PFRMAT TS TARGET T0492 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 T0492 model 5 Wed Jul 9 12:17:04 2008 MODEL 5 PARENT N/A ATOM 2 N GLN 11 -0.539 -3.229 -9.424 1.00 0.00 ATOM 3 CA GLN 11 -0.419 -4.623 -9.004 1.00 0.00 ATOM 4 CB GLN 11 1.050 -5.053 -8.985 1.00 0.00 ATOM 5 CG GLN 11 1.264 -6.518 -8.646 1.00 0.00 ATOM 6 CD GLN 11 2.721 -6.930 -8.729 1.00 0.00 ATOM 7 OE1 GLN 11 3.590 -6.111 -9.031 1.00 0.00 ATOM 8 NE2 GLN 11 2.991 -8.202 -8.461 1.00 0.00 ATOM 9 O GLN 11 -0.701 -4.038 -6.705 1.00 0.00 ATOM 10 C GLN 11 -0.988 -4.818 -7.612 1.00 0.00 ATOM 11 N THR 12 -1.734 -5.904 -7.435 1.00 0.00 ATOM 12 CA THR 12 -2.103 -6.364 -6.115 1.00 0.00 ATOM 13 CB THR 12 -3.305 -7.324 -6.168 1.00 0.00 ATOM 14 CG2 THR 12 -3.657 -7.815 -4.771 1.00 0.00 ATOM 15 OG1 THR 12 -4.440 -6.646 -6.720 1.00 0.00 ATOM 16 O THR 12 -0.268 -7.924 -6.078 1.00 0.00 ATOM 17 C THR 12 -0.939 -7.118 -5.430 1.00 0.00 ATOM 18 N VAL 13 -0.709 -6.823 -4.141 1.00 0.00 ATOM 19 CA VAL 13 0.300 -7.507 -3.272 1.00 0.00 ATOM 20 CB VAL 13 1.546 -6.627 -3.055 1.00 0.00 ATOM 21 CG1 VAL 13 2.238 -6.347 -4.380 1.00 0.00 ATOM 22 CG2 VAL 13 1.157 -5.299 -2.426 1.00 0.00 ATOM 23 O VAL 13 -1.346 -7.458 -1.487 1.00 0.00 ATOM 24 C VAL 13 -0.228 -7.858 -1.864 1.00 0.00 ATOM 25 N LYS 14 0.565 -8.593 -1.075 1.00 0.00 ATOM 26 CA LYS 14 0.175 -8.932 0.299 1.00 0.00 ATOM 27 CB LYS 14 0.341 -10.431 0.549 1.00 0.00 ATOM 28 CG LYS 14 -0.080 -10.879 1.939 1.00 0.00 ATOM 29 CD LYS 14 0.175 -12.363 2.143 1.00 0.00 ATOM 30 CE LYS 14 -0.203 -12.802 3.548 1.00 0.00 ATOM 31 NZ LYS 14 0.005 -14.262 3.749 1.00 0.00 ATOM 32 O LYS 14 2.255 -8.193 1.206 1.00 0.00 ATOM 33 C LYS 14 1.030 -8.186 1.320 1.00 0.00 ATOM 34 N VAL 15 0.371 -7.567 2.313 1.00 0.00 ATOM 35 CA VAL 15 1.068 -6.912 3.453 1.00 0.00 ATOM 36 CB VAL 15 0.089 -6.108 4.327 1.00 0.00 ATOM 37 CG1 VAL 15 0.818 -5.478 5.504 1.00 0.00 ATOM 38 CG2 VAL 15 -0.562 -4.997 3.516 1.00 0.00 ATOM 39 O VAL 15 1.101 -8.746 5.042 1.00 0.00 ATOM 40 C VAL 15 1.753 -7.925 4.362 1.00 0.00 ATOM 41 N VAL 16 3.088 -7.885 4.395 1.00 0.00 ATOM 42 CA VAL 16 3.824 -8.725 5.332 1.00 0.00 ATOM 43 CB VAL 16 5.040 -9.391 4.659 1.00 0.00 ATOM 44 CG1 VAL 16 5.886 -10.122 5.691 1.00 0.00 ATOM 45 CG2 VAL 16 4.585 -10.396 3.613 1.00 0.00 ATOM 46 O VAL 16 4.546 -8.559 7.613 1.00 0.00 ATOM 47 C VAL 16 4.382 -7.972 6.559 1.00 0.00 ATOM 48 N LYS 17 4.657 -6.678 6.405 1.00 0.00 ATOM 49 CA LYS 17 4.985 -5.850 7.563 1.00 0.00 ATOM 50 CB LYS 17 6.476 -5.950 7.888 1.00 0.00 ATOM 51 CG LYS 17 6.884 -5.233 9.165 1.00 0.00 