PFRMAT TS TARGET T0581 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 T0581 model 3 Wed Jun 9 04:56:25 2010 MODEL 3 PARENT N/A ATOM 2 N VAL 12 -7.571 -4.671 2.831 1.00 0.00 ATOM 3 CA VAL 12 -8.379 -4.061 3.954 1.00 0.00 ATOM 4 CB VAL 12 -7.505 -3.177 4.863 1.00 0.00 ATOM 5 CG1 VAL 12 -6.412 -4.006 5.521 1.00 0.00 ATOM 6 CG2 VAL 12 -6.902 -2.030 4.067 1.00 0.00 ATOM 7 O VAL 12 -10.624 -3.150 4.135 1.00 0.00 ATOM 8 C VAL 12 -9.587 -3.217 3.464 1.00 0.00 ATOM 9 N LEU 13 -9.432 -2.566 2.309 1.00 0.00 ATOM 10 CA LEU 13 -10.440 -1.641 1.732 1.00 0.00 ATOM 11 CB LEU 13 -9.758 -0.573 0.874 1.00 0.00 ATOM 12 CG LEU 13 -10.592 0.016 -0.265 1.00 0.00 ATOM 13 CD1 LEU 13 -10.231 1.475 -0.498 1.00 0.00 ATOM 14 CD2 LEU 13 -10.397 -0.785 -1.544 1.00 0.00 ATOM 15 O LEU 13 -12.490 -1.791 0.510 1.00 0.00 ATOM 16 C LEU 13 -11.485 -2.392 0.891 1.00 0.00 ATOM 20 N ALA 16 -15.262 -1.701 1.459 1.00 0.00 ATOM 21 CA ALA 16 -15.472 -0.254 1.259 1.00 0.00 ATOM 22 CB ALA 16 -14.341 0.540 1.895 1.00 0.00 ATOM 23 O ALA 16 -16.532 0.774 -0.652 1.00 0.00 ATOM 24 C ALA 16 -15.585 0.097 -0.243 1.00 0.00 ATOM 25 N ALA 17 -14.610 -0.382 -1.048 1.00 0.00 ATOM 26 CA ALA 17 -14.587 -0.141 -2.504 1.00 0.00 ATOM 27 CB ALA 17 -13.228 -0.506 -3.080 1.00 0.00 ATOM 28 O ALA 17 -16.103 -0.554 -4.302 1.00 0.00 ATOM 29 C ALA 17 -15.690 -0.933 -3.223 1.00 0.00 ATOM 30 N HIS 18 -16.165 -2.038 -2.631 1.00 0.00 ATOM 31 CA HIS 18 -17.300 -2.808 -3.216 1.00 0.00 ATOM 32 CB HIS 18 -17.342 -4.223 -2.636 1.00 0.00 ATOM 33 CG HIS 18 -17.628 -4.266 -1.167 1.00 0.00 ATOM 34 CD2 HIS 18 -18.764 -4.649 -0.341 1.00 0.00 ATOM 35 ND1 HIS 18 -16.705 -3.887 -0.218 1.00 0.00 ATOM 36 CE1 HIS 18 -17.246 -4.035 1.005 1.00 0.00 ATOM 37 NE2 HIS 18 -18.482 -4.491 0.938 1.00 0.00 ATOM 38 O HIS 18 -19.648 -2.459 -3.616 1.00 0.00 ATOM 39 C HIS 18 -18.651 -2.112 -2.977 1.00 0.00 ATOM 43 N SER 21 -18.678 -1.126 -2.068 1.00 0.00 ATOM 44 CA SER 21 -19.863 -0.258 -1.878 1.00 0.00 ATOM 45 CB SER 21 -19.841 0.383 -0.489 1.00 0.00 ATOM 46 OG SER 21 -19.963 -0.598 0.527 1.00 0.00 ATOM 47 O SER 21 -21.001 1.377 -3.240 1.00 0.00 ATOM 48 C SER 21 -19.925 0.834 -2.968 1.00 0.00 ATOM 49 N LEU 22 -18.765 1.135 -3.595 1.00 0.00 