 151 CONECT 154 155 148 151 CONECT 152 153 151 CONECT 164 163 CONECT 165 166 163 167 MODEL 19 HETATM 1 N DNP A 1 1.377 0.010 -0.012 1.00 0.00 N N HETATM 2 H DNP A 1 1.737 -0.902 -0.274 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.874 0.330 1.345 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.488 -0.511 1.735 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.500 1.249 1.289 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.023 0.504 2.037 1.00 0.00 H H HETATM 7 CA DNP A 1 1.865 1.007 -1.010 1.00 0.00 C C HETATM 8 CB DNP A 1 1.215 0.732 -2.367 1.00 0.00 C C HETATM 9 CG DNP A 1 1.502 1.776 -3.420 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.361 3.115 -3.087 1.00 0.00 C C HETATM 11 CE1 DNP A 1 1.622 4.098 -4.028 1.00 0.00 C C HETATM 12 1HE DNP A 1 1.505 5.169 -3.756 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.038 3.398 -2.061 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.906 1.422 -4.699 1.00 0.00 C C HETATM 15 CE2 DNP A 1 2.172 2.406 -5.638 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.029 3.743 -5.303 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.239 4.532 -6.055 1.00 0.00 H H HETATM 18 2HE DNP A 1 2.499 2.123 -6.661 1.00 0.00 H H HETATM 19 2HD DNP A 1 2.018 0.352 -4.971 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.112 0.651 -2.232 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.606 -0.243 -2.739 1.00 0.00 H H HETATM 22 HA DNP A 1 1.590 2.025 -0.649 1.00 0.00 H H HETATM 23 C DNP A 1 3.373 0.921 -1.184 1.00 0.00 C C HETATM 24 O DNP A 1 3.881 -0.197 -1.274 1.00 0.00 O O ATOM 25 N ILE A 2 4.081 2.044 -1.245 1.00 0.00 N N ATOM 26 H ILE A 2 3.619 2.905 -1.167 1.00 0.00 H H ATOM 27 CA ILE A 2 5.527 2.026 -1.424 1.00 0.00 C C ATOM 28 HA ILE A 2 5.806 1.047 -1.784 1.00 0.00 H H ATOM 29 CB ILE A 2 5.978 3.071 -2.461 1.00 0.00 C C ATOM 30 HB ILE A 2 7.041 2.958 -2.615 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.280 2.833 -3.792 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.661 1.928 -4.241 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.217 2.732 -3.627 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.465 3.668 -4.451 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.695 4.485 -1.950 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.606 4.462 -0.876 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.516 5.131 -2.226 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.423 5.086 -2.508 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.519 5.202 -3.578 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.591 4.435 -2.289 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.253 6.052 -2.056 1.00 0.00 H H ATOM 42 C ILE A 2 6.248 2.291 -0.106 1.00 0.00 C C ATOM 43 O ILE A 2 7.391 2.746 -0.093 1.00 0.00 O O ATOM 44 N SER A 3 5.571 2.001 1.000 1.00 0.00 N N ATOM 45 H SER A 3 4.662 1.640 0.924 1.00 0.00 H H ATOM 46 CA SER A 3 6.146 2.209 2.324 1.00 0.00 C C ATOM 47 HA SER A 3 5.547 1.659 3.036 1.00 0.00 H H ATOM 48 CB SER A 3 7.581 1.682 2.369 1.00 0.00 C C ATOM 49 1HB SER