ATOM 52 CD LYS 17 8.355 -5.451 9.476 1.00 0.00 ATOM 53 CE LYS 17 8.739 -4.812 10.800 1.00 0.00 ATOM 54 NZ LYS 17 10.186 -5.000 11.109 1.00 0.00 ATOM 55 O LYS 17 4.815 -3.856 6.224 1.00 0.00 ATOM 56 C LYS 17 4.662 -4.376 7.329 1.00 0.00 ATOM 57 N LEU 18 4.165 -3.732 8.382 1.00 0.00 ATOM 58 CA LEU 18 3.879 -2.329 8.310 1.00 0.00 ATOM 59 CB LEU 18 2.497 -2.032 8.895 1.00 0.00 ATOM 60 CG LEU 18 1.312 -2.734 8.228 1.00 0.00 ATOM 61 CD1 LEU 18 0.017 -2.418 8.959 1.00 0.00 ATOM 62 CD2 LEU 18 1.165 -2.285 6.783 1.00 0.00 ATOM 63 O LEU 18 5.269 -0.466 8.691 1.00 0.00 ATOM 64 C LEU 18 4.917 -1.554 9.094 1.00 0.00 ATOM 65 N HIS 19 5.448 -2.165 10.148 1.00 0.00 ATOM 66 CA HIS 19 6.558 -1.616 10.894 1.00 0.00 ATOM 67 CB HIS 19 7.814 -1.555 10.023 1.00 0.00 ATOM 68 CG HIS 19 9.067 -1.265 10.787 1.00 0.00 ATOM 69 CD2 HIS 19 9.473 -1.338 12.183 1.00 0.00 ATOM 70 ND1 HIS 19 10.220 -0.809 10.183 1.00 0.00 ATOM 71 CE1 HIS 19 11.169 -0.641 11.121 1.00 0.00 ATOM 72 NE2 HIS 19 10.727 -0.957 12.324 1.00 0.00 ATOM 73 O HIS 19 7.084 0.720 11.311 1.00 0.00 ATOM 74 C HIS 19 6.244 -0.196 11.382 1.00 0.00 ATOM 75 N GLY 20 8.097 8.031 12.256 1.00 0.00 ATOM 76 CA GLY 20 8.089 9.324 12.960 1.00 0.00 ATOM 77 O GLY 20 6.099 10.420 13.729 1.00 0.00 ATOM 78 C GLY 20 6.711 9.955 12.760 1.00 0.00 ATOM 79 N THR 21 6.287 10.043 11.516 1.00 0.00 ATOM 80 CA THR 21 4.948 10.504 11.202 1.00 0.00 ATOM 81 CB THR 21 4.836 10.951 9.732 1.00 0.00 ATOM 82 CG2 THR 21 3.421 11.418 9.424 1.00 0.00 ATOM 83 OG1 THR 21 5.745 12.031 9.488 1.00 0.00 ATOM 84 O THR 21 4.201 8.233 11.006 1.00 0.00 ATOM 85 C THR 21 3.971 9.365 11.445 1.00 0.00 ATOM 86 N GLY 22 2.861 9.697 12.120 1.00 0.00 ATOM 87 CA GLY 22 1.841 8.668 12.488 1.00 0.00 ATOM 88 O GLY 22 -0.483 8.061 12.390 1.00 0.00 ATOM 89 C GLY 22 0.385 8.899 12.069 1.00 0.00 ATOM 90 N ALA 23 0.115 10.013 11.398 1.00 0.00 ATOM 91 CA ALA 23 -1.248 10.341 10.983 1.00 0.00 ATOM 92 CB ALA 23 -1.295 11.732 10.369 1.00 0.00 ATOM 93 O ALA 23 -3.009 9.246 9.751 1.00 0.00 ATOM 94 C ALA 23 -1.802 9.358 9.938 1.00 0.00 ATOM 95 N LEU 24 -0.902 8.606 9.272 1.00 0.00 ATOM 96 CA LEU 24 -1.356 7.657 8.260 1.00 0.00 ATOM 97 CB LEU 24 -0.297 7.489 7.169 1.00 0.00 ATOM 98 CG LEU 24 0.045 8.741 6.359 1.00 0.00 ATOM 99 CD1 LEU 24 1.176 8.458 5.383 1.00 0.00 ATOM 100 CD2 LEU 24 -1.162 9.213 5.563 1.00 0.00 ATOM 101 O LEU 24 -2.168 5.418 8.185 1.00 0.00 ATOM 102 C LEU 24 -1.630 6.267 8.872 1.00 0.00 ATOM 103 N LYS 25 -1.340 6.081 10.159 1.00 0.00 ATOM 104 CA LYS 25 -1.614 4.828 10.852 1.00 0.00 ATOM 