ATOM 50 CA LEU 22 -18.655 2.176 -4.637 1.00 0.00 ATOM 51 CB LEU 22 -18.464 3.554 -4.001 1.00 0.00 ATOM 52 CG LEU 22 -19.596 4.046 -3.096 1.00 0.00 ATOM 53 CD1 LEU 22 -19.209 5.345 -2.408 1.00 0.00 ATOM 54 CD2 LEU 22 -20.879 4.231 -3.893 1.00 0.00 ATOM 55 O LEU 22 -16.429 2.510 -5.581 1.00 0.00 ATOM 56 C LEU 22 -17.470 1.839 -5.596 1.00 0.00 ATOM 57 N LYS 23 -17.596 0.741 -6.432 1.00 0.00 ATOM 58 CA LYS 23 -16.506 0.275 -7.333 1.00 0.00 ATOM 59 CB LYS 23 -16.704 -1.197 -7.696 1.00 0.00 ATOM 60 CG LYS 23 -17.881 -1.456 -8.623 1.00 0.00 ATOM 61 CD LYS 23 -18.053 -2.940 -8.897 1.00 0.00 ATOM 62 CE LYS 23 -19.236 -3.198 -9.816 1.00 0.00 ATOM 63 NZ LYS 23 -19.462 -4.654 -10.034 1.00 0.00 ATOM 64 O LYS 23 -15.449 0.874 -9.412 1.00 0.00 ATOM 65 C LYS 23 -16.387 1.094 -8.634 1.00 0.00 ATOM 66 N ASP 24 -17.334 2.032 -8.856 1.00 0.00 ATOM 67 CA ASP 24 -17.385 2.868 -10.075 1.00 0.00 ATOM 68 CB ASP 24 -18.685 3.674 -10.119 1.00 0.00 ATOM 69 CG ASP 24 -18.843 4.455 -11.409 1.00 0.00 ATOM 70 OD1 ASP 24 -18.810 3.830 -12.488 1.00 0.00 ATOM 71 OD2 ASP 24 -18.999 5.691 -11.338 1.00 0.00 ATOM 72 O ASP 24 -15.638 4.060 -11.242 1.00 0.00 ATOM 73 C ASP 24 -16.180 3.816 -10.159 1.00 0.00 ATOM 74 N PHE 25 -15.777 4.346 -9.000 1.00 0.00 ATOM 75 CA PHE 25 -14.580 5.184 -8.880 1.00 0.00 ATOM 76 CB PHE 25 -14.556 5.897 -7.526 1.00 0.00 ATOM 77 CG PHE 25 -15.548 7.019 -7.416 1.00 0.00 ATOM 78 CD1 PHE 25 -16.908 6.768 -7.454 1.00 0.00 ATOM 79 CD2 PHE 25 -15.120 8.327 -7.275 1.00 0.00 ATOM 80 CE1 PHE 25 -17.820 7.801 -7.353 1.00 0.00 ATOM 81 CE2 PHE 25 -16.031 9.360 -7.172 1.00 0.00 ATOM 82 CZ PHE 25 -17.376 9.102 -7.211 1.00 0.00 ATOM 83 O PHE 25 -13.287 3.160 -8.643 1.00 0.00 ATOM 84 C PHE 25 -13.319 4.321 -9.064 1.00 0.00 ATOM 85 N GLU 26 -12.299 4.901 -9.725 1.00 0.00 ATOM 86 CA GLU 26 -11.004 4.230 -10.000 1.00 0.00 ATOM 87 CB GLU 26 -10.203 5.012 -11.043 1.00 0.00 ATOM 88 CG GLU 26 -10.863 5.076 -12.411 1.00 0.00 ATOM 89 CD GLU 26 -10.909 3.727 -13.098 1.00 0.00 ATOM 90 OE1 GLU 26 -10.085 2.854 -12.753 1.00 0.00 ATOM 91 OE2 GLU 26 -11.770 3.540 -13.985 1.00 0.00 ATOM 92 O GLU 26 -10.666 4.369 -7.610 1.00 0.00 ATOM 93 C GLU 26 -10.176 4.068 -8.705 1.00 0.00 ATOM 94 