A 3 7.781 1.112 1.475 1.00 0.00 H H ATOM 50 2HB SER A 3 8.266 2.516 2.425 1.00 0.00 H H ATOM 51 OG SER A 3 7.784 0.849 3.497 1.00 0.00 O O ATOM 52 HG SER A 3 8.725 0.737 3.647 1.00 0.00 H H ATOM 53 C SER A 3 6.122 3.687 2.700 1.00 0.00 C C ATOM 54 O SER A 3 5.578 4.066 3.736 1.00 0.00 O O HETATM 55 N DGN A 4 6.717 4.517 1.850 1.00 0.00 N N HETATM 56 H DGN A 4 7.134 4.154 1.040 1.00 0.00 H H HETATM 57 CA DGN A 4 6.766 5.965 2.094 1.00 0.00 C C HETATM 58 CB DGN A 4 7.728 6.256 3.245 1.00 0.00 C C HETATM 59 CG DGN A 4 9.076 5.590 2.966 1.00 0.00 C C HETATM 60 CD DGN A 4 9.641 6.118 1.673 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.336 7.111 1.677 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.376 5.487 0.512 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 10.042 4.911 0.109 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 8.516 5.610 0.080 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.766 5.810 3.780 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.939 4.512 2.888 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.868 7.333 3.340 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.314 5.861 4.173 1.00 0.00 H H HETATM 69 HA DGN A 4 7.113 6.473 1.194 1.00 0.00 H H HETATM 70 C DGN A 4 5.389 6.459 2.452 1.00 0.00 C C HETATM 71 O DGN A 4 5.210 7.156 3.449 1.00 0.00 O O HETATM 72 N DAI A 5 4.406 6.099 1.634 1.00 0.00 N N HETATM 73 H DAI A 5 4.612 5.542 0.854 1.00 0.00 H H HETATM 74 CA DAI A 5 3.017 6.514 1.871 1.00 0.00 C C HETATM 75 CB DAI A 5 2.078 5.683 0.993 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.203 6.141 -0.463 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.208 5.271 -1.119 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.357 6.782 -0.715 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.131 6.698 -0.590 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.458 4.206 1.096 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.433 3.774 2.564 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.946 2.802 2.648 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.453 3.704 2.939 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.880 4.509 3.150 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.747 3.606 0.528 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.461 4.059 0.692 1.00 0.00 H H HETATM 87 HB DAI A 5 1.051 5.819 1.329 1.00 0.00 H H HETATM 88 HA DAI A 5 2.764 6.360 2.919 1.00 0.00 H H HETATM 89 C DAI A 5 2.864 7.974 1.526 1.00 0.00 C C HETATM 90 O DAI A 5 3.852 8.681 1.327 1.00 0.00 O O ATOM 91 N ILE A 6 1.619 8.433 1.456 1.00 0.00 N N ATOM 92 H ILE A 6 0.873 7.821 1.625 1.00 0.00 H H ATOM 93 CA ILE A 6 1.336 9.826 1.133 1.00 0.00 C C ATOM 94 HA ILE A 6 2.212 10.409 1.377 1.00 0.00 H H ATOM 95 CB ILE A 6 1.035 10.006 -0.367 1.00 0.00 C C ATOM 96 HB ILE A 6 1.948 9.836 -0.917 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.006 8.985 -0.828 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.448 8.340 -1.574 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.313 8.391 0.015 