PFRMAT TS TARGET T0459 AUTHOR SAM-T06-server METHOD The SAM-T06 server uses methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 8 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7 and METHOD AA, str2, near-backbone-11) for finding and aligning more remote METHOD homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. Helix and strand constraints METHOD generated from the secondary-structure predictions are passed to METHOD undertaker to use in the cost function. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. REMARK 6 REMARK 6 T0459 model 4 Tue Jun 17 13:41:26 2008 MODEL 4 PARENT N/A ATOM 2 N LEU 23 1.494 4.926 4.415 1.00 0.00 ATOM 3 CA LEU 23 2.222 4.539 3.205 1.00 0.00 ATOM 4 CB LEU 23 3.382 3.604 3.554 1.00 0.00 ATOM 5 CG LEU 23 4.571 4.242 4.278 1.00 0.00 ATOM 6 CD1 LEU 23 5.548 3.175 4.749 1.00 0.00 ATOM 7 CD2 LEU 23 5.315 5.193 3.355 1.00 0.00 ATOM 8 O LEU 23 1.063 4.286 1.112 1.00 0.00 ATOM 9 C LEU 23 1.299 3.811 2.222 1.00 0.00 ATOM 10 N LEU 24 0.769 2.663 2.643 1.00 0.00 ATOM 11 CA LEU 24 -0.113 1.872 1.789 1.00 0.00 ATOM 12 CB LEU 24 -0.281 0.460 2.354 1.00 0.00 ATOM 13 CG LEU 24 0.969 -0.422 2.355 1.00 0.00 ATOM 14 CD1 LEU 24 0.691 -1.746 3.050 1.00 0.00 ATOM 15 CD2 LEU 24 1.422 -0.716 0.933 1.00 0.00 ATOM 16 O LEU 24 -2.210 2.167 0.671 1.00 0.00 ATOM 17 C LEU 24 -1.514 2.456 1.646 1.00 0.00 ATOM 18 N GLY 25 -1.917 3.279 2.611 1.00 0.00 ATOM 19 CA GLY 25 -3.241 3.879 2.586 1.00 0.00 ATOM 20 O GLY 25 -4.595 5.066 1.017 1.00 0.00 ATOM 21 C GLY 25 -3.471 4.923 1.508 1.00 0.00 ATOM 22 N LYS 26 -2.423 5.667 1.158 1.00 0.00 ATOM 23 CA LYS 26 -2.502 6.694 0.121 1.00 0.00 ATOM 24 CB LYS 26 -1.108 7.230 -0.210 1.00 0.00 ATOM 25 CG LYS 26 -0.439 7.972 0.934 1.00 0.00 ATOM 26 CD LYS 26 0.942 8.469 0.539 1.00 0.00 ATOM 27 CE LYS 26 1.636 9.155 1.703 1.00 0.00 ATOM 28 NZ LYS 26 3.015 9.593 1.348 1.00 0.00 ATOM 29 O LYS 26 -2.683 4.966 -1.540 1.00 0.00 ATOM 30 C LYS 26 -3.125 6.030 -1.109 1.00 0.00 ATOM 31 N LYS 27 -4.174 6.649 -1.673 1.00 0.00 ATOM 32 CA LYS 27 -4.877 6.120 -2.848 1.00 0.00 ATOM 33 CB LYS 27 -5.939 7.109 -3.328 1.00 0.00 ATOM 34 CG LYS 27 -6.740 6.626 -4.528 1.00 0.00 ATOM 35 CD LYS 27 -7.824 7.623 -4.904 1.00 0.00 ATOM 36 CE LYS 27 -8.603 7.156 -6.122 1.00 0.00 ATOM 37 NZ LYS 27 -9.673 8.120 -6.500 1.00 0.00 ATOM 38 O LYS 27 -4.250 4.844 -4.771 1.00 0.00 ATOM 39 C LYS 27 -4.012 5.825 -4.067 1.00 0.00 ATOM 40 N TYR 28 -3.008 6.660 -4.317 1.00 0.00 ATOM 41 CA TYR 28 -2.136 6.428 -5.461 1.00 0.00 ATOM 42 CB TYR 28 -1.250 7.649 -5.716 1.00 0.00 ATOM 43 CG TYR 28 -1.985 8.820 -6.328 1.00 0.00 ATOM 44 CD1 TYR 28 -2.365 9.907 -5.551 1.00 0.00 ATOM 45 CD2 TYR 28 -2.295 8.836 -7.682 1.00 0.00 ATOM 46 CE1 TYR 28 -3.036 10.982 -6.101 1.00 0.00 ATOM 47 CE2 TYR 28 -2.965 9.904 -8.251 1.00 0.00 ATOM 48 CZ TYR 28 -3.335 10.980 -7.447 1.00 0.00 ATOM 49 OH TYR 28 -4.002 12.050 -7.998 1.00 0.00 ATOM 50 O TYR 28 -1.143 4.321 -6.060 1.00 0.00 ATOM 51 C TYR 28 -1.228 5.219 -5.219 1.00 0.00 ATOM 52 N THR 29 -0.560 5.190 -4.067 1.00 0.00 ATOM 53 CA THR 29 0.337 4.084 -3.734 1.00 0.00 ATOM 54 CB THR 29 1.002 4.291 -2.361 1.00 0.00 ATOM 55 CG2 THR 29 1.832 5.565 -2.356 1.00 0.00 ATOM 56 OG1 THR 29 -0.008 4.392 -1.349 1.00 0.00 ATOM 57 O THR 29 0.097 1.741 -4.152 1.00 0.00 ATOM 58 C THR 29 -0.409 2.762 -3.686 1.00 0.00 ATOM 59 N MET 30 -1.613 2.793 -3.116 1.00 0.00 ATOM 60 CA MET 30 -2.444 1.605 -3.008 1.00 0.00 ATOM 61 CB MET 30 -3.764 1.936 -2.310 1.00 0.00 ATOM 62 CG MET 30 -4.690 0.744 -2.132 1.00 0.00 ATOM 63 SD MET 30 -6.238 1.179 -1.318 1.00 0.00 ATOM 64 CE MET 30 -7.073 2.065 -2.632 1.00 0.00 ATOM 65 O MET 30 -2.675 -0.151 -4.625 1.00 0.00 ATOM 66 C MET 30 -2.746 1.062 -4.395 1.00 0.00 ATOM 67 N LEU 31 -3.091 1.967 -5.310 1.00 0.00 ATOM 68 CA LEU 31 -3.390 1.573 -6.679 1.00 0.00 ATOM 69 CB LEU 31 -3.834 2.785 -7.501 1.00 0.00 ATOM 70 CG LEU 31 -5.199 3.380 -7.147 1.00 0.00 ATOM 71 CD1 LEU 31 -5.433 4.677 -7.908 1.00 0.00 ATOM 72 CD2 LEU 31 -6.316 2.412 -7.501 1.00 0.00 ATOM 73 O LEU 31 -2.292 -0.004 -8.113 1.00 0.00 ATOM 74 C LEU 31 -2.176 0.966 -7.363 1.00 0.00 ATOM 75 N ILE 32 -1.005 1.545 -7.116 1.00 0.00 ATOM 76 CA ILE 32 0.236 1.029 -7.694 1.00 0.00 ATOM 77 CB ILE 32 1.440 1.918 -7.332 1.00 0.00 ATOM 78 CG1 ILE 32 1.321 3.282 -8.016 1.00 0.00 ATOM 79 CG2 ILE 32 2.738 1.265 -7.781 1.00 0.00 ATOM 80 CD1 ILE 32 2.313 4.305 -7.511 1.00 0.00 ATOM 81 O ILE 32 0.971 -1.251 -7.924 1.00 0.00 ATOM 82 C ILE 32 0.512 -0.380 -7.175 1.00 0.00 ATOM 83 N ILE 33 0.252 -0.601 -5.887 1.00 0.00 ATOM 84 CA ILE 33 0.486 -1.911 -5.291 1.00 0.00 ATOM 85 CB ILE 33 0.379 -1.859 -3.755 1.00 0.00 ATOM 86 CG1 ILE 33 1.461 -0.945 -3.177 1.00 0.00 ATOM 87 CG2 ILE 33 0.554 -3.249 -3.163 1.00 0.00 ATOM 88 CD1 ILE 33 2.871 -1.391 -3.491 1.00 0.00 ATOM 89 O ILE 33 -0.192 -4.104 -6.008 1.00 0.00 ATOM 90 C ILE 33 -0.532 -2.933 -5.790 1.00 0.00 ATOM 91 N SER 34 -1.778 -2.503 -5.977 1.00 0.00 ATOM 92 CA SER 34 -2.816 -3.398 -6.484 1.00 0.00 ATOM 93 CB SER 34 -4.186 -2.720 -6.421 1.00 0.00 ATOM 94 OG SER 34 -4.580 -2.488 -5.079 1.00 0.00 ATOM 95 O SER 34 -2.724 -4.881 -8.373 1.00 0.00 ATOM 96 C SER 34 -2.496 -3.756 -7.936 1.00 0.00 ATOM 97 N VAL 35 -1.952 -2.795 -8.676 1.00 0.00 ATOM 98 CA VAL 35 -1.578 -3.018 -10.071 1.00 0.00 ATOM 99 CB VAL 35 -1.020 -1.736 -10.717 1.00 0.00 ATOM 100 CG1 VAL 35 -0.455 -2.038 -12.097 1.00 0.00 ATOM 101 CG2 VAL 35 -2.118 -0.694 -10.866 1.00 0.00 ATOM 102 O VAL 35 -0.587 -5.003 -11.005 1.00 0.00 ATOM 103 C VAL 35 -0.507 -4.095 -10.166 1.00 0.00 ATOM 104 N LEU 36 0.488 -3.993 -9.290 1.00 0.00 ATOM 105 CA LEU 36 1.617 -4.920 -9.277 1.00 0.00 ATOM 106 CB LEU 36 2.788 -4.326 -8.494 1.00 0.00 ATOM 107 CG LEU 36 3.425 -3.062 -9.080 1.00 0.00 ATOM 108 CD1 LEU 36 4.508 -2.527 -8.155 1.00 0.00 ATOM 109 CD2 LEU 36 4.056 -3.356 -10.431 1.00 0.00 ATOM 110 O LEU 36 2.041 -7.253 -8.959 1.00 0.00 ATOM 111 C LEU 36 1.352 -6.282 -8.647 1.00 0.00 ATOM 112 N GLY 37 0.364 -6.355 -7.764 1.00 0.00 ATOM 113 CA GLY 37 0.050 -7.601 -7.072 1.00 0.00 ATOM 114 O GLY 37 0.565 -9.852 -7.746 1.00 0.00 ATOM 115 C GLY 37 -0.056 -8.822 -8.003 1.00 0.00 ATOM 116 N GLY 39 -0.833 -8.721 -9.095 1.00 0.00 ATOM 117 CA GLY 39 -0.967 -9.858 -10.016 1.00 0.00 ATOM 118 O GLY 39 0.300 -10.952 -11.744 1.00 0.00 ATOM 119 C GLY 39 0.114 -9.920 -11.100 1.00 0.00 ATOM 120 N SER 40 0.824 -8.816 -11.299 1.00 0.00 ATOM 121 CA SER 40 1.829 -8.742 -12.357 1.00 0.00 ATOM 122 CB SER 40 1.720 -7.414 -13.107 1.00 0.00 ATOM 123 OG SER 40 1.997 -6.319 -12.251 1.00 0.00 ATOM 124 O SER 40 4.152 -9.079 -12.775 1.00 0.00 ATOM 125 C SER 40 3.288 -8.837 -11.934 1.00 0.00 ATOM 126 N THR 41 3.547 -8.646 -10.642 1.00 0.00 ATOM 127 CA THR 41 4.888 -8.694 -10.059 1.00 0.00 ATOM 128 CB THR 41 5.644 -9.967 -10.483 1.00 0.00 ATOM 129 CG2 THR 41 7.005 -10.028 -9.808 1.00 0.00 ATOM 130 OG1 THR 41 4.886 -11.124 -10.106 1.00 0.00 ATOM 131 O THR 41 6.453 -6.946 -9.587 1.00 0.00 ATOM 132 C THR 41 5.794 -7.533 -10.445 1.00 0.00 ATOM 133 N ARG 42 5.843 -7.201 -11.729 1.00 0.00 ATOM 134 CA ARG 42 6.702 -6.105 -12.176 1.00 0.00 ATOM 135 CB ARG 42 8.131 -6.603 -12.400 1.00 0.00 ATOM 136 CG ARG 42 8.266 -7.617 -13.522 1.00 0.00 ATOM 137 CD ARG 42 9.715 -8.037 -13.718 1.00 0.00 ATOM 138 NE ARG 42 9.846 -9.112 -14.698 1.00 0.00 ATOM 139 CZ ARG 42 9.932 -8.920 -16.010 1.00 0.00 ATOM 140 NH1 ARG 42 10.050 -9.959 -16.826 1.00 0.00 ATOM 141 NH2 ARG 42 9.898 -7.690 -16.505 1.00 0.00 ATOM 142 O ARG 42 5.514 -6.121 -14.249 1.00 0.00 ATOM 143 C ARG 42 6.227 -5.487 -13.480 1.00 0.00 ATOM 144 N GLN 43 6.630 -4.246 -13.719 1.00 0.00 ATOM 145 CA GLN 43 6.251 -3.555 -14.944 1.00 0.00 ATOM 146 CB GLN 43 4.808 -3.057 -14.854 1.00 0.00 ATOM 147 CG GLN 43 4.334 -2.300 -16.084 1.00 0.00 ATOM 148 CD GLN 43 2.861 -1.950 -16.022 1.00 0.00 