N LEU 27 -8.915 3.602 -8.846 1.00 0.00 ATOM 95 CA LEU 27 -8.010 3.365 -7.706 1.00 0.00 ATOM 96 CB LEU 27 -6.690 2.758 -8.187 1.00 0.00 ATOM 97 CG LEU 27 -5.792 2.146 -7.111 1.00 0.00 ATOM 98 CD1 LEU 27 -4.982 3.224 -6.409 1.00 0.00 ATOM 99 CD2 LEU 27 -6.622 1.365 -6.101 1.00 0.00 ATOM 100 O LEU 27 -8.145 4.822 -5.797 1.00 0.00 ATOM 101 C LEU 27 -7.761 4.689 -6.951 1.00 0.00 ATOM 102 N SER 28 -7.216 5.694 -7.647 1.00 0.00 ATOM 103 CA SER 28 -6.948 7.027 -7.065 1.00 0.00 ATOM 104 CB SER 28 -5.995 7.821 -7.961 1.00 0.00 ATOM 105 OG SER 28 -6.615 8.164 -9.188 1.00 0.00 ATOM 106 O SER 28 -8.248 8.720 -5.991 1.00 0.00 ATOM 107 C SER 28 -8.241 7.841 -6.843 1.00 0.00 ATOM 108 N LYS 29 -9.316 7.553 -7.604 1.00 0.00 ATOM 109 CA LYS 29 -10.579 8.331 -7.522 1.00 0.00 ATOM 110 CB LYS 29 -11.455 8.064 -8.747 1.00 0.00 ATOM 111 CG LYS 29 -10.909 8.651 -10.040 1.00 0.00 ATOM 112 CD LYS 29 -11.819 8.338 -11.217 1.00 0.00 ATOM 113 CE LYS 29 -11.274 8.928 -12.507 1.00 0.00 ATOM 114 NZ LYS 29 -12.134 8.594 -13.677 1.00 0.00 ATOM 115 O LYS 29 -11.879 8.906 -5.558 1.00 0.00 ATOM 116 C LYS 29 -11.368 8.001 -6.233 1.00 0.00 ATOM 117 N MET 30 -11.456 6.707 -5.896 1.00 0.00 ATOM 118 CA MET 30 -12.108 6.250 -4.649 1.00 0.00 ATOM 119 CB MET 30 -12.329 4.737 -4.682 1.00 0.00 ATOM 120 CG MET 30 -13.121 4.199 -3.502 1.00 0.00 ATOM 121 SD MET 30 -14.831 4.769 -3.495 1.00 0.00 ATOM 122 CE MET 30 -15.356 4.245 -1.864 1.00 0.00 ATOM 123 O MET 30 -11.776 7.074 -2.393 1.00 0.00 ATOM 124 C MET 30 -11.253 6.651 -3.434 1.00 0.00 ATOM 125 N LEU 31 -9.934 6.502 -3.606 1.00 0.00 ATOM 126 CA LEU 31 -8.932 6.833 -2.587 1.00 0.00 ATOM 127 CB LEU 31 -7.533 6.433 -3.062 1.00 0.00 ATOM 128 CG LEU 31 -7.049 5.042 -2.647 1.00 0.00 ATOM 129 CD1 LEU 31 -8.089 3.986 -2.987 1.00 0.00 ATOM 130 CD2 LEU 31 -5.723 4.714 -3.318 1.00 0.00 ATOM 131 O LEU 31 -8.892 8.668 -1.057 1.00 0.00 ATOM 132 C LEU 31 -8.955 8.328 -2.234 1.00 0.00 ATOM 133 N GLU 32 -9.059 9.210 -3.254 1.00 0.00 ATOM 134 CA GLU 32 -9.092 10.668 -3.053 1.00 0.00 ATOM 135 CB GLU 32 -8.929 11.397 -4.389 1.00 0.00 ATOM 136 CG GLU 32 -10.113 11.243 -5.329 1.00 0.00 ATOM 137 CD GLU 32 -9.898 11.936 -6.659 1.00 0.00 ATOM 138 OE1 GLU 32 -8.803 12.506 -6.861 1.00 0.00 ATOM 139 OE2 GLU 32 -10.820 11.910 -7.500 1.00 0.00 ATOM 140 O GLU 32 -10.415 12.053 -1.631 1.00 0.00 ATOM 141 C GLU 32 -10.398 11.080 -2.373 1.00 0.00 ATOM 142 N LYS 33 -11.494 10.338 -2.646 1.00 0.00 ATOM 143 CA LYS 33 -12.770 10.580 -1.970 1.00 0.00 ATOM 144 CB LYS 33 -13.853 9.653 -2.525 1.00 0.00 ATOM 145 CG LYS 33 -14.411 10.087 -3.871 1.00 0.00 ATOM 146 CD LYS 33 -14.991 11.490 -3.803 1.00 0.00 ATOM 147 CE LYS 33 -16.044 11.600 -2.712 1.00 0.00 ATOM 148 NZ LYS 33 -16.503 13.003 -2.522 1.00 0.00 ATOM 149 O LYS 33 -12.730 11.345 0.296 1.00 0.00 ATOM 150 C LYS 33 -12.610 10.380 -0.457 1.00 0.00 ATOM 151 N VAL 34 -12.203 9.160 -0.044 1.00 0.00 ATOM 152 CA VAL 34 -12.131 8.788 1.384 1.00 0.00 ATOM 153 CB VAL 34 -11.861 7.283 1.562 1.00 0.00 ATOM 154 CG1 VAL 34 -12.981 6.464 0.935 1.00 0.00 ATOM 155 CG2 VAL 34 -10.519 6.905 0.954 1.00 0.00 ATOM 156 O VAL 34 -11.184 9.937 3.292 1.00 0.00 ATOM 157 C VAL 34 -11.035 9.610 2.110 1.00 0.00 ATOM 158 N ALA 35 -9.961 9.969 1.369 1.00 0.00 ATOM 159 CA ALA 35 -8.825 10.748 1.901 1.00 0.00 ATOM 160 CB ALA 35 -7.664 10.729 0.918 1.00 0.00 ATOM 161 O ALA 35 -8.937 12.714 3.281 1.00 0.00 ATOM 162 C ALA 35 -9.236 12.197 2.203 1.00 0.00 ATOM 163 N LYS 36 -9.917 12.848 1.239 1.00 0.00 ATOM 164 CA LYS 36 -10.422 14.228 1.421 1.00 0.00 ATOM 165 CB LYS 36 -10.961 14.780 0.101 1.00 0.00 ATOM 166 CG LYS 36 -9.903 14.954 -0.977 1.00 0.00 ATOM 167 CD LYS 36 -10.489 15.585 -2.229 1.00 0.00 ATOM 168 CE LYS 36 -10.882 17.034 -1.986 1.00 0.00 ATOM 169 NZ LYS 36 -9.715 17.868 -1.589 1.00 0.00 ATOM 170 O LYS 36 -11.662 15.335 3.165 1.00 0.00 ATOM 171 C LYS 36 -11.526 14.298 2.506 1.00 0.00 ATOM 172 N GLU 37 -12.296 13.193 2.699 1.00 0.00 ATOM 173 CA GLU 37 -13.273 13.099 3.817 1.00 0.00 ATOM 174 CB GLU 37 -14.230 11.926 3.595 1.00 0.00 ATOM 175 CG GLU 37 -14.932 11.946 2.247 1.00 0.00 ATOM 176 CD GLU 37 -15.498 13.311 1.905 1.00 0.00 ATOM 177 OE1 GLU 37 -16.583 13.650 2.420 1.00 0.00 ATOM 178 OE2 GLU 37 -14.855 14.040 1.120 1.00 0.00 ATOM 179 O GLU 37 -13.034 13.333 6.212 1.00 0.00 ATOM 180 C GLU 37 -12.524 12.944 5.165 1.00 0.00 ATOM 181 N SER 38 -11.306 12.367 5.118 1.00 0.00 ATOM 182 CA SER 