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.844 9.496 -1.252 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.543 11.428 -0.643 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.536 11.432 -0.664 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.885 12.080 0.148 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.034 11.993 -1.958 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.718 13.022 -2.048 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.112 11.942 -1.992 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.621 11.418 -2.774 1.00 0.00 H H ATOM 108 C ILE A 6 0.154 10.349 1.943 1.00 0.00 C C ATOM 109 O ILE A 6 0.131 11.512 2.346 1.00 0.00 O O ATOM 110 N SER A 7 -0.825 9.481 2.179 1.00 0.00 N N ATOM 111 H SER A 7 -0.748 8.568 1.830 1.00 0.00 H H ATOM 112 CA SER A 7 -2.011 9.856 2.939 1.00 0.00 C C ATOM 113 HA SER A 7 -2.081 10.933 2.936 1.00 0.00 H H ATOM 114 CB SER A 7 -3.266 9.274 2.286 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.197 8.197 2.276 1.00 0.00 H H ATOM 116 2HB SER A 7 -4.136 9.573 2.854 1.00 0.00 H H ATOM 117 OG SER A 7 -3.409 9.736 0.954 1.00 0.00 O O ATOM 118 HG SER A 7 -2.881 9.190 0.368 1.00 0.00 H H ATOM 119 C SER A 7 -1.905 9.374 4.383 1.00 0.00 C C ATOM 120 O SER A 7 -1.377 8.296 4.652 1.00 0.00 O O HETATM 121 N DTH A 8 -2.412 10.182 5.309 1.00 0.00 N N HETATM 122 H DTH A 8 -2.821 11.029 5.032 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.375 9.837 6.736 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.954 10.027 7.271 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.467 11.437 6.932 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.092 11.414 5.996 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.324 12.102 6.826 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 0.179 11.801 7.731 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.085 9.065 6.667 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.951 9.892 8.352 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.060 10.483 7.285 1.00 0.00 H H HETATM 132 C DTH A 8 -2.790 8.399 6.916 1.00 0.00 C C HETATM 133 O DTH A 8 -2.238 7.683 7.751 1.00 0.00 O O ATOM 134 N ALA A 9 -3.771 7.969 6.130 1.00 0.00 N N ATOM 135 H ALA A 9 -4.172 8.587 5.484 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.264 6.599 6.203 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.842 6.500 7.111 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.182 6.305 5.025 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.886 7.115 4.907 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.592 6.206 4.126 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.718 5.385 5.208 1.00 0.00 H H ATOM 142 C ALA A 9 -3.111 5.602 6.240 1.00 0.00 C C ATOM 143 O ALA A 9 -2.930 4.816 7.144 1.00 0.00 O O HETATM 144 N END A 10 -2.248 5.628 5.162 1.00 0.00 N N HETATM 145 H END A 10 -2.449 6.329 4.402 1.00 0.00 H H HETATM 146 CA END A 10 -1.109 4.696 5.122 1.00 0.00 C C HETATM 147 CB END A 10 -0.662 4.489 3.660 1.00 0.00 C C HETATM 148 CG END A 10 -1.791 4.548 2.612 1.00 