ATOM 149 OE1 GLN 43 2.204 -2.167 -15.003 1.00 0.00 ATOM 150 NE2 GLN 43 2.336 -1.409 -17.115 1.00 0.00 ATOM 151 O GLN 43 7.743 -1.821 -14.229 1.00 0.00 ATOM 152 C GLN 43 7.163 -2.360 -15.173 1.00 0.00 ATOM 153 N ASN 44 7.339 -1.955 -16.440 1.00 0.00 ATOM 154 CA ASN 44 8.198 -0.801 -16.701 1.00 0.00 ATOM 155 CB ASN 44 8.399 -0.611 -18.206 1.00 0.00 ATOM 156 CG ASN 44 9.250 -1.703 -18.822 1.00 0.00 ATOM 157 ND2 ASN 44 9.077 -1.925 -20.120 1.00 0.00 ATOM 158 OD1 ASN 44 10.053 -2.339 -18.138 1.00 0.00 ATOM 159 O ASN 44 6.310 0.572 -16.127 1.00 0.00 ATOM 160 C ASN 44 7.536 0.447 -16.119 1.00 0.00 ATOM 161 N PHE 45 8.359 1.353 -15.610 1.00 0.00 ATOM 162 CA PHE 45 7.898 2.608 -15.038 1.00 0.00 ATOM 163 CB PHE 45 9.084 3.527 -14.739 1.00 0.00 ATOM 164 CG PHE 45 8.688 4.868 -14.188 1.00 0.00 ATOM 165 CD1 PHE 45 8.374 5.017 -12.849 1.00 0.00 ATOM 166 CD2 PHE 45 8.629 5.980 -15.011 1.00 0.00 ATOM 167 CE1 PHE 45 8.010 6.250 -12.343 1.00 0.00 ATOM 168 CE2 PHE 45 8.265 7.212 -14.505 1.00 0.00 ATOM 169 CZ PHE 45 7.956 7.351 -13.176 1.00 0.00 ATOM 170 O PHE 45 5.886 3.767 -15.696 1.00 0.00 ATOM 171 C PHE 45 6.970 3.288 -16.046 1.00 0.00 ATOM 172 N ASN 46 7.393 3.308 -17.308 1.00 0.00 ATOM 173 CA ASN 46 6.609 3.948 -18.357 1.00 0.00 ATOM 174 CB ASN 46 7.322 3.832 -19.706 1.00 0.00 ATOM 175 CG ASN 46 8.532 4.740 -19.806 1.00 0.00 ATOM 176 ND2 ASN 46 9.432 4.424 -20.730 1.00 0.00 ATOM 177 OD1 ASN 46 8.654 5.712 -19.061 1.00 0.00 ATOM 178 O ASN 46 4.277 4.083 -18.880 1.00 0.00 ATOM 179 C ASN 46 5.211 3.355 -18.555 1.00 0.00 ATOM 180 N ASP 47 5.060 2.044 -18.370 1.00 0.00 ATOM 181 CA ASP 47 3.745 1.422 -18.527 1.00 0.00 ATOM 182 CB ASP 47 3.871 -0.102 -18.529 1.00 0.00 ATOM 183 CG ASP 47 4.495 -0.634 -19.804 1.00 0.00 ATOM 184 OD1 ASP 47 4.605 0.140 -20.779 1.00 0.00 ATOM 185 OD2 ASP 47 4.874 -1.823 -19.828 1.00 0.00 ATOM 186 O ASP 47 1.668 2.203 -17.601 1.00 0.00 ATOM 187 C ASP 47 2.819 1.828 -17.381 1.00 0.00 ATOM 188 N ILE 48 3.330 1.748 -16.156 1.00 0.00 ATOM 189 CA ILE 48 2.557 2.109 -14.975 1.00 0.00 ATOM 190 CB ILE 48 3.404 2.007 -13.692 1.00 0.00 ATOM 191 CG1 ILE 48 3.759 0.549 -13.403 1.00 0.00 ATOM 192 CG2 ILE 48 2.638 2.563 -12.502 1.00 0.00 ATOM 193 CD1 ILE 48 4.805 0.376 -12.325 1.00 0.00 ATOM 194 O ILE 48 0.888 3.846 -14.893 1.00 0.00 ATOM 195 C ILE 48 2.064 3.546 -15.118 1.00 0.00 ATOM 196 N ARG 49 2.979 4.425 -15.507 1.00 0.00 ATOM 197 CA ARG 49 2.688 5.841 -15.695 1.00 0.00 ATOM 198 CB ARG 49 3.908 6.568 -16.264 1.00 0.00 ATOM 199 CG ARG 49 3.730 8.072 -16.396 1.00 0.00 ATOM 200 CD ARG 49 4.924 8.711 -17.084 1.00 0.00 ATOM 201 NE ARG 49 5.039 8.294 -18.479 1.00 0.00 ATOM 202 CZ ARG 49 4.296 8.782 -19.468 1.00 0.00 ATOM 203 NH1 ARG 49 4.472 8.341 -20.707 1.00 0.00 ATOM 204 NH2 ARG 49 3.380 9.705 -19.216 1.00 0.00 ATOM 205 O ARG 49 0.605 6.831 -16.383 1.00 0.00 ATOM 206 C ARG 49 1.523 6.059 -16.663 1.00 0.00 ATOM 207 N SER 50 1.563 5.368 -17.798 1.00 0.00 ATOM 208 CA SER 50 0.518 5.488 -18.807 1.00 0.00 ATOM 209 CB SER 50 0.975 4.867 -20.128 1.00 0.00 ATOM 210 OG SER 50 2.048 5.598 -20.692 1.00 0.00 ATOM 211 O SER 50 -1.864 5.419 -18.570 1.00 0.00 ATOM 212 C SER 50 -0.807 4.806 -18.455 1.00 0.00 ATOM 213 N SER 51 -0.761 3.551 -18.023 1.00 0.00 ATOM 214 CA SER 51 -1.998 2.840 -17.708 1.00 0.00 ATOM 215 CB SER 51 -1.706 1.375 -17.379 1.00 0.00 ATOM 216 OG SER 51 -1.212 0.685 -18.514 1.00 0.00 ATOM 217 O SER 51 -3.998 3.438 -16.501 1.00 0.00 ATOM 218 C SER 51 -2.763 3.416 -16.505 1.00 0.00 ATOM 219 N ILE 52 -2.045 3.902 -15.497 1.00 0.00 ATOM 220 CA ILE 52 -2.698 4.470 -14.317 1.00 0.00 ATOM 221 CB ILE 52 -1.876 4.216 -13.039 1.00 0.00 ATOM 222 CG1 ILE 52 -0.529 4.938 -13.119 1.00 0.00 ATOM 223 CG2 ILE 52 -1.616 2.728 -12.861 1.00 0.00 ATOM 224 CD1 ILE 52 0.251 4.920 -11.823 1.00 0.00 ATOM 225 O ILE 52 -3.255 6.655 -13.460 1.00 0.00 ATOM 226 C ILE 52 -2.888 5.990 -14.432 1.00 0.00 ATOM 