105 CB LYS 25 -1.148 4.906 12.306 1.00 0.00 ATOM 106 CG LYS 25 -1.358 3.624 13.096 1.00 0.00 ATOM 107 CD LYS 25 -0.809 3.749 14.508 1.00 0.00 ATOM 108 CE LYS 25 -1.062 2.485 15.312 1.00 0.00 ATOM 109 NZ LYS 25 -0.552 2.601 16.706 1.00 0.00 ATOM 110 O LYS 25 -3.585 3.539 10.397 1.00 0.00 ATOM 111 C LYS 25 -3.120 4.601 10.794 1.00 0.00 ATOM 112 N ARG 26 -3.863 5.638 11.175 1.00 0.00 ATOM 113 CA ARG 26 -5.352 5.545 11.192 1.00 0.00 ATOM 114 CB ARG 26 -5.959 6.783 11.853 1.00 0.00 ATOM 115 CG ARG 26 -5.735 6.860 13.353 1.00 0.00 ATOM 116 CD ARG 26 -6.290 8.152 13.930 1.00 0.00 ATOM 117 NE ARG 26 -6.075 8.245 15.372 1.00 0.00 ATOM 118 CZ ARG 26 -6.345 9.324 16.100 1.00 0.00 ATOM 119 NH1 ARG 26 -6.116 9.318 17.406 1.00 0.00 ATOM 120 NH2 ARG 26 -6.843 10.408 15.519 1.00 0.00 ATOM 121 O ARG 26 -6.959 4.703 9.601 1.00 0.00 ATOM 122 C ARG 26 -5.964 5.438 9.808 1.00 0.00 ATOM 123 N ARG 27 -5.335 6.094 8.832 1.00 0.00 ATOM 124 CA ARG 27 -5.719 5.970 7.430 1.00 0.00 ATOM 125 CB ARG 27 -4.787 6.799 6.545 1.00 0.00 ATOM 126 CG ARG 27 -4.869 8.298 6.788 1.00 0.00 ATOM 127 CD ARG 27 -6.216 8.854 6.354 1.00 0.00 ATOM 128 NE ARG 27 -6.271 10.309 6.473 1.00 0.00 ATOM 129 CZ ARG 27 -7.367 11.034 6.278 1.00 0.00 ATOM 130 NH1 ARG 27 -7.324 12.352 6.410 1.00 0.00 ATOM 131 NH2 ARG 27 -8.506 10.438 5.949 1.00 0.00 ATOM 132 O ARG 27 -6.557 3.952 6.324 1.00 0.00 ATOM 133 C ARG 27 -5.637 4.495 6.984 1.00 0.00 ATOM 134 N ILE 28 -4.551 3.848 7.369 1.00 0.00 ATOM 135 CA ILE 28 -4.395 2.425 7.068 1.00 0.00 ATOM 136 CB ILE 28 -3.048 1.884 7.582 1.00 0.00 ATOM 137 CG1 ILE 28 -1.890 2.502 6.796 1.00 0.00 ATOM 138 CG2 ILE 28 -2.985 0.373 7.425 1.00 0.00 ATOM 139 CD1 ILE 28 -0.529 2.239 7.405 1.00 0.00 ATOM 140 O ILE 28 -6.087 0.734 7.078 1.00 0.00 ATOM 141 C ILE 28 -5.508 1.592 7.723 1.00 0.00 ATOM 142 N MET 29 -5.778 1.862 8.991 1.00 0.00 ATOM 143 CA MET 29 -6.785 1.115 9.770 1.00 0.00 ATOM 144 CB MET 29 -6.803 1.594 11.223 1.00 0.00 ATOM 145 CG MET 29 -5.561 1.219 12.015 1.00 0.00 ATOM 146 SD MET 29 -5.324 -0.564 12.137 1.00 0.00 ATOM 147 CE MET 29 -6.696 -1.016 13.199 1.00 0.00 ATOM 148 O MET 29 -8.925 0.398 8.982 1.00 0.00 ATOM 149 C MET 29 -8.142 1.340 9.157 1.00 0.00 ATOM 150 N ASP 30 -8.398 2.585 8.764 1.00 0.00 ATOM 151 CA ASP 30 -9.702 2.931 8.142 1.00 0.00 ATOM 152 CB ASP 30 -9.819 4.446 7.950 1.00 0.00 ATOM 153 CG ASP 30 -10.044 5.182 9.255 1.00 0.00 ATOM 154 OD1 ASP 30 -10.352 4.518 10.268 1.00 0.00 ATOM 155 OD2 ASP 30 -9.912 6.425 9.266 1.00 0.00 ATOM 156 O ASP 30 -11.088 2.106 6.364 1.00 0.00 