0.00 C C HETATM 149 CD END A 10 -1.224 4.295 1.202 1.00 0.00 C C HETATM 150 ND END A 10 -1.825 2.999 0.843 1.00 0.00 N N HETATM 151 CZ END A 10 -2.715 2.636 1.831 1.00 0.00 C C HETATM 152 NZ END A 10 -3.432 1.554 1.765 1.00 0.00 N N HETATM 153 HZ END A 10 -4.099 1.316 2.545 1.00 0.00 H H HETATM 154 NG END A 10 -2.784 3.506 2.894 1.00 0.00 N N HETATM 155 HNG END A 10 -3.433 3.401 3.717 1.00 0.00 H H HETATM 156 HND END A 10 -1.640 2.409 -0.009 1.00 0.00 H H HETATM 157 1HD END A 10 -1.539 5.080 0.482 1.00 0.00 H H HETATM 158 2HD END A 10 -0.116 4.219 1.208 1.00 0.00 H H HETATM 159 HG END A 10 -2.264 5.555 2.653 1.00 0.00 H H HETATM 160 2HB END A 10 0.077 5.279 3.411 1.00 0.00 H H HETATM 161 3HB END A 10 -0.179 3.491 3.586 1.00 0.00 H H HETATM 162 HA END A 10 -1.419 3.720 5.560 1.00 0.00 H H HETATM 163 C END A 10 0.042 5.264 5.926 1.00 0.00 C C HETATM 164 O END A 10 0.663 4.450 6.610 1.00 0.00 O O ATOM 165 N ILE A 11 0.363 6.552 5.864 1.00 0.00 N N ATOM 166 H ILE A 11 -0.170 7.150 5.300 1.00 0.00 H H ATOM 167 CA ILE A 11 1.487 7.096 6.615 1.00 0.00 C C ATOM 168 HA ILE A 11 1.641 6.471 7.483 1.00 0.00 H H ATOM 169 CB ILE A 11 2.780 7.089 5.777 1.00 0.00 C C ATOM 170 HB ILE A 11 2.602 7.656 4.877 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.911 7.758 6.543 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 3.945 8.807 6.290 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.740 7.650 7.604 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 4.849 7.293 6.280 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.160 5.656 5.399 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.306 5.168 4.956 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.966 5.684 4.680 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.613 4.820 6.575 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.690 4.739 6.566 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.294 5.288 7.494 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.179 3.833 6.504 1.00 0.00 H H ATOM 182 C ILE A 11 1.202 8.521 7.076 1.00 0.00 C C ATOM 183 O ILE A 11 1.652 8.942 8.142 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 7 24 25 CONECT 3 1 4 5 6 CONECT 7 1 23 8 22 CONECT 8 7 9 20 21 CONECT 10 11 9 13 CONECT 14 19 9 15 CONECT 11 10 16 12 CONECT 15 14 16 18 CONECT 9 10 8 14 CONECT 16 11 15 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 2 3 7 CONECT 24 23 CONECT 25 26 23 27 CONECT 53 46 55 54 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 57 71 72 CONECT 57 55 58 69 70 CONECT 58 57 59 68 67 CONECT 60 59 61 62 CONECT 59 58 60 66 65 CONECT 56 55 CONECT 69 57 CONECT 55 53 57 56 CONECT 62 60 63 64 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 90 74 91 CONECT 74 75 88 72 89 CONECT 75 87 76 74 80 CONECT 81 82 83 84 80 CONECT 80 81 86 75 85 CONECT 76 79 77 75 78 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 74 70 CONECT 90 89 CONECT 91 92 93 89 CONECT 119 112 121 120 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 133 123 134 CONECT 123 121 124 131 132 CONECT 124 130 125 123 