38 -10.398 12.279 6.293 1.00 0.00 ATOM 183 CB SER 38 -9.380 11.153 6.099 1.00 0.00 ATOM 184 OG SER 38 -10.027 9.900 5.959 1.00 0.00 ATOM 185 O SER 38 -8.971 13.770 7.563 1.00 0.00 ATOM 186 C SER 38 -9.657 13.620 6.545 1.00 0.00 ATOM 187 N SER 39 -9.801 14.576 5.604 1.00 0.00 ATOM 188 CA SER 39 -9.181 15.900 5.711 1.00 0.00 ATOM 189 CB SER 39 -9.305 16.436 7.138 1.00 0.00 ATOM 190 OG SER 39 -9.119 17.841 7.173 1.00 0.00 ATOM 191 O SER 39 -6.871 16.530 5.962 1.00 0.00 ATOM 192 C SER 39 -7.707 15.898 5.302 1.00 0.00 ATOM 193 N VAL 40 -4.317 16.797 3.702 1.00 0.00 ATOM 194 CA VAL 40 -3.697 18.113 3.432 1.00 0.00 ATOM 195 CB VAL 40 -2.676 18.489 4.519 1.00 0.00 ATOM 196 CG1 VAL 40 -1.901 19.734 4.116 1.00 0.00 ATOM 197 CG2 VAL 40 -3.374 18.703 5.855 1.00 0.00 ATOM 198 O VAL 40 -3.005 19.186 1.393 1.00 0.00 ATOM 199 C VAL 40 -3.015 18.144 2.058 1.00 0.00 ATOM 200 N GLY 41 -2.430 17.004 1.653 1.00 0.00 ATOM 201 CA GLY 41 -1.756 16.888 0.354 1.00 0.00 ATOM 202 O GLY 41 -3.954 16.589 -0.581 1.00 0.00 ATOM 203 C GLY 41 -2.728 16.603 -0.786 1.00 0.00 ATOM 204 N THR 42 -2.185 16.367 -1.989 1.00 0.00 ATOM 205 CA THR 42 -2.986 15.979 -3.167 1.00 0.00 ATOM 206 CB THR 42 -2.484 16.675 -4.446 1.00 0.00 ATOM 207 CG2 THR 42 -2.490 18.186 -4.267 1.00 0.00 ATOM 208 OG1 THR 42 -1.144 16.253 -4.729 1.00 0.00 ATOM 209 O THR 42 -2.012 13.797 -2.838 1.00 0.00 ATOM 210 C THR 42 -2.938 14.449 -3.340 1.00 0.00 ATOM 211 N PRO 43 -3.932 13.881 -4.056 1.00 0.00 ATOM 212 CA PRO 43 -4.037 12.413 -4.250 1.00 0.00 ATOM 213 CB PRO 43 -5.396 12.227 -4.926 1.00 0.00 ATOM 214 CG PRO 43 -5.659 13.531 -5.603 1.00 0.00 ATOM 215 CD PRO 43 -5.064 14.587 -4.717 1.00 0.00 ATOM 216 O PRO 43 -2.608 10.659 -5.077 1.00 0.00 ATOM 217 C PRO 43 -2.902 11.854 -5.133 1.00 0.00 ATOM 218 N ARG 44 -2.262 12.724 -5.929 1.00 0.00 ATOM 219 CA ARG 44 -1.077 12.357 -6.734 1.00 0.00 ATOM 220 CB ARG 44 -0.784 13.434 -7.779 1.00 0.00 ATOM 221 CG ARG 44 -1.826 13.527 -8.883 1.00 0.00 ATOM 222 CD ARG 44 -1.483 14.625 -9.875 1.00 0.00 ATOM 223 NE ARG 44 -2.465 14.717 -10.954 1.00 0.00 ATOM 224 CZ ARG 44 -2.445 15.643 -11.906 1.00 0.00 ATOM 225 NH1 ARG 44 -3.380 15.649 -12.845 1.00 0.00 ATOM 226 NH2 ARG 44 -1.490 