ATOM 157 C ASP 30 -9.925 2.299 6.770 1.00 0.00 ATOM 158 N MET 31 -8.828 2.025 6.022 1.00 0.00 ATOM 159 CA MET 31 -8.929 1.410 4.678 1.00 0.00 ATOM 160 CB MET 31 -7.848 1.967 3.751 1.00 0.00 ATOM 161 CG MET 31 -7.910 1.429 2.331 1.00 0.00 ATOM 162 SD MET 31 -6.636 2.129 1.265 1.00 0.00 ATOM 163 CE MET 31 -5.175 1.314 1.904 1.00 0.00 ATOM 164 O MET 31 -8.637 -0.853 3.813 1.00 0.00 ATOM 165 C MET 31 -8.748 -0.110 4.800 1.00 0.00 ATOM 169 N ARG 35 -2.611 -6.866 7.247 1.00 0.00 ATOM 170 CA ARG 35 -2.103 -8.247 6.957 1.00 0.00 ATOM 171 CB ARG 35 -2.341 -9.168 8.157 1.00 0.00 ATOM 172 CG ARG 35 -1.517 -8.812 9.384 1.00 0.00 ATOM 173 CD ARG 35 -1.822 -9.748 10.542 1.00 0.00 ATOM 174 NE ARG 35 -1.057 -9.406 11.738 1.00 0.00 ATOM 175 CZ ARG 35 -1.185 -10.021 12.909 1.00 0.00 ATOM 176 NH1 ARG 35 -0.447 -9.641 13.943 1.00 0.00 ATOM 177 NH2 ARG 35 -2.052 -11.014 13.045 1.00 0.00 ATOM 178 O ARG 35 -3.209 -9.972 5.590 1.00 0.00 ATOM 179 C ARG 35 -2.888 -8.768 5.713 1.00 0.00 ATOM 180 N GLY 36 -3.176 -7.854 4.793 1.00 0.00 ATOM 181 CA GLY 36 -4.060 -8.097 3.674 1.00 0.00 ATOM 182 O GLY 36 -2.365 -7.387 2.118 1.00 0.00 ATOM 183 C GLY 36 -3.518 -7.803 2.293 1.00 0.00 ATOM 184 N TYR 40 -4.387 -8.014 1.304 1.00 0.00 ATOM 185 CA TYR 40 -4.009 -7.967 -0.101 1.00 0.00 ATOM 186 CB TYR 40 -4.637 -9.135 -0.863 1.00 0.00 ATOM 187 CG TYR 40 -4.086 -10.489 -0.473 1.00 0.00 ATOM 188 CD1 TYR 40 -4.686 -11.239 0.530 1.00 0.00 ATOM 189 CD2 TYR 40 -2.968 -11.011 -1.110 1.00 0.00 ATOM 190 CE1 TYR 40 -4.189 -12.476 0.893 1.00 0.00 ATOM 191 CE2 TYR 40 -2.457 -12.247 -0.760 1.00 0.00 ATOM 192 CZ TYR 40 -3.080 -12.979 0.250 1.00 0.00 ATOM 193 OH TYR 40 -2.583 -14.212 0.610 1.00 0.00 ATOM 194 O TYR 40 -5.670 -6.403 -0.872 1.00 0.00 ATOM 195 C TYR 40 -4.474 -6.674 -0.752 1.00 0.00 ATOM 196 N ILE 41 -3.499 -5.894 -1.198 1.00 0.00 ATOM 197 CA ILE 41 -3.680 -4.501 -1.540 1.00 0.00 ATOM 198 CB ILE 41 -2.996 -3.574 -0.518 1.00 0.00 ATOM 199 CG1 ILE 41 -1.491 -3.855 -0.467 1.00 0.00 ATOM 200 CG2 ILE 41 -3.574 -3.794 0.872 1.00 0.00 ATOM 201 CD1 ILE 41 -0.714 -2.865 0.371 1.00 0.00 ATOM 202 O ILE 41 -2.154 -4.917 -3.288 1.00 0.00 ATOM 203 C ILE 41 -3.090 -4.231 -2.887 1.00 0.00 ATOM 204 N ARG 42 -3.627 -3.219 -3.562 1.00 0.00 ATOM 205 CA ARG 42 -3.078 -2.740 -4.819 1.00 0.00 ATOM 206 CB ARG 42 -4.174 -2.101 -5.675 1.00 0.00 ATOM 207 CG ARG 42 -5.232 -3.079 -6.157 1.00 0.00 ATOM 208 CD ARG 42 -6.234 -2.401 -7.077 1.00 0.00 ATOM 209 NE ARG 42 -7.337 -3.287 -7.438 1.00 0.00 ATOM 210 CZ ARG 42 -8.359 -2.933 -8.207 1.00 