129 CONECT 125 124 128 126 127 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 122 123 119 CONECT 133 132 CONECT 129 124 CONECT 142 136 143 144 CONECT 134 136 135 132 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 164 165 146 CONECT 146 162 144 163 147 CONECT 147 146 148 160 161 CONECT 149 158 157 148 150 CONECT 148 154 159 147 149 CONECT 151 154 152 150 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 146 142 145 CONECT 150 156 151 149 CONECT 154 155 148 151 CONECT 152 153 151 CONECT 164 163 CONECT 165 167 166 163 MODEL 20 HETATM 1 N DNP A 1 1.390 -0.001 -0.019 1.00 0.00 N N HETATM 2 H DNP A 1 1.749 -0.914 -0.281 1.00 0.00 H H HETATM 3 C10 DNP A 1 1.887 0.319 1.337 1.00 0.00 C C HETATM 4 1H1 DNP A 1 2.501 -0.521 1.728 1.00 0.00 H H HETATM 5 2H1 DNP A 1 2.512 1.239 1.282 1.00 0.00 H H HETATM 6 3H1 DNP A 1 1.035 0.492 2.029 1.00 0.00 H H HETATM 7 CA DNP A 1 1.878 0.995 -1.017 1.00 0.00 C C HETATM 8 CB DNP A 1 1.229 0.719 -2.375 1.00 0.00 C C HETATM 9 CG DNP A 1 1.516 1.763 -3.428 1.00 0.00 C C HETATM 10 CD1 DNP A 1 1.374 3.101 -3.095 1.00 0.00 C C HETATM 11 CE1 DNP A 1 1.635 4.085 -4.036 1.00 0.00 C C HETATM 12 1HE DNP A 1 1.517 5.156 -3.765 1.00 0.00 H H HETATM 13 1HD DNP A 1 1.051 3.385 -2.070 1.00 0.00 H H HETATM 14 CD2 DNP A 1 1.921 1.409 -4.707 1.00 0.00 C C HETATM 15 CE2 DNP A 1 2.186 2.393 -5.646 1.00 0.00 C C HETATM 16 CZ DNP A 1 2.043 3.729 -5.311 1.00 0.00 C C HETATM 17 HZ DNP A 1 2.253 4.519 -6.064 1.00 0.00 H H HETATM 18 2HE DNP A 1 2.515 2.109 -6.669 1.00 0.00 H H HETATM 19 2HD DNP A 1 2.034 0.339 -4.978 1.00 0.00 H H HETATM 20 2HB DNP A 1 0.127 0.637 -2.241 1.00 0.00 H H HETATM 21 3HB DNP A 1 1.622 -0.255 -2.746 1.00 0.00 H H HETATM 22 HA DNP A 1 1.603 2.014 -0.658 1.00 0.00 H H HETATM 23 C DNP A 1 3.387 0.910 -1.190 1.00 0.00 C C HETATM 24 O DNP A 1 3.895 -0.209 -1.279 1.00 0.00 O O ATOM 25 N ILE A 2 4.093 2.033 -1.251 1.00 0.00 N N ATOM 26 H ILE A 2 3.631 2.893 -1.174 1.00 0.00 H H ATOM 27 CA ILE A 2 5.540 2.016 -1.430 1.00 0.00 C C ATOM 28 HA ILE A 2 5.820 1.036 -1.789 1.00 0.00 H H ATOM 29 CB ILE A 2 5.992 3.061 -2.467 1.00 0.00 C C ATOM 30 HB ILE A 2 7.054 2.948 -2.620 1.00 0.00 H H ATOM 31 CG2 ILE A 2 5.294 2.821 -3.798 1.00 0.00 C C ATOM 32 1HG2 ILE A 2 5.671 1.912 -4.243 1.00 0.00 H H ATOM 33 2HG2 ILE A 2 4.231 2.728 -3.635 1.00 0.00 H H ATOM 34 3HG2 ILE A 2 5.485 3.653 -4.460 1.00 0.00 H H ATOM 35 CG1 ILE A 2 5.707 4.475 -1.957 1.00 0.00 C C ATOM 36 1HG1 ILE A 2 5.617 4.452 -0.882 1.00 0.00 H H ATOM 37 2HG1 ILE A 2 6.529 5.120 -2.232 1.00 0.00 H H ATOM 38 CD1 ILE A 2 4.436 5.074 -2.516 1.00 0.00 C C ATOM 39 1HD1 ILE A 2 4.532 5.190 -3.586 1.00 0.00 H H ATOM 40 2HD1 ILE A 2 3.603 4.423 -2.297 1.00 0.00 H H ATOM 41 3HD1 ILE A 2 4.265 6.041 -2.064 1.00 0.00 H H ATOM 42 C ILE A 2 6.259 2.281 -0.111 1.00 0.00 C C ATOM 43 O ILE A 2 7.403 2.737 -0.097 1.00 0.00 O O ATOM 44 N SER A 3 5.582 1.991 0.995 1.00 0.00 N N ATOM 45 H SER A 3 4.674 1.631 0.918 1.00 0.00 H H ATOM 46 CA SER A 3 6.156 2.200 2.319 1.00 0.00 C C ATOM 47 HA SER A 3 5.557 1.650 3.030 