227 N GLY 54 -2.634 6.526 -15.625 1.00 0.00 ATOM 228 CA GLY 54 -2.781 7.954 -15.908 1.00 0.00 ATOM 229 O GLY 54 -2.846 9.691 -14.241 1.00 0.00 ATOM 230 C GLY 54 -2.165 8.854 -14.838 1.00 0.00 ATOM 231 N ILE 55 -0.870 8.666 -14.609 1.00 0.00 ATOM 232 CA ILE 55 -0.116 9.435 -13.631 1.00 0.00 ATOM 233 CB ILE 55 0.500 8.527 -12.551 1.00 0.00 ATOM 234 CG1 ILE 55 1.267 9.363 -11.524 1.00 0.00 ATOM 235 CG2 ILE 55 1.463 7.532 -13.178 1.00 0.00 ATOM 236 CD1 ILE 55 1.627 8.605 -10.265 1.00 0.00 ATOM 237 O ILE 55 1.500 9.713 -15.384 1.00 0.00 ATOM 238 C ILE 55 1.003 10.173 -14.356 1.00 0.00 ATOM 239 N SER 56 1.404 11.316 -13.823 1.00 0.00 ATOM 240 CA SER 56 2.494 12.057 -14.428 1.00 0.00 ATOM 241 CB SER 56 2.479 13.513 -13.956 1.00 0.00 ATOM 242 OG SER 56 2.777 13.604 -12.575 1.00 0.00 ATOM 243 O SER 56 3.840 10.744 -12.918 1.00 0.00 ATOM 244 C SER 56 3.789 11.361 -13.986 1.00 0.00 ATOM 245 N SER 57 4.847 11.441 -14.804 1.00 0.00 ATOM 246 CA SER 57 6.109 10.796 -14.431 1.00 0.00 ATOM 247 CB SER 57 7.188 11.082 -15.478 1.00 0.00 ATOM 248 OG SER 57 7.515 12.461 -15.510 1.00 0.00 ATOM 249 O SER 57 7.199 10.551 -12.300 1.00 0.00 ATOM 250 C SER 57 6.614 11.306 -13.082 1.00 0.00 ATOM 251 N THR 58 6.368 12.589 -12.816 1.00 0.00 ATOM 252 CA THR 58 6.797 13.212 -11.570 1.00 0.00 ATOM 253 CB THR 58 6.534 14.728 -11.577 1.00 0.00 ATOM 254 CG2 THR 58 6.948 15.347 -10.251 1.00 0.00 ATOM 255 OG1 THR 58 7.288 15.342 -12.630 1.00 0.00 ATOM 256 O THR 58 6.760 12.424 -9.306 1.00 0.00 ATOM 257 C THR 58 6.108 12.685 -10.320 1.00 0.00 ATOM 258 N ILE 59 4.787 12.538 -10.376 1.00 0.00 ATOM 259 CA ILE 59 4.057 12.025 -9.230 1.00 0.00 ATOM 260 CB ILE 59 2.535 12.151 -9.428 1.00 0.00 ATOM 261 CG1 ILE 59 2.118 13.623 -9.436 1.00 0.00 ATOM 262 CG2 ILE 59 1.790 11.447 -8.303 1.00 0.00 ATOM 263 CD1 ILE 59 0.692 13.852 -9.885 1.00 0.00 ATOM 264 O ILE 59 4.565 10.132 -7.861 1.00 0.00 ATOM 265 C ILE 59 4.370 10.557 -8.998 1.00 0.00 ATOM 266 N LEU 60 4.407 9.786 -10.077 1.00 0.00 ATOM 267 CA LEU 60 4.702 8.367 -9.982 1.00 0.00 ATOM 268 CB LEU 60 4.730 7.730 -11.373 1.00 0.00 ATOM 269 CG LEU 60 5.048 6.235 -11.427 1.00 0.00 ATOM 270 CD1 LEU 60 3.993 5.433 -10.679 1.00 0.00 ATOM 271 CD2 LEU 60 5.081 5.745 -12.867 1.00 0.00 ATOM 272 O LEU 60 6.220 7.412 -8.392 1.00 0.00 ATOM 273 C LEU 60 6.061 8.191 -9.324 1.00 0.00 ATOM 274 N SER 61 7.036 8.945 -9.812 1.00 0.00 ATOM 275 CA SER 61 8.390 8.881 -9.284 1.00 0.00 ATOM 276 CB SER 61 9.265 9.962 -9.922 1.00 0.00 ATOM 277 OG SER 61 9.457 9.715 -11.304 1.00 0.00 ATOM 278 O SER 61 9.076 8.324 -7.049 1.00 0.00 ATOM 279 C SER 61 8.433 9.088 -7.770 1.00 0.00 ATOM 280 N ARG 62 7.737 10.111 -7.283 1.00 0.00 ATOM 281 CA ARG 62 7.722 10.387 -5.855 1.00 0.00 ATOM 282 CB ARG 62 6.930 11.664 -5.566 1.00 0.00 ATOM 283 CG ARG 62 7.622 12.939 -6.016 1.00 0.00 ATOM 284 CD ARG 62 6.750 14.160 -5.764 1.00 0.00 ATOM 285 NE ARG 62 7.390 15.393 -6.219 1.00 0.00 ATOM 286 CZ ARG 62 6.813 16.590 -6.185 1.00 0.00 ATOM 287 NH1 ARG 62 7.472 17.655 -6.619 1.00 0.00 ATOM 288 NH2 ARG 62 5.581 16.719 -5.714 1.00 0.00 ATOM 289 O ARG 62 7.590 8.889 -4.001 1.00 0.00 ATOM 290 C ARG 62 7.083 9.265 -5.050 1.00 0.00 ATOM 291 N ARG 63 5.969 8.732 -5.535 1.00 0.00 ATOM 292 CA ARG 63 5.308 7.638 -4.830 1.00 0.00 ATOM 293 CB ARG 63 3.976 7.295 -5.499 1.00 0.00 ATOM 294 CG ARG 63 2.957 8.423 -5.469 1.00 0.00 ATOM 295 CD ARG 63 2.528 8.740 -4.046 1.00 0.00 ATOM 296 NE ARG 63 1.466 9.742 -4.005 1.00 0.00 ATOM 297 CZ ARG 63 1.025 10.319 -2.891 1.00 0.00 ATOM 298 NH1 ARG 63 0.054 11.220 -2.951 1.00 0.00 ATOM 299 NH2 ARG 63 1.556 9.992 -1.721 1.00 0.00 ATOM 300 O ARG 63 6.210 5.650 -3.826 1.00 0.00 ATOM 301 C ARG 63 6.167 6.376 -4.821 1.00 0.00 ATOM 302 N ILE 64 6.852 6.123 -5.931 1.00 0.00 ATOM 303 CA ILE 64 7.722 4.952 -6.044 1.00 0.00 ATOM 304 CB ILE 64 8.356 4.854 -7.444 1.00 0.00 ATOM 305 CG1 ILE 64 7.275 4.638 -8.505 