0.00 ATOM 211 NH1 ARG 42 -9.316 -3.810 -8.483 1.00 0.00 ATOM 212 NH2 ARG 42 -8.423 -1.706 -8.701 1.00 0.00 ATOM 213 O ARG 42 -2.044 -0.921 -3.617 1.00 0.00 ATOM 214 C ARG 42 -1.989 -1.689 -4.578 1.00 0.00 ATOM 215 N LYS 43 -1.002 -1.672 -5.461 1.00 0.00 ATOM 216 CA LYS 43 0.142 -0.791 -5.311 1.00 0.00 ATOM 217 CB LYS 43 1.351 -1.568 -4.787 1.00 0.00 ATOM 218 CG LYS 43 2.568 -0.703 -4.505 1.00 0.00 ATOM 219 CD LYS 43 3.700 -1.523 -3.905 1.00 0.00 ATOM 220 CE LYS 43 4.916 -0.658 -3.617 1.00 0.00 ATOM 221 NZ LYS 43 6.036 -1.450 -3.039 1.00 0.00 ATOM 222 O LYS 43 0.577 -0.825 -7.680 1.00 0.00 ATOM 223 C LYS 43 0.537 -0.146 -6.647 1.00 0.00 ATOM 224 N VAL 44 0.814 1.162 -6.625 1.00 0.00 ATOM 225 CA VAL 44 1.202 1.906 -7.839 1.00 0.00 ATOM 226 CB VAL 44 -0.025 2.506 -8.549 1.00 0.00 ATOM 227 CG1 VAL 44 -0.703 3.538 -7.661 1.00 0.00 ATOM 228 CG2 VAL 44 0.388 3.185 -9.846 1.00 0.00 ATOM 229 O VAL 44 2.148 3.635 -6.413 1.00 0.00 ATOM 230 C VAL 44 2.166 3.088 -7.529 1.00 0.00 ATOM 231 N ALA 45 3.026 3.431 -8.496 1.00 0.00 ATOM 232 CA ALA 45 3.867 4.647 -8.438 1.00 0.00 ATOM 233 CB ALA 45 5.290 4.328 -8.870 1.00 0.00 ATOM 234 O ALA 45 2.998 5.439 -10.545 1.00 0.00 ATOM 235 C ALA 45 3.285 5.713 -9.378 1.00 0.00 ATOM 236 N PRO 46 3.122 6.923 -8.847 1.00 0.00 ATOM 237 CA PRO 46 2.572 8.068 -9.570 1.00 0.00 ATOM 238 CB PRO 46 1.301 8.420 -8.794 1.00 0.00 ATOM 239 CG PRO 46 1.626 8.088 -7.376 1.00 0.00 ATOM 240 CD PRO 46 2.527 6.886 -7.425 1.00 0.00 ATOM 241 O PRO 46 4.786 9.033 -9.469 1.00 0.00 ATOM 242 C PRO 46 3.569 9.241 -9.583 1.00 0.00 ATOM 246 N GLN 52 0.898 4.943 -3.855 1.00 0.00 ATOM 247 CA GLN 52 -0.418 4.864 -3.232 1.00 0.00 ATOM 248 CB GLN 52 -1.444 5.658 -4.044 1.00 0.00 ATOM 249 CG GLN 52 -1.252 7.164 -3.981 1.00 0.00 ATOM 250 CD GLN 52 -2.290 7.918 -4.790 1.00 0.00 ATOM 251 OE1 GLN 52 -2.291 7.863 -6.020 1.00 0.00 ATOM 252 NE2 GLN 52 -3.178 8.623 -4.101 1.00 0.00 ATOM 253 O GLN 52 -0.542 2.612 -4.039 1.00 0.00 ATOM 254 C GLN 52 -0.863 3.409 -3.163 1.00 0.00 ATOM 255 N ILE 53 -1.525 3.059 -2.063 1.00 0.00 ATOM 256 CA ILE 53 -2.087 1.728 -1.856 1.00 0.00 ATOM 257 CB ILE 53 -1.600 1.109 -0.532 1.00 0.00 ATOM 258 CG1 ILE 53 -0.079 0.944 -0.549 1.00 0.00 ATOM 259 CG2 ILE 53 -2.232 -0.258 -0.319 1.00 0.00 ATOM 260 CD1 ILE 53 0.508 0.568 0.794 1.00 0.00 ATOM 261 O ILE 53 -4.189 2.765 -1.261 1.00 0.00 ATOM 262 C ILE 53 -3.623 1.807 -1.813 1.00 0.00 ATOM 263 N ASN 54 -4.283 0.797 -2.381 1.00 0.00 ATOM 264 CA ASN 54 -5.754 0.707 -2.404 1.00 0.00 ATOM 265 CB ASN 54 -6.277 0.825 -3.836 1.00 0.00 ATOM 266 CG ASN 54 -5.956 2.167 -4.464 1.00 0.00 ATOM 267 ND2 ASN 54 -5.019 2.170 -5.406 1.00 0.00 ATOM 268 OD1 ASN 54 -6.546 3.188 -4.106 1.00 0.00 ATOM 269 O ASN 54 -5.571 -1.652 -1.945 1.00 0.00 ATOM 270 C ASN 54 -6.253 -0.631 -1.832 1.00 0.00 ATOM 271 N VAL 55 -7.441 -0.620 -1.227 1.00 0.00 ATOM 272 CA VAL 55 -8.062 -1.814 -0.639 1.00 0.00 ATOM 273 CB VAL 55 -7.493 -2.115 0.760 1.00 0.00 ATOM 274 CG1 VAL 55 -8.185 -3.326 1.367 1.00 0.00 ATOM 275 CG2 VAL 55 -6.002 -2.406 0.678 1.00 0.00 ATOM 276 O VAL 55 -10.036 -0.913 0.411 1.00 0.00 ATOM 277 C VAL 55 -9.581 -1.611 -0.502 1.00 0.00 ATOM 278 N ARG 56 -10.352 -2.237 -1.393 1.00 0.00 ATOM 279 CA ARG 56 -11.820 -2.022 -1.472 1.00 0.00 ATOM 280 CB ARG 56 -12.500 -2.487 -0.184 1.00 0.00 ATOM 281 CG ARG 56 -12.332 -3.970 0.106 1.00 0.00 ATOM 282 CD ARG 56 -13.213 -4.410 1.264 1.00 0.00 ATOM 283 NE ARG 56 -12.853 -5.740 1.751 1.00 0.00 ATOM 284 CZ ARG 56 -13.542 -6.412 2.667 1.00 0.00 ATOM 285 NH1 ARG 56 -13.140 -7.616 3.049 1.00 0.00 ATOM 286 NH2 ARG 56 -14.636 -5.879 3.198 1.00 0.00 ATOM 287 O ARG 56 -12.784 0.064 -0.800 1.00 0.00 ATOM 288 C ARG 56 -12.176 -0.546 -1.677 1.00 0.00 ATOM 289 N GLY 57 -11.769 0.026 -2.811 1.00 0.00 ATOM 290 CA GLY 57 -12.112 1.422 -3.175 1.00 0.00 ATOM 291 O GLY 57 -12.700 3.278 -1.775 1.00 0.00 ATOM 292 C GLY 57 -11.863 2.422 -2.052 1.00 0.00 ATOM 293 N TYR 58 -10.721 2.263 -1.378 1.00 0.00 ATOM 294 CA TYR 58 -10.227 3.176 -0.348 1.00 0.00 ATOM 295 CB TYR 58 -10.470 2.594 1.045 1.00 0.00 ATOM 296 CG TYR 58 -11.928 2.358 1.366 1.00 0.00 ATOM 297 CD1 TYR 58 -12.514 1.118 1.146 1.00 0.00 ATOM 298 CD2 TYR 58 -12.715 3.377 1.888 1.00 0.00 ATOM 299 CE1 TYR 58 -13.845 0.894 1.436 1.00 0.00 ATOM 300 CE2 TYR 58 -14.049 3.171 2.184 1.00 0.00 ATOM 301 CZ TYR 58 -14.612 1.916 1.953 1.00 0.00 ATOM 302 OH TYR 58 -15.938 1.696 2.244 1.00 0.00 ATOM 303 O TYR 58 -8.004 2.333 -0.606 1.00 0.00 ATOM 304 C TYR 58 -8.741 3.327 -0.628 1.00 0.00 ATOM 305 N GLU 59 -8.302 4.542 -0.938 1.00 0.00 ATOM 306 CA GLU 59 -6.898 4.769 -1.278 1.00 0.00 ATOM 307 CB GLU 59 -6.784 5.688 -2.496 1.00 0.00 ATOM 308 CG GLU 59 -5.358 5.910 -2.974 1.00 0.00 ATOM 309 CD GLU 59 -5.289 6.779 -4.214 1.00 0.00 ATOM 310 OE1 GLU 59 -5.918 6.416 -5.231 1.00 0.00 ATOM 311 OE2 GLU 59 -4.605 7.823 -4.169 1.00 0.00 ATOM 312 O GLU 59 -6.553 6.400 0.448 1.00 0.00 ATOM 313 C GLU 59 -6.108 5.420 -0.153 1.00 0.00 ATOM 314 N LEU 60 -4.927 4.863 0.127 1.00 0.00 ATOM 315 CA LEU 60 -3.974 5.539 1.000 1.00 0.00 ATOM 316 CB LEU 60 -3.570 4.627 