1.00 0.00 H H ATOM 48 CB SER A 3 7.592 1.674 2.365 1.00 0.00 C C ATOM 49 1HB SER A 3 7.792 1.103 1.471 1.00 0.00 H H ATOM 50 2HB SER A 3 8.276 2.508 2.421 1.00 0.00 H H ATOM 51 OG SER A 3 7.794 0.841 3.494 1.00 0.00 O O ATOM 52 HG SER A 3 8.235 1.340 4.185 1.00 0.00 H H ATOM 53 C SER A 3 6.131 3.679 2.695 1.00 0.00 C C ATOM 54 O SER A 3 5.586 4.058 3.730 1.00 0.00 O O HETATM 55 N DGN A 4 6.727 4.508 1.844 1.00 0.00 N N HETATM 56 H DGN A 4 7.144 4.146 1.035 1.00 0.00 H H HETATM 57 CA DGN A 4 6.775 5.957 2.087 1.00 0.00 C C HETATM 58 CB DGN A 4 7.736 6.248 3.239 1.00 0.00 C C HETATM 59 CG DGN A 4 9.084 5.583 2.961 1.00 0.00 C C HETATM 60 CD DGN A 4 9.650 6.110 1.669 1.00 0.00 C C HETATM 61 OE1 DGN A 4 10.345 7.103 1.672 1.00 0.00 O O HETATM 62 NE2 DGN A 4 9.387 5.478 0.508 1.00 0.00 N N HETATM 63 1HE2 DGN A 4 10.053 4.901 0.106 1.00 0.00 H H HETATM 64 2HE2 DGN A 4 8.527 5.601 0.074 1.00 0.00 H H HETATM 65 2HG DGN A 4 9.774 5.803 3.776 1.00 0.00 H H HETATM 66 3HG DGN A 4 8.948 4.505 2.884 1.00 0.00 H H HETATM 67 2HB DGN A 4 7.875 7.325 3.334 1.00 0.00 H H HETATM 68 3HB DGN A 4 7.321 5.854 4.167 1.00 0.00 H H HETATM 69 HA DGN A 4 7.122 6.464 1.188 1.00 0.00 H H HETATM 70 C DGN A 4 5.398 6.451 2.444 1.00 0.00 C C HETATM 71 O DGN A 4 5.217 7.148 3.441 1.00 0.00 O O HETATM 72 N DAI A 5 4.415 6.089 1.626 1.00 0.00 N N HETATM 73 H DAI A 5 4.622 5.532 0.846 1.00 0.00 H H HETATM 74 CA DAI A 5 3.026 6.505 1.861 1.00 0.00 C C HETATM 75 CB DAI A 5 2.088 5.673 0.982 1.00 0.00 C C HETATM 76 CG2 DAI A 5 2.214 6.131 -0.473 1.00 0.00 C C HETATM 77 1HG2 DAI A 5 2.219 5.260 -1.129 1.00 0.00 H H HETATM 78 2HG2 DAI A 5 1.368 6.771 -0.726 1.00 0.00 H H HETATM 79 3HG2 DAI A 5 3.142 6.688 -0.600 1.00 0.00 H H HETATM 80 CG1 DAI A 5 2.469 4.196 1.087 1.00 0.00 C C HETATM 81 CD1 DAI A 5 2.442 3.764 2.554 1.00 0.00 C C HETATM 82 1HD1 DAI A 5 1.956 2.792 2.639 1.00 0.00 H H HETATM 83 2HD1 DAI A 5 3.463 3.695 2.930 1.00 0.00 H H HETATM 84 3HD1 DAI A 5 1.889 4.499 3.139 1.00 0.00 H H HETATM 85 2HG1 DAI A 5 1.758 3.595 0.518 1.00 0.00 H H HETATM 86 3HG1 DAI A 5 3.472 4.049 0.683 1.00 0.00 H H HETATM 87 HB DAI A 5 1.061 5.808 1.318 1.00 0.00 H H HETATM 88 HA DAI A 5 2.772 6.351 2.909 1.00 0.00 H H HETATM 89 C DAI A 5 2.873 7.964 1.516 1.00 0.00 C C HETATM 90 O DAI A 5 3.860 8.672 1.317 1.00 0.00 O O ATOM 91 N ILE A 6 1.627 8.423 1.444 1.00 0.00 N N ATOM 92 H ILE A 6 0.882 7.810 1.614 1.00 0.00 H H ATOM 93 CA ILE A 6 1.344 9.816 1.121 1.00 0.00 C C ATOM 94 HA ILE A 6 2.220 10.399 1.365 1.00 0.00 H H ATOM 95 CB ILE A 6 1.045 9.995 -0.379 1.00 0.00 C C ATOM 96 HB ILE A 6 1.958 9.825 -0.929 1.00 0.00 H H ATOM 97 CG2 ILE A 6 0.017 8.973 -0.840 1.00 0.00 C C ATOM 98 1HG2 ILE A 6 0.459 8.329 -1.586 1.00 0.00 H H ATOM 99 2HG2 ILE A 6 -0.304 8.380 0.003 1.00 0.00 H H ATOM 100 3HG2 ILE A 6 -0.834 9.484 -1.266 1.00 0.00 H H ATOM 101 CG1 ILE A 6 0.552 11.417 -0.656 1.00 0.00 C C ATOM 102 1HG1 ILE A 6 -0.526 11.420 -0.678 1.00 0.00 H H ATOM 103 2HG1 ILE A 6 0.894 12.069 0.135 1.00 0.00 H H ATOM 104 CD1 ILE A 6 1.045 11.982 -1.970 1.00 0.00 C C ATOM 105 1HD1 ILE A 6 0.729 13.011 -2.061 1.00 0.00 H H ATOM 106 2HD1 ILE A 6 2.122 11.930 -2.004 1.00 0.00 H H ATOM 107 3HD1 ILE A 6 0.631 11.407 -2.787 1.00 0.00 H H ATOM 108 C ILE A 6 0.162 10.338 1.930 1.00 0.00 C C ATOM 109 O ILE A 6 0.138 11.501 2.333 1.00 0.00 O O ATOM 110 N SER A 7 -0.817 9.471 2.165 1.00 0.00 N N ATOM 111 H SER A 7 -0.740 8.557 1.817 1.00 0.00 H H ATOM 112 CA SER A 7 -2.004 9.845 2.925 1.00 0.00 C C ATOM 113 HA SER A 7 -2.074 10.923 2.921 1.00 0.00 H H ATOM 114 CB SER A 7 -3.258 9.263 2.271 1.00 0.00 C C ATOM 115 1HB SER A 7 -3.169 9.335 1.198 1.00 0.00 H H ATOM 116 2HB SER A 7 -3.360 8.225 2.555 1.00 0.00 H H ATOM 117 OG SER A 7 -4.420 9.964 2.681 1.00 0.00 O O ATOM 118 HG SER A 7 -4.508 10.767 2.163 1.00 0.00 H H ATOM 119 C SER A 7 -1.899 9.364 4.369 1.00 0.00 C C ATOM 120 O SER A 7 -1.370 8.286 4.638 1.00 0.00 O O HETATM 121 N DTH A 8 -2.407 10.171 5.294 1.00 0.00 N N HETATM 122 H DTH A 8 -2.816 11.018 5.017 1.00 0.00 H H HETATM 123 CA DTH A 8 -2.371 9.826 6.722 1.00 0.00 C C HETATM 124 CB DTH A 8 -0.950 10.018 7.257 1.00 0.00 C C HETATM 125 CG2 DTH A 8 -0.463 11.428 6.918 1.00 0.00 C C HETATM 126 1HG2 DTH A 8 0.274 11.375 6.117 1.00 0.00 H H HETATM 127 2HG2 DTH A 8 -1.308 12.036 6.595 1.00 0.00 H H HETATM 128 3HG2 DTH A 8 -0.009 11.878 7.801 1.00 0.00 H H HETATM 129 OG1 DTH A 8 -0.081 9.056 6.655 1.00 0.00 O O HETATM 130 HB DTH A 8 -0.948 9.883 8.338 1.00 0.00 H H HETATM 131 HA DTH A 8 -3.056 10.473 7.269 1.00 0.00 H H HETATM 132 C DTH A 8 -2.786 8.389 6.902 1.00 0.00 C C HETATM 133 O DTH A 8 -2.234 7.673 7.737 1.00 0.00 O O ATOM 134 N ALA A 9 -3.766 7.958 6.114 1.00 0.00 N N ATOM 135 H ALA A 9 -4.167 8.576 5.468 1.00 0.00 H H ATOM 136 CA ALA A 9 -4.258 6.588 6.187 1.00 0.00 C C ATOM 137 HA ALA A 9 -4.837 6.489 7.095 1.00 0.00 H H ATOM 138 CB ALA A 9 -5.175 6.293 5.009 1.00 0.00 C C ATOM 139 1HB ALA A 9 -5.879 7.104 4.891 1.00 0.00 H H ATOM 140 2HB ALA A 9 -4.585 6.195 4.110 1.00 0.00 H H ATOM 141 3HB ALA A 9 -5.711 5.374 5.192 1.00 0.00 H H ATOM 142 C ALA A 9 -3.105 5.592 6.225 1.00 0.00 C C ATOM 143 O ALA A 9 -2.924 4.806 7.130 1.00 0.00 O O HETATM 144 N END A 10 -2.241 5.617 5.148 1.00 0.00 N N HETATM 145 H END A 10 -2.441 6.318 4.388 1.00 0.00 H H HETATM 146 CA END A 10 -1.102 4.686 5.109 1.00 0.00 C C HETATM 147 CB END A 10 -0.654 4.479 3.648 1.00 0.00 C C HETATM 148 CG END A 10 -1.782 4.537 2.599 1.00 0.00 C C HETATM 149 CD END A 10 -1.214 4.284 1.189 1.00 0.00 C C HETATM 150 ND END A 10 -1.814 2.987 0.831 1.00 0.00 N N HETATM 151 CZ END A 10 -2.705 2.624 1.818 1.00 0.00 C C HETATM 152 NZ END A 10 -3.422 1.543 1.752 1.00 0.00 N N HETATM 153 HZ END A 10 -4.089 1.304 2.531 1.00 0.00 H H HETATM 154 NG END A 10 -2.775 3.495 2.880 1.00 0.00 N N HETATM 155 HNG END A 10 -3.425 3.390 3.703 1.00 0.00 H H HETATM 156 HND END A 10 -1.628 2.397 -0.021 1.00 0.00 H H HETATM 157 1HD END A 10 -1.528 5.068 0.469 1.00 0.00 H H HETATM 158 2HD END A 10 -0.106 4.209 1.196 1.00 0.00 H H HETATM 159 HG END A 10 -2.255 5.544 2.640 1.00 0.00 H H HETATM 