1.00 0.00 ATOM 306 CG2 ILE 64 9.331 3.689 -7.506 1.00 0.00 ATOM 307 CD1 ILE 64 6.487 3.360 -8.323 1.00 0.00 ATOM 308 O ILE 64 9.208 4.023 -4.398 1.00 0.00 ATOM 309 C ILE 64 8.854 5.028 -5.017 1.00 0.00 ATOM 310 N LYS 65 9.407 6.227 -4.833 1.00 0.00 ATOM 311 CA LYS 65 10.485 6.442 -3.865 1.00 0.00 ATOM 312 CB LYS 65 10.961 7.895 -3.906 1.00 0.00 ATOM 313 CG LYS 65 11.720 8.265 -5.170 1.00 0.00 ATOM 314 CD LYS 65 12.163 9.719 -5.142 1.00 0.00 ATOM 315 CE LYS 65 12.902 10.095 -6.416 1.00 0.00 ATOM 316 NZ LYS 65 13.313 11.526 -6.418 1.00 0.00 ATOM 317 O LYS 65 10.716 5.493 -1.670 1.00 0.00 ATOM 318 C LYS 65 10.012 6.133 -2.443 1.00 0.00 ATOM 319 N ASP 66 8.814 6.591 -2.101 1.00 0.00 ATOM 320 CA ASP 66 8.255 6.335 -0.775 1.00 0.00 ATOM 321 CB ASP 66 6.881 6.995 -0.635 1.00 0.00 ATOM 322 CG ASP 66 6.968 8.504 -0.521 1.00 0.00 ATOM 323 OD1 ASP 66 8.085 9.020 -0.309 1.00 0.00 ATOM 324 OD2 ASP 66 5.919 9.170 -0.643 1.00 0.00 ATOM 325 O ASP 66 8.480 4.272 0.471 1.00 0.00 ATOM 326 C ASP 66 8.109 4.821 -0.573 1.00 0.00 ATOM 327 N LEU 67 7.556 4.152 -1.577 1.00 0.00 ATOM 328 CA LEU 67 7.352 2.714 -1.508 1.00 0.00 ATOM 329 CB LEU 67 6.623 2.213 -2.756 1.00 0.00 ATOM 330 CG LEU 67 5.158 2.629 -2.900 1.00 0.00 ATOM 331 CD1 LEU 67 4.614 2.224 -4.260 1.00 0.00 ATOM 332 CD2 LEU 67 4.304 1.970 -1.828 1.00 0.00 ATOM 333 O LEU 67 8.776 1.005 -0.633 1.00 0.00 ATOM 334 C LEU 67 8.667 1.955 -1.406 1.00 0.00 ATOM 335 N ILE 68 9.671 2.372 -2.177 1.00 0.00 ATOM 336 CA ILE 68 10.954 1.677 -2.150 1.00 0.00 ATOM 337 CB ILE 68 11.875 2.147 -3.291 1.00 0.00 ATOM 338 CG1 ILE 68 11.309 1.716 -4.645 1.00 0.00 ATOM 339 CG2 ILE 68 13.264 1.547 -3.136 1.00 0.00 ATOM 340 CD1 ILE 68 12.003 2.356 -5.828 1.00 0.00 ATOM 341 O ILE 68 12.394 0.983 -0.364 1.00 0.00 ATOM 342 C ILE 68 11.725 1.897 -0.846 1.00 0.00 ATOM 343 N ASP 69 11.629 3.095 -0.270 1.00 0.00 ATOM 344 CA ASP 69 12.321 3.371 0.988 1.00 0.00 ATOM 345 CB ASP 69 12.152 4.840 1.383 1.00 0.00 ATOM 346 CG ASP 69 12.961 5.776 0.507 1.00 0.00 ATOM 347 OD1 ASP 69 13.823 5.283 -0.251 1.00 0.00 ATOM 348 OD2 ASP 69 12.734 7.001 0.578 1.00 0.00 ATOM 349 O ASP 69 12.400 2.243 3.098 1.00 0.00 ATOM 350 C ASP 69 11.746 2.495 2.088 1.00 0.00 ATOM 351 N SER 70 10.513 2.036 1.894 1.00 0.00 ATOM 352 CA SER 70 9.864 1.193 2.883 1.00 0.00 ATOM 353 CB SER 70 8.404 1.613 3.072 1.00 0.00 ATOM 354 OG SER 70 7.678 1.487 1.862 1.00 0.00 ATOM 355 O SER 70 9.116 -1.084 3.059 1.00 0.00 ATOM 356 C SER 70 9.862 -0.282 2.492 1.00 0.00 ATOM 357 N GLY 71 10.710 -0.624 1.520 1.00 0.00 ATOM 358 CA GLY 71 10.852 -1.997 1.059 1.00 0.00 ATOM 359 O GLY 71 9.591 -3.904 0.384 1.00 0.00 ATOM 360 C GLY 71 9.637 -2.673 0.447 1.00 0.00 ATOM 361 N LEU 72 8.667 -1.886 -0.017 1.00 0.00 ATOM 362 CA LEU 72 7.444 -2.430 -0.615 1.00 0.00 ATOM 363 CB LEU 72 6.298 -1.422 -0.500 1.00 0.00 ATOM 364 CG LEU 72 5.824 -1.094 0.917 1.00 0.00 ATOM 365 CD1 LEU 72 4.758 -0.010 0.890 1.00 0.00 ATOM 366 CD2 LEU 72 5.231 -2.325 1.584 1.00 0.00 ATOM 367 O LEU 72 6.951 -3.640 -2.640 1.00 0.00 ATOM 368 C LEU 72 7.622 -2.757 -2.095 1.00 0.00 ATOM 369 N VAL 73 8.519 -2.027 -2.747 1.00 0.00 ATOM 370 CA VAL 73 8.844 -2.269 -4.143 1.00 0.00 ATOM 371 CB VAL 73 8.104 -1.291 -5.073 1.00 0.00 ATOM 372 CG1 VAL 73 6.598 -1.469 -4.944 1.00 0.00 ATOM 373 CG2 VAL 73 8.449 0.146 -4.719 1.00 0.00 ATOM 374 O VAL 73 11.020 -1.649 -3.339 1.00 0.00 ATOM 375 C VAL 73 10.347 -2.077 -4.281 1.00 0.00 ATOM 376 N GLU 74 10.869 -2.419 -5.447 1.00 0.00 ATOM 377 CA GLU 74 12.283 -2.256 -5.723 1.00 0.00 ATOM 378 CB GLU 74 13.021 -3.583 -5.536 1.00 0.00 ATOM 379 CG GLU 74 12.610 -4.665 -6.522 1.00 0.00 ATOM 380 CD GLU 74 13.319 -5.982 -6.267 1.00 0.00 ATOM 381 OE1 GLU 74 14.102 -6.058 -5.297 1.00 0.00 ATOM 382 OE2 GLU 74 13.091 -6.937 -7.039 1.00 0.00 ATOM 383 O GLU 74 11.444 -2.126 -7.961 1.00 0.00 ATOM 384 C GLU 74 12.324 -1.787 -7.173 1.00 0.00 ATOM 385 N