2.161 1.00 0.00 ATOM 317 CG LEU 60 -2.543 5.194 3.142 1.00 0.00 ATOM 318 CD1 LEU 60 -3.090 6.431 3.838 1.00 0.00 ATOM 319 CD2 LEU 60 -2.191 4.166 4.207 1.00 0.00 ATOM 320 O LEU 60 -2.003 4.995 -0.296 1.00 0.00 ATOM 321 C LEU 60 -2.737 5.893 0.168 1.00 0.00 ATOM 322 N SER 61 -2.537 7.195 -0.047 1.00 0.00 ATOM 323 CA SER 61 -1.311 7.678 -0.667 1.00 0.00 ATOM 324 CB SER 61 -1.538 9.050 -1.307 1.00 0.00 ATOM 325 OG SER 61 -0.329 9.578 -1.823 1.00 0.00 ATOM 326 O SER 61 -0.213 8.694 1.250 1.00 0.00 ATOM 327 C SER 61 -0.208 7.805 0.378 1.00 0.00 ATOM 328 N LEU 62 0.753 6.902 0.281 1.00 0.00 ATOM 329 CA LEU 62 1.814 6.831 1.299 1.00 0.00 ATOM 330 CB LEU 62 2.618 5.539 1.144 1.00 0.00 ATOM 331 CG LEU 62 1.863 4.234 1.405 1.00 0.00 ATOM 332 CD1 LEU 62 2.746 3.032 1.106 1.00 0.00 ATOM 333 CD2 LEU 62 1.422 4.150 2.859 1.00 0.00 ATOM 334 O LEU 62 3.180 8.386 0.092 1.00 0.00 ATOM 335 C LEU 62 2.791 7.991 1.198 1.00 0.00 ATOM 336 N ARG 63 3.199 8.520 2.346 1.00 0.00 ATOM 337 CA ARG 63 4.327 9.447 2.391 1.00 0.00 ATOM 338 CB ARG 63 4.307 10.253 3.690 1.00 0.00 ATOM 339 CG ARG 63 3.140 11.220 3.803 1.00 0.00 ATOM 340 CD ARG 63 3.217 12.030 5.088 1.00 0.00 ATOM 341 NE ARG 63 2.127 12.998 5.190 1.00 0.00 ATOM 342 CZ ARG 63 1.966 13.838 6.208 1.00 0.00 ATOM 343 NH1 ARG 63 0.945 14.683 6.214 1.00 0.00 ATOM 344 NH2 ARG 63 2.826 13.828 7.216 1.00 0.00 ATOM 345 O ARG 63 5.491 7.361 2.609 1.00 0.00 ATOM 346 C ARG 63 5.579 8.549 2.307 1.00 0.00 ATOM 347 N LYS 64 6.704 9.071 1.822 1.00 0.00 ATOM 348 CA LYS 64 7.857 8.184 1.499 1.00 0.00 ATOM 349 CB LYS 64 9.036 9.006 0.976 1.00 0.00 ATOM 350 CG LYS 64 8.815 9.597 -0.408 1.00 0.00 ATOM 351 CD LYS 64 10.019 10.406 -0.861 1.00 0.00 ATOM 352 CE LYS 64 9.797 11.001 -2.243 1.00 0.00 ATOM 353 NZ LYS 64 10.956 11.822 -2.687 1.00 0.00 ATOM 354 O LYS 64 8.894 6.211 2.451 1.00 0.00 ATOM 355 C LYS 64 8.423 7.354 2.665 1.00 0.00 ATOM 356 N SER 65 8.397 7.917 3.878 1.00 0.00 ATOM 357 CA SER 65 8.945 7.242 5.063 1.00 0.00 ATOM 358 CB SER 65 8.784 8.123 6.303 1.00 0.00 ATOM 359 OG SER 65 9.572 9.296 6.201 1.00 0.00 ATOM 360 O SER 65 8.812 4.909 5.580 1.00 0.00 ATOM 361 C SER 65 8.191 5.929 5.275 1.00 0.00 ATOM 362 N ALA 66 6.871 5.972 5.128 1.00 0.00 ATOM 363 CA ALA 66 6.076 4.747 5.183 1.00 0.00 ATOM 364 CB ALA 66 4.591 5.079 5.225 1.00 0.00 ATOM 365 O ALA 66 6.262 2.632 4.122 1.00 0.00 ATOM 366 C ALA 66 6.305 3.860 3.995 1.00 0.00 ATOM 367 N ALA 67 6.469 4.457 2.808 1.00 0.00 ATOM 368 CA ALA 67 6.632 3.633 1.596 1.00 0.00 ATOM 369 CB ALA 67 6.731 4.517 