16.563 -11.916 1.00 0.00 ATOM 227 O ARG 44 1.183 11.619 -6.308 1.00 0.00 ATOM 228 C ARG 44 0.170 12.137 -5.843 1.00 0.00 ATOM 229 N ALA 45 0.078 12.549 -4.562 1.00 0.00 ATOM 230 CA ALA 45 1.133 12.341 -3.545 1.00 0.00 ATOM 231 CB ALA 45 1.602 13.676 -2.986 1.00 0.00 ATOM 232 O ALA 45 1.362 11.099 -1.470 1.00 0.00 ATOM 233 C ALA 45 0.615 11.428 -2.400 1.00 0.00 ATOM 234 N ILE 46 -0.672 11.019 -2.489 1.00 0.00 ATOM 235 CA ILE 46 -1.336 10.177 -1.468 1.00 0.00 ATOM 236 CB ILE 46 -2.822 9.947 -1.806 1.00 0.00 ATOM 237 CG1 ILE 46 -3.556 11.286 -1.916 1.00 0.00 ATOM 238 CG2 ILE 46 -3.466 9.031 -0.777 1.00 0.00 ATOM 239 CD1 ILE 46 -3.525 12.106 -0.646 1.00 0.00 ATOM 240 O ILE 46 -0.678 7.979 -2.220 1.00 0.00 ATOM 241 C ILE 46 -0.610 8.821 -1.323 1.00 0.00 ATOM 242 N ASN 47 0.117 8.649 -0.204 1.00 0.00 ATOM 243 CA ASN 47 0.879 7.422 0.080 1.00 0.00 ATOM 244 CB ASN 47 1.928 7.682 1.164 1.00 0.00 ATOM 245 CG ASN 47 2.870 6.511 1.354 1.00 0.00 ATOM 246 ND2 ASN 47 4.140 6.714 1.025 1.00 0.00 ATOM 247 OD1 ASN 47 2.458 5.436 1.793 1.00 0.00 ATOM 248 O ASN 47 -1.022 6.528 1.247 1.00 0.00 ATOM 249 C ASN 47 -0.073 6.289 0.492 1.00 0.00 ATOM 250 N GLU 48 0.188 5.068 -0.031 1.00 0.00 ATOM 251 CA GLU 48 -0.612 3.848 0.270 1.00 0.00 ATOM 252 CB GLU 48 -0.022 2.631 -0.446 1.00 0.00 ATOM 253 CG GLU 48 -0.189 2.658 -1.956 1.00 0.00 ATOM 254 CD GLU 48 0.447 1.460 -2.634 1.00 0.00 ATOM 255 OE1 GLU 48 1.327 0.825 -2.015 1.00 0.00 ATOM 256 OE2 GLU 48 0.067 1.157 -3.785 1.00 0.00 ATOM 257 O GLU 48 -1.689 3.085 2.290 1.00 0.00 ATOM 258 C GLU 48 -0.683 3.582 1.785 1.00 0.00 ATOM 259 N ASP 49 0.398 3.965 2.480 1.00 0.00 ATOM 260 CA ASP 49 0.539 3.879 3.942 1.00 0.00 ATOM 261 CB ASP 49 1.840 4.544 4.395 1.00 0.00 ATOM 262 CG ASP 49 2.032 4.488 5.898 1.00 0.00 ATOM 263 OD1 ASP 49 2.221 3.375 6.431 1.00 0.00 ATOM 264 OD2 ASP 49 1.992 5.558 6.542 1.00 0.00 ATOM 265 O ASP 49 -1.140 3.976 5.676 1.00 0.00 ATOM 266 C ASP 49 -0.654 4.525 4.682 1.00 0.00 ATOM 267 N ILE 50 -1.129 5.674 4.164 1.00 0.00 ATOM 268 CA ILE 50 -2.271 6.409 4.745 1.00 0.00 ATOM 269 CB ILE 50 -2.456 7.784 4.078 1.00 0.00 ATOM 270 CG1 ILE 50 -1.214 8.651 4.290 1.00 0.00 ATOM 271 CG2 ILE 50 -3.715 8.462 4.596 