ARG 75 13.313 -0.978 -7.513 1.00 0.00 ATOM 386 CA ARG 75 13.435 -0.490 -8.878 1.00 0.00 ATOM 387 CB ARG 75 13.148 1.012 -8.936 1.00 0.00 ATOM 388 CG ARG 75 14.141 1.865 -8.164 1.00 0.00 ATOM 389 CD ARG 75 13.821 3.344 -8.299 1.00 0.00 ATOM 390 NE ARG 75 14.740 4.176 -7.526 1.00 0.00 ATOM 391 CZ ARG 75 15.931 4.574 -7.957 1.00 0.00 ATOM 392 NH1 ARG 75 16.701 5.328 -7.184 1.00 0.00 ATOM 393 NH2 ARG 75 16.353 4.215 -9.163 1.00 0.00 ATOM 394 O ARG 75 15.773 -0.834 -8.541 1.00 0.00 ATOM 395 C ARG 75 14.848 -0.757 -9.347 1.00 0.00 ATOM 396 N ARG 76 15.007 -0.911 -10.656 1.00 0.00 ATOM 397 CA ARG 76 16.313 -1.166 -11.238 1.00 0.00 ATOM 398 CB ARG 76 16.713 -2.628 -11.036 1.00 0.00 ATOM 399 CG ARG 76 15.818 -3.622 -11.760 1.00 0.00 ATOM 400 CD ARG 76 16.275 -5.052 -11.521 1.00 0.00 ATOM 401 NE ARG 76 15.440 -6.019 -12.231 1.00 0.00 ATOM 402 CZ ARG 76 15.676 -7.327 -12.267 1.00 0.00 ATOM 403 NH1 ARG 76 14.862 -8.129 -12.938 1.00 0.00 ATOM 404 NH2 ARG 76 16.726 -7.827 -11.630 1.00 0.00 ATOM 405 O ARG 76 15.222 -1.042 -13.365 1.00 0.00 ATOM 406 C ARG 76 16.259 -0.863 -12.723 1.00 0.00 ATOM 407 N SER 77 17.376 -0.384 -13.255 1.00 0.00 ATOM 408 CA SER 77 17.459 -0.046 -14.663 1.00 0.00 ATOM 409 CB SER 77 18.495 1.058 -14.888 1.00 0.00 ATOM 410 OG SER 77 18.126 2.249 -14.217 1.00 0.00 ATOM 411 O SER 77 18.789 -1.988 -15.090 1.00 0.00 ATOM 412 C SER 77 17.866 -1.268 -15.462 1.00 0.00 ATOM 413 N GLY 78 17.915 -1.039 -24.331 1.00 0.00 ATOM 414 CA GLY 78 16.564 -0.539 -24.496 1.00 0.00 ATOM 415 O GLY 78 15.632 -0.635 -22.324 1.00 0.00 ATOM 416 C GLY 78 16.353 -0.014 -23.093 1.00 0.00 ATOM 417 N GLN 79 17.031 1.089 -22.716 1.00 0.00 ATOM 418 CA GLN 79 16.937 1.738 -21.402 1.00 0.00 ATOM 419 CB GLN 79 17.449 3.178 -21.477 1.00 0.00 ATOM 420 CG GLN 79 17.595 3.858 -20.126 1.00 0.00 ATOM 421 CD GLN 79 18.100 5.282 -20.242 1.00 0.00 ATOM 422 OE1 GLN 79 17.339 6.200 -20.542 1.00 0.00 ATOM 423 NE2 GLN 79 19.394 5.470 -20.003 1.00 0.00 ATOM 424 O GLN 79 14.614 2.418 -21.465 1.00 0.00 ATOM 425 C GLN 79 15.500 1.802 -20.856 1.00 0.00 ATOM 426 N ILE 80 15.293 1.182 -19.698 1.00 0.00 ATOM 427 CA ILE 80 13.994 1.155 -19.050 1.00 0.00 ATOM 428 CB ILE 80 13.095 0.048 -19.634 1.00 0.00 ATOM 429 CG1 ILE 80 11.686 0.138 -19.043 1.00 0.00 ATOM 430 CG2 ILE 80 13.665 -1.325 -19.312 1.00 0.00 ATOM 431 CD1 ILE 80 10.895 1.334 -19.530 1.00 0.00 ATOM 432 O ILE 80 14.973 0.101 -17.122 1.00 0.00 ATOM 433 C ILE 80 14.140 0.898 -17.563 1.00 0.00 ATOM 434 N THR 81 13.339 1.617 -16.795 1.00 0.00 ATOM 435 CA THR 81 13.329 1.456 -15.360 1.00 0.00 ATOM 436 CB THR 81 13.148 2.806 -14.643 1.00 0.00 ATOM 437 CG2 THR 81 13.115 2.608 -13.135 1.00 0.00 ATOM 438 OG1 THR 81 14.241 3.676 -14.971 1.00 0.00 ATOM 439 O THR 81 11.034 0.777 -15.540 1.00 0.00 ATOM 440 C THR 81 12.153 0.534 -15.080 1.00 0.00 ATOM 441 N THR 82 12.413 -0.539 -14.345 1.00 0.00 ATOM 442 CA THR 82 11.367 -1.489 -14.007 1.00 0.00 ATOM 443 CB THR 82 11.820 -2.940 -14.257 1.00 0.00 ATOM 444 CG2 THR 82 10.712 -3.915 -13.893 1.00 0.00 ATOM 445 OG1 THR 82 12.148 -3.109 -15.642 1.00 0.00 ATOM 446 O THR 82 11.869 -1.119 -11.680 1.00 0.00 ATOM 447 C THR 82 11.001 -1.349 -12.530 1.00 0.00 ATOM 448 N TYR 83 9.707 -1.451 -12.240 1.00 0.00 ATOM 449 CA TYR 83 9.222 -1.375 -10.868 1.00 0.00 ATOM 450 CB TYR 83 8.069 -0.377 -10.762 1.00 0.00 ATOM 451 CG TYR 83 7.460 -0.287 -9.379 1.00 0.00 ATOM 452 CD1 TYR 83 8.103 0.409 -8.364 1.00 0.00 ATOM 453 CD2 TYR 83 6.247 -0.899 -9.097 1.00 0.00 ATOM 454 CE1 TYR 83 7.555 0.496 -7.099 1.00 0.00 ATOM 455 CE2 TYR 83 5.683 -0.822 -7.837 1.00 0.00 ATOM 456 CZ TYR 83 6.350 -0.117 -6.835 1.00 0.00 ATOM 457 OH TYR 83 5.801 -0.032 -5.576 1.00 0.00 ATOM 458 O TYR 83 7.949 -3.362 -11.229 1.00 0.00 ATOM 459 C TYR 83 8.754 -2.779 -10.516 1.00 0.00 ATOM 460 N ALA 84 9.268 -3.323 -9.423 1.00 0.00 ATOM 461 CA ALA 84 8.894 -4.667 -9.016 1.00 0.00 ATOM 462 