0.363 1.00 0.00 ATOM 370 O ALA 67 7.995 1.710 1.100 1.00 0.00 ATOM 371 C ALA 67 7.909 2.780 1.684 1.00 0.00 ATOM 372 N GLU 68 8.897 3.226 2.438 1.00 0.00 ATOM 373 CA GLU 68 10.124 2.437 2.493 1.00 0.00 ATOM 374 CB GLU 68 11.332 3.343 2.738 1.00 0.00 ATOM 375 CG GLU 68 11.627 4.307 1.599 1.00 0.00 ATOM 376 CD GLU 68 12.816 5.201 1.886 1.00 0.00 ATOM 377 OE1 GLU 68 13.357 5.129 3.010 1.00 0.00 ATOM 378 OE2 GLU 68 13.207 5.975 0.988 1.00 0.00 ATOM 379 O GLU 68 10.983 0.486 3.571 1.00 0.00 ATOM 380 C GLU 68 10.147 1.376 3.604 1.00 0.00 ATOM 381 N MET 69 9.227 1.471 4.567 1.00 0.00 ATOM 382 CA MET 69 9.219 0.526 5.697 1.00 0.00 ATOM 383 CB MET 69 8.884 1.255 7.000 1.00 0.00 ATOM 384 CG MET 69 9.983 2.181 7.494 1.00 0.00 ATOM 385 SD MET 69 9.562 2.999 9.044 1.00 0.00 ATOM 386 CE MET 69 8.350 4.191 8.479 1.00 0.00 ATOM 387 O MET 69 8.389 -1.702 5.948 1.00 0.00 ATOM 388 C MET 69 8.185 -0.569 5.493 1.00 0.00 ATOM 389 N ILE 70 7.072 -0.233 4.856 1.00 0.00 ATOM 390 CA ILE 70 6.065 -1.251 4.517 1.00 0.00 ATOM 391 CB ILE 70 4.817 -0.617 3.875 1.00 0.00 ATOM 392 CG1 ILE 70 4.101 0.288 4.878 1.00 0.00 ATOM 393 CG2 ILE 70 3.846 -1.697 3.421 1.00 0.00 ATOM 394 CD1 ILE 70 2.988 1.114 4.271 1.00 0.00 ATOM 395 O ILE 70 7.339 -1.876 2.543 1.00 0.00 ATOM 396 C ILE 70 6.678 -2.257 3.518 1.00 0.00 ATOM 397 N GLU 71 6.471 -3.539 3.807 1.00 0.00 ATOM 398 CA GLU 71 7.042 -4.618 3.016 1.00 0.00 ATOM 399 CB GLU 71 7.994 -5.462 3.867 1.00 0.00 ATOM 400 CG GLU 71 9.223 -4.710 4.354 1.00 0.00 ATOM 401 CD GLU 71 10.165 -5.590 5.151 1.00 0.00 ATOM 402 OE1 GLU 71 9.836 -6.777 5.359 1.00 0.00 ATOM 403 OE2 GLU 71 11.232 -5.093 5.566 1.00 0.00 ATOM 404 O GLU 71 4.840 -5.562 3.190 1.00 0.00 ATOM 405 C GLU 71 5.870 -5.466 2.528 1.00 0.00 ATOM 406 N VAL 72 6.018 -6.010 1.332 1.00 0.00 ATOM 407 CA VAL 72 4.980 -6.822 0.748 1.00 0.00 ATOM 408 CB VAL 72 4.194 -6.046 -0.326 1.00 0.00 ATOM 409 CG1 VAL 72 3.503 -4.838 0.289 1.00 0.00 ATOM 410 CG2 VAL 72 5.130 -5.558 -1.421 1.00 0.00 ATOM 411 O VAL 72 6.807 -8.187 -0.054 1.00 0.00 ATOM 412 C VAL 72 5.586 -8.063 0.087 1.00 0.00 ATOM 413 N GLU 73 4.696 -8.954 -0.344 1.00 0.00 ATOM 414 CA GLU 73 5.097 -10.120 -1.106 1.00 0.00 ATOM 415 CB GLU 73 5.265 -11.330 -0.185 1.00 0.00 ATOM 416 CG GLU 73 6.378 -11.181 0.839 1.00 0.00 ATOM 417 CD GLU 73 6.569 -12.428 1.679 1.00 0.00 ATOM 418 OE1 GLU 73 5.590 -12.870 2.318 1.00 0.00 ATOM 419 OE2 GLU 73 7.696 -12.966 1.697 1.00 0.00 ATOM 420 O GLU 73 2.925 -9.970 -2.117 1.00 0.00 ATOM 421 C GLU 73 4.052 -10.466 -2.162 1.00 0.00 TER END