160 2HB END A 10 0.086 5.268 3.399 1.00 0.00 H H HETATM 161 3HB END A 10 -0.170 3.480 3.575 1.00 0.00 H H HETATM 162 HA END A 10 -1.412 3.710 5.548 1.00 0.00 H H HETATM 163 C END A 10 0.049 5.254 5.914 1.00 0.00 C C HETATM 164 O END A 10 0.669 4.441 6.599 1.00 0.00 O O ATOM 165 N ILE A 11 0.369 6.542 5.852 1.00 0.00 N N ATOM 166 H ILE A 11 -0.164 7.140 5.288 1.00 0.00 H H ATOM 167 CA ILE A 11 1.492 7.087 6.604 1.00 0.00 C C ATOM 168 HA ILE A 11 1.646 6.463 7.472 1.00 0.00 H H ATOM 169 CB ILE A 11 2.785 7.080 5.767 1.00 0.00 C C ATOM 170 HB ILE A 11 2.608 7.647 4.867 1.00 0.00 H H ATOM 171 CG2 ILE A 11 3.916 7.749 6.534 1.00 0.00 C C ATOM 172 1HG2 ILE A 11 3.902 8.812 6.341 1.00 0.00 H H ATOM 173 2HG2 ILE A 11 3.785 7.575 7.592 1.00 0.00 H H ATOM 174 3HG2 ILE A 11 4.861 7.337 6.215 1.00 0.00 H H ATOM 175 CG1 ILE A 11 3.166 5.647 5.389 1.00 0.00 C C ATOM 176 1HG1 ILE A 11 2.313 5.159 4.945 1.00 0.00 H H ATOM 177 2HG1 ILE A 11 3.973 5.675 4.671 1.00 0.00 H H ATOM 178 CD1 ILE A 11 3.618 4.811 6.566 1.00 0.00 C C ATOM 179 1HD1 ILE A 11 4.665 4.571 6.457 1.00 0.00 H H ATOM 180 2HD1 ILE A 11 3.468 5.365 7.480 1.00 0.00 H H ATOM 181 3HD1 ILE A 11 3.042 3.897 6.601 1.00 0.00 H H ATOM 182 C ILE A 11 1.206 8.512 7.065 1.00 0.00 C C ATOM 183 O ILE A 11 1.671 8.939 8.122 1.00 0.00 O O ENDMDL CONECT 4 3 CONECT 13 10 CONECT 12 11 CONECT 5 3 CONECT 20 8 CONECT 19 14 CONECT 18 15 CONECT 6 3 CONECT 21 8 CONECT 23 24 7 25 CONECT 3 6 5 4 1 CONECT 7 8 22 23 1 CONECT 8 21 7 9 20 CONECT 10 9 13 11 CONECT 14 15 9 19 CONECT 11 12 16 10 CONECT 15 18 14 16 CONECT 9 8 14 10 CONECT 16 15 11 17 CONECT 2 1 CONECT 22 7 CONECT 17 16 CONECT 1 3 7 2 CONECT 24 23 CONECT 25 27 23 26 CONECT 53 46 54 55 CONECT 63 62 CONECT 67 58 CONECT 64 62 CONECT 65 59 CONECT 68 58 CONECT 66 59 CONECT 70 72 71 57 CONECT 57 69 70 55 58 CONECT 58 57 59 67 68 CONECT 60 62 59 61 CONECT 59 66 58 60 65 CONECT 56 55 CONECT 69 57 CONECT 55 57 56 53 CONECT 62 64 60 63 CONECT 71 70 CONECT 61 60 CONECT 82 81 CONECT 77 76 CONECT 83 81 CONECT 85 80 CONECT 78 76 CONECT 84 81 CONECT 86 80 CONECT 79 76 CONECT 89 91 90 74 CONECT 74 72 89 88 75 CONECT 75 76 80 74 87 CONECT 81 83 84 80 82 CONECT 80 81 75 85 86 CONECT 76 79 77 78 75 CONECT 73 72 CONECT 88 74 CONECT 87 75 CONECT 72 73 70 74 CONECT 90 89 CONECT 91 93 92 89 CONECT 119 120 121 112 CONECT 126 125 CONECT 127 125 CONECT 128 125 CONECT 132 123 133 134 CONECT 123 121 124 132 131 CONECT 124 123 125 129 130 CONECT 125 124 128 126 127 CONECT 122 121 CONECT 131 123 CONECT 130 124 CONECT 121 119 122 123 CONECT 133 132 CONECT 129 124 CONECT 142 143 144 136 CONECT 134 135 132 136 CONECT 157 149 CONECT 160 147 CONECT 158 149 CONECT 161 147 CONECT 163 165 164 146 CONECT 146 144 163 162 147 CONECT 147 160 161 146 148 CONECT 149 157 150 158 148 CONECT 148 159 154 147 149 CONECT 151 152 150 154 CONECT 145 144 CONECT 162 146 CONECT 159 148 CONECT 156 150 CONECT 155 154 CONECT 153 152 CONECT 144 142 145 146 CONECT 150 151 156 149 CONECT 154 155 151 148 CONECT 152 151 153 CONECT 164 163 CONECT 165 167 166 163 END