CB ALA 84 10.085 -5.606 -9.136 1.00 0.00 ATOM 463 O ALA 84 9.037 -4.041 -6.715 1.00 0.00 ATOM 464 C ALA 84 8.421 -4.667 -7.575 1.00 0.00 ATOM 465 N LEU 85 7.319 -5.359 -7.314 1.00 0.00 ATOM 466 CA LEU 85 6.799 -5.451 -5.956 1.00 0.00 ATOM 467 CB LEU 85 5.315 -5.825 -5.976 1.00 0.00 ATOM 468 CG LEU 85 4.602 -5.836 -4.622 1.00 0.00 ATOM 469 CD1 LEU 85 4.546 -4.434 -4.033 1.00 0.00 ATOM 470 CD2 LEU 85 3.176 -6.345 -4.769 1.00 0.00 ATOM 471 O LEU 85 7.929 -7.571 -5.864 1.00 0.00 ATOM 472 C LEU 85 7.622 -6.536 -5.262 1.00 0.00 ATOM 473 N THR 86 8.021 -6.288 -4.018 1.00 0.00 ATOM 474 CA THR 86 8.819 -7.253 -3.277 1.00 0.00 ATOM 475 CB THR 86 9.692 -6.564 -2.211 1.00 0.00 ATOM 476 CG2 THR 86 10.581 -5.510 -2.851 1.00 0.00 ATOM 477 OG1 THR 86 8.853 -5.934 -1.236 1.00 0.00 ATOM 478 O THR 86 6.695 -8.029 -2.508 1.00 0.00 ATOM 479 C THR 86 7.904 -8.242 -2.579 1.00 0.00 ATOM 480 N GLU 87 8.482 -9.325 -2.072 1.00 0.00 ATOM 481 CA GLU 87 7.697 -10.327 -1.361 1.00 0.00 ATOM 482 CB GLU 87 8.590 -11.483 -0.905 1.00 0.00 ATOM 483 CG GLU 87 9.090 -12.365 -2.037 1.00 0.00 ATOM 484 CD GLU 87 10.068 -13.422 -1.563 1.00 0.00 ATOM 485 OE1 GLU 87 10.413 -13.416 -0.361 1.00 0.00 ATOM 486 OE2 GLU 87 10.491 -14.255 -2.392 1.00 0.00 ATOM 487 O GLU 87 5.899 -9.970 0.189 1.00 0.00 ATOM 488 C GLU 87 7.051 -9.681 -0.139 1.00 0.00 ATOM 489 N LYS 88 7.785 -8.789 0.520 1.00 0.00 ATOM 490 CA LYS 88 7.248 -8.086 1.680 1.00 0.00 ATOM 491 CB LYS 88 8.330 -7.221 2.330 1.00 0.00 ATOM 492 CG LYS 88 7.869 -6.487 3.579 1.00 0.00 ATOM 493 CD LYS 88 9.012 -5.717 4.220 1.00 0.00 ATOM 494 CE LYS 88 8.544 -4.955 5.449 1.00 0.00 ATOM 495 NZ LYS 88 9.642 -4.151 6.056 1.00 0.00 ATOM 496 O LYS 88 5.029 -7.157 1.816 1.00 0.00 ATOM 497 C LYS 88 6.093 -7.199 1.199 1.00 0.00 ATOM 498 N GLY 89 6.318 -6.492 0.094 1.00 0.00 ATOM 499 CA GLY 89 5.285 -5.630 -0.455 1.00 0.00 ATOM 500 O GLY 89 2.914 -5.943 -0.354 1.00 0.00 ATOM 501 C GLY 89 4.000 -6.398 -0.711 1.00 0.00 ATOM 502 N MET 90 4.115 -7.572 -1.325 1.00 0.00 ATOM 503 CA MET 90 2.934 -8.387 -1.600 1.00 0.00 ATOM 504 CB MET 90 3.334 -9.696 -2.285 1.00 0.00 ATOM 505 CG MET 90 3.844 -9.521 -3.706 1.00 0.00 ATOM 506 SD MET 90 4.428 -11.065 -4.429 1.00 0.00 ATOM 507 CE MET 90 2.888 -11.966 -4.596 1.00 0.00 ATOM 508 O MET 90 0.950 -8.640 -0.268 1.00 0.00 ATOM 509 C MET 90 2.175 -8.746 -0.319 1.00 0.00 ATOM 510 N ASN 91 2.894 -9.171 0.714 1.00 0.00 ATOM 511 CA ASN 91 2.243 -9.541 1.970 1.00 0.00 ATOM 512 CB ASN 91 3.248 -10.186 2.926 1.00 0.00 ATOM 513 CG ASN 91 3.638 -11.587 2.501 1.00 0.00 ATOM 514 ND2 ASN 91 4.783 -12.053 2.987 1.00 0.00 ATOM 515 OD1 ASN 91 2.920 -12.241 1.745 1.00 0.00 ATOM 516 O ASN 91 0.519 -8.472 3.247 1.00 0.00 ATOM 517 C ASN 91 1.625 -8.359 2.714 1.00 0.00 ATOM 518 N VAL 92 2.330 -7.236 2.754 1.00 0.00 ATOM 519 CA VAL 92 1.819 -6.043 3.427 1.00 0.00 ATOM 520 CB VAL 92 2.845 -4.895 3.398 1.00 0.00 ATOM 521 CG1 VAL 92 2.222 -3.611 3.922 1.00 0.00 ATOM 522 CG2 VAL 92 4.048 -5.234 4.263 1.00 0.00 ATOM 523 O VAL 92 -0.421 -5.202 3.400 1.00 0.00 ATOM 524 C VAL 92 0.550 -5.563 2.740 1.00 0.00 ATOM 525 N ARG 93 0.568 -5.555 1.410 1.00 0.00 ATOM 526 CA ARG 93 -0.589 -5.118 0.640 1.00 0.00 ATOM 527 CB ARG 93 -0.289 -5.175 -0.859 1.00 0.00 ATOM 528 CG ARG 93 -1.420 -4.672 -1.739 1.00 0.00 ATOM 529 CD ARG 93 -1.092 -4.842 -3.213 1.00 0.00 ATOM 530 NE ARG 93 -0.998 -6.250 -3.594 1.00 0.00 ATOM 531 CZ ARG 93 -2.045 -7.038 -3.806 1.00 0.00 ATOM 532 NH1 ARG 93 -1.863 -8.305 -4.149 1.00 0.00 ATOM 533 NH2 ARG 93 -3.273 -6.557 -3.676 1.00 0.00 ATOM 534 O ARG 93 -2.891 -5.539 1.141 1.00 0.00 ATOM 535 C ARG 93 -1.778 -6.023 0.935 1.00 0.00 ATOM 536 N ASN 94 -1.542 -7.334 0.949 1.00 0.00 ATOM 537 CA ASN 94 -2.611 -8.287 1.232 1.00 0.00 ATOM 538 CB ASN 94 -2.090 -9.722 1.132 1.00 0.00 ATOM 539 CG ASN 94 -1.838 -10.152 -0.301 1.00 0.00 ATOM 540 ND2 ASN 94 -1.024 -11.188 -0.471 1.00 0.00 