1.00 0.00 ATOM 272 CD1 ILE 50 -1.284 9.997 3.604 1.00 0.00 ATOM 273 O ILE 50 -4.271 5.384 5.632 1.00 0.00 ATOM 274 C ILE 50 -3.577 5.591 4.630 1.00 0.00 ATOM 275 N LEU 51 -3.872 5.102 3.411 1.00 0.00 ATOM 276 CA LEU 51 -5.137 4.389 3.109 1.00 0.00 ATOM 277 CB LEU 51 -5.240 4.095 1.612 1.00 0.00 ATOM 278 CG LEU 51 -5.261 5.310 0.682 1.00 0.00 ATOM 279 CD1 LEU 51 -6.218 6.370 1.202 1.00 0.00 ATOM 280 CD2 LEU 51 -3.863 5.889 0.526 1.00 0.00 ATOM 281 O LEU 51 -6.212 2.855 4.600 1.00 0.00 ATOM 282 C LEU 51 -5.228 3.096 3.911 1.00 0.00 ATOM 286 N ARG 84 -4.165 2.295 3.816 1.00 0.00 ATOM 287 CA ARG 84 -4.088 0.967 4.427 1.00 0.00 ATOM 288 CB ARG 84 -2.748 0.304 4.102 1.00 0.00 ATOM 289 CG ARG 84 -2.594 -1.096 4.673 1.00 0.00 ATOM 290 CD ARG 84 -1.203 -1.650 4.406 1.00 0.00 ATOM 291 NE ARG 84 -0.166 -0.871 5.079 1.00 0.00 ATOM 292 CZ ARG 84 0.114 -0.961 6.375 1.00 0.00 ATOM 293 NH1 ARG 84 1.075 -0.213 6.898 1.00 0.00 ATOM 294 NH2 ARG 84 -0.568 -1.799 7.144 1.00 0.00 ATOM 295 O ARG 84 -5.172 0.420 6.489 1.00 0.00 ATOM 296 C ARG 84 -4.284 1.072 5.944 1.00 0.00 ATOM 297 N SER 85 -3.508 1.960 6.581 1.00 0.00 ATOM 298 CA SER 85 -3.630 2.268 8.020 1.00 0.00 ATOM 299 CB SER 85 -2.655 3.380 8.414 1.00 0.00 ATOM 300 OG SER 85 -1.311 2.951 8.283 1.00 0.00 ATOM 301 O SER 85 -5.630 2.178 9.369 1.00 0.00 ATOM 302 C SER 85 -5.075 2.679 8.391 1.00 0.00 ATOM 303 N GLN 86 -5.678 3.555 7.561 1.00 0.00 ATOM 304 CA GLN 86 -7.044 4.096 7.780 1.00 0.00 ATOM 305 CB GLN 86 -7.381 5.146 6.718 1.00 0.00 ATOM 306 CG GLN 86 -8.752 5.781 6.886 1.00 0.00 ATOM 307 CD GLN 86 -9.051 6.813 5.817 1.00 0.00 ATOM 308 OE1 GLN 86 -8.207 7.648 5.493 1.00 0.00 ATOM 309 NE2 GLN 86 -10.257 6.757 5.263 1.00 0.00 ATOM 310 O GLN 86 -9.000 2.960 8.648 1.00 0.00 ATOM 311 C GLN 86 -8.128 2.994 7.770 1.00 0.00 ATOM 312 N LEU 87 -8.054 2.096 6.783 1.00 0.00 ATOM 313 CA LEU 87 -9.047 1.024 6.596 1.00 0.00 ATOM 314 CB LEU 87 -8.999 0.493 5.161 1.00 0.00 ATOM 315 CG LEU 87 -9.709 1.340 4.102 1.00 0.00 ATOM 316 CD1 LEU 87 -11.202 1.411 4.385 1.00 0.00 ATOM 317 CD2 LEU 87 -9.114 2.739 4.042 1.00 0.00 ATOM 318 O LEU 87 -9.731 -0.857 7.946 1.00 0.00 ATOM 319 C LEU 87 -8.801 -0.125 7.603 1.00 0.00 TER END