ATOM 541 OD1 ASN 94 -2.370 -9.560 -1.239 1.00 0.00 ATOM 542 O ASN 94 -4.378 -8.115 2.834 1.00 0.00 ATOM 543 C ASN 94 -3.165 -8.078 2.634 1.00 0.00 ATOM 544 N SER 95 -2.278 -7.853 3.602 1.00 0.00 ATOM 545 CA SER 95 -2.709 -7.616 4.979 1.00 0.00 ATOM 546 CB SER 95 -1.500 -7.408 5.892 1.00 0.00 ATOM 547 OG SER 95 -0.734 -8.596 6.002 1.00 0.00 ATOM 548 O SER 95 -4.668 -6.371 5.611 1.00 0.00 ATOM 549 C SER 95 -3.586 -6.370 5.024 1.00 0.00 ATOM 550 N LEU 96 -3.102 -5.292 4.422 1.00 0.00 ATOM 551 CA LEU 96 -3.866 -4.056 4.413 1.00 0.00 ATOM 552 CB LEU 96 -3.082 -2.945 3.711 1.00 0.00 ATOM 553 CG LEU 96 -3.760 -1.577 3.641 1.00 0.00 ATOM 554 CD1 LEU 96 -4.016 -1.031 5.037 1.00 0.00 ATOM 555 CD2 LEU 96 -2.887 -0.581 2.893 1.00 0.00 ATOM 556 O LEU 96 -6.228 -3.737 4.137 1.00 0.00 ATOM 557 C LEU 96 -5.198 -4.224 3.679 1.00 0.00 ATOM 558 N MET 97 -5.180 -4.900 2.537 1.00 0.00 ATOM 559 CA MET 97 -6.413 -5.091 1.780 1.00 0.00 ATOM 560 CB MET 97 -6.120 -5.777 0.444 1.00 0.00 ATOM 561 CG MET 97 -5.335 -4.920 -0.535 1.00 0.00 ATOM 562 SD MET 97 -6.180 -3.381 -0.946 1.00 0.00 ATOM 563 CE MET 97 -7.585 -4.000 -1.867 1.00 0.00 ATOM 564 O MET 97 -8.622 -5.778 2.407 1.00 0.00 ATOM 565 C MET 97 -7.413 -5.957 2.537 1.00 0.00 ATOM 566 N PRO 98 -6.905 -6.895 3.328 1.00 0.00 ATOM 567 CA PRO 98 -7.764 -7.768 4.116 1.00 0.00 ATOM 568 CB PRO 98 -6.818 -8.855 4.629 1.00 0.00 ATOM 569 CG PRO 98 -5.683 -8.851 3.660 1.00 0.00 ATOM 570 CD PRO 98 -5.509 -7.420 3.231 1.00 0.00 ATOM 571 O PRO 98 -9.577 -7.211 5.575 1.00 0.00 ATOM 572 C PRO 98 -8.407 -6.998 5.261 1.00 0.00 ATOM 573 N LEU 99 -7.641 -6.105 5.887 1.00 0.00 ATOM 574 CA LEU 99 -8.160 -5.305 6.989 1.00 0.00 ATOM 575 CB LEU 99 -7.047 -4.458 7.607 1.00 0.00 ATOM 576 CG LEU 99 -5.963 -5.217 8.373 1.00 0.00 ATOM 577 CD1 LEU 99 -4.833 -4.281 8.776 1.00 0.00 ATOM 578 CD2 LEU 99 -6.534 -5.844 9.634 1.00 0.00 ATOM 579 O LEU 99 -10.290 -4.204 7.100 1.00 0.00 ATOM 580 C LEU 99 -9.254 -4.389 6.461 1.00 0.00 ATOM 581 N LEU 100 -9.007 -3.819 5.283 1.00 0.00 ATOM 582 CA LEU 100 -9.955 -2.920 4.638 1.00 0.00 ATOM 583 CB LEU 100 -9.364 -2.356 3.345 1.00 0.00 ATOM 584 CG LEU 100 -8.205 -1.369 3.503 1.00 0.00 ATOM 585 CD1 LEU 100 -7.598 -1.030 2.149 1.00 0.00 ATOM 586 CD2 LEU 100 -8.684 -0.076 4.145 1.00 0.00 ATOM 587 O LEU 100 -12.347 -3.136 4.477 1.00 0.00 ATOM 588 C LEU 100 -11.243 -3.659 4.297 1.00 0.00 ATOM 589 N GLN 101 -11.095 -4.878 3.792 1.00 0.00 ATOM 590 CA GLN 101 -12.243 -5.695 3.421 1.00 0.00 ATOM 591 CB GLN 101 -11.782 -7.019 2.809 1.00 0.00 ATOM 592 CG GLN 101 -11.161 -6.880 1.429 1.00 0.00 ATOM 593 CD GLN 101 -10.615 -8.194 0.902 1.00 0.00 ATOM 594 OE1 GLN 101 -10.617 -9.204 1.604 1.00 0.00 ATOM 595 NE2 GLN 101 -10.144 -8.182 -0.340 1.00 0.00 ATOM 596 O GLN 101 -14.328 -5.962 4.588 1.00 0.00 ATOM 597 C GLN 101 -13.103 -6.005 4.651 1.00 0.00 ATOM 598 N TYR 102 -12.455 -6.317 5.766 1.00 0.00 ATOM 599 CA TYR 102 -13.157 -6.635 7.003 1.00 0.00 ATOM 600 CB TYR 102 -12.164 -7.034 8.095 1.00 0.00 ATOM 601 CG TYR 102 -12.809 -7.353 9.424 1.00 0.00 ATOM 602 CD1 TYR 102 -13.433 -8.577 9.637 1.00 0.00 ATOM 603 CD2 TYR 102 -12.795 -6.431 10.464 1.00 0.00 ATOM 604 CE1 TYR 102 -14.026 -8.877 10.848 1.00 0.00 ATOM 605 CE2 TYR 102 -13.382 -6.715 11.681 1.00 0.00 ATOM 606 CZ TYR 102 -14.002 -7.950 11.867 1.00 0.00 ATOM 607 OH TYR 102 -14.592 -8.247 13.074 1.00 0.00 ATOM 608 O TYR 102 -15.093 -5.591 7.955 1.00 0.00 ATOM 609 C TYR 102 -13.959 -5.438 7.506 1.00 0.00 ATOM 610 N ILE 103 -13.372 -4.246 7.434 1.00 0.00 ATOM 611 CA ILE 103 -14.074 -3.045 7.882 1.00 0.00 ATOM 612 CB ILE 103 -13.167 -1.802 7.810 1.00 0.00 ATOM 613 CG1 ILE 103 -11.953 -1.974 8.725 1.00 0.00 ATOM 614 CG2 ILE 103 -13.929 -0.560 8.249 1.00 0.00 ATOM 615 CD1 ILE 103 -10.906 -0.895 8.559 1.00 0.00 ATOM 616 O ILE 103 -16.392 -2.557 7.484 1.00 0.00 ATOM 617 C ILE 103 -15.293 -2.806 6.993 1.00 0.00 TER END