PFRMAT TS TARGET T0474 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 T0474 model 4 Thu Jun 26 12:12:17 2008 MODEL 4 PARENT N/A ATOM 2 N ASP 15 7.566 2.590 -2.784 1.00 0.00 ATOM 3 CA ASP 15 8.782 2.247 -3.519 1.00 0.00 ATOM 4 CB ASP 15 9.823 3.360 -3.384 1.00 0.00 ATOM 5 CG ASP 15 11.060 3.105 -4.223 1.00 0.00 ATOM 6 OD1 ASP 15 11.182 1.994 -4.778 1.00 0.00 ATOM 7 OD2 ASP 15 11.908 4.017 -4.324 1.00 0.00 ATOM 8 O ASP 15 9.839 0.914 -1.824 1.00 0.00 ATOM 9 C ASP 15 9.367 0.950 -2.960 1.00 0.00 ATOM 10 N LEU 16 9.315 -0.114 -3.755 1.00 0.00 ATOM 11 CA LEU 16 9.784 -1.431 -3.327 1.00 0.00 ATOM 12 CB LEU 16 8.637 -2.444 -3.353 1.00 0.00 ATOM 13 CG LEU 16 7.439 -2.135 -2.453 1.00 0.00 ATOM 14 CD1 LEU 16 6.324 -3.146 -2.674 1.00 0.00 ATOM 15 CD2 LEU 16 7.842 -2.183 -0.987 1.00 0.00 ATOM 16 O LEU 16 10.791 -1.882 -5.463 1.00 0.00 ATOM 17 C LEU 16 10.891 -1.960 -4.230 1.00 0.00 ATOM 18 N SER 17 11.936 -2.517 -3.630 1.00 0.00 ATOM 19 CA SER 17 12.968 -3.159 -4.433 1.00 0.00 ATOM 20 CB SER 17 14.222 -3.410 -3.594 1.00 0.00 ATOM 21 OG SER 17 13.981 -4.385 -2.596 1.00 0.00 ATOM 22 O SER 17 11.418 -4.996 -4.436 1.00 0.00 ATOM 23 C SER 17 12.423 -4.500 -4.950 1.00 0.00 ATOM 24 N ASN 18 13.060 -5.057 -5.978 1.00 0.00 ATOM 25 CA ASN 18 12.550 -6.258 -6.640 1.00 0.00 ATOM 26 CB ASN 18 13.454 -6.649 -7.811 1.00 0.00 ATOM 27 CG ASN 18 13.311 -5.715 -8.996 1.00 0.00 ATOM 28 ND2 ASN 18 14.308 -5.713 -9.871 1.00 0.00 ATOM 29 OD1 ASN 18 12.314 -5.002 -9.120 1.00 0.00 ATOM 30 O ASN 18 11.532 -8.238 -5.762 1.00 0.00 ATOM 31 C ASN 18 12.477 -7.454 -5.700 1.00 0.00 ATOM 32 N GLU 19 13.470 -7.595 -4.822 1.00 0.00 ATOM 33 CA GLU 19 13.447 -8.682 -3.838 1.00 0.00 ATOM 34 CB GLU 19 14.656 -8.586 -2.907 1.00 0.00 ATOM 35 CG GLU 19 14.739 -9.703 -1.880 1.00 0.00 ATOM 36 CD GLU 19 15.967 -9.596 -0.997 1.00 0.00 ATOM 37 OE1 GLU 19 16.761 -8.654 -1.198 1.00 0.00 ATOM 38 OE2 GLU 19 16.135 -10.454 -0.105 1.00 0.00 ATOM 39 O GLU 19 11.492 -9.628 -2.797 1.00 0.00 ATOM 40 C GLU 19 12.171 -8.615 -2.981 1.00 0.00 ATOM 41 N VAL 20 11.834 -7.426 -2.482 1.00 0.00 ATOM 42 CA VAL 20 10.610 -7.254 -1.678 1.00 0.00 ATOM 43 CB VAL 20 10.486 -5.818 -1.139 1.00 0.00 ATOM 44 CG1 VAL 20 9.128 -5.609 -0.486 1.00 0.00 ATOM 45 CG2 VAL 20 11.565 -5.542 -0.103 1.00 0.00 ATOM 46 O VAL 20 8.482 -8.262 -2.052 1.00 0.00 ATOM 47 C VAL 20 9.364 -7.545 -2.507 1.00 0.00 ATOM 48 N ILE 21 9.303 -6.983 -3.717 1.00 0.00 ATOM 49 CA ILE 21 8.165 -7.183 -4.605 1.00 0.00 ATOM 50 CB ILE 21 8.394 -6.518 -5.975 1.00 0.00 ATOM 51 CG1 ILE 21 8.414 -4.994 -5.832 1.00 0.00 ATOM 52 CG2 ILE 21 7.285 -6.897 -6.943 1.00 0.00 ATOM 53 CD1 ILE 21 8.894 -4.271 -7.071 1.00 0.00 ATOM 54 O ILE 21 6.764 -9.129 -4.810 1.00 0.00 ATOM 55 C ILE 21 7.908 -8.680 -4.854 1.00 0.00 ATOM 56 N LYS 22 8.973 -9.442 -5.108 1.00 0.00 ATOM 57 CA LYS 22 8.835 -10.877 -5.372 1.00 0.00 ATOM 58 CB LYS 22 10.151 -11.456 -5.894 1.00 0.00 ATOM 59 CG LYS 22 10.514 -11.005 -7.300 1.00 0.00 ATOM 60 CD LYS 22 11.827 -11.620 -7.756 1.00 0.00 ATOM 61 CE LYS 22 12.207 -11.141 -9.148 1.00 0.00 ATOM 62 NZ LYS 22 13.503 -11.718 -9.598 1.00 0.00 ATOM 63 O LYS 22 7.689 -12.623 -4.224 1.00 0.00 ATOM 64 C LYS 22 8.454 -11.666 -4.129 1.00 0.00 ATOM 65 N GLN 23 8.966 -11.248 -2.971 1.00 0.00 ATOM 66 CA GLN 23 8.582 -11.854 -1.682 1.00 0.00 ATOM 67 CB GLN 23 9.360 -11.209 -0.534 1.00 0.00 ATOM 68 CG GLN 23 10.838 -11.565 -0.510 1.00 0.00 ATOM 69 CD GLN 23 11.599 -10.819 0.569 1.00 0.00 ATOM 70 OE1 GLN 23 11.043 -9.959 1.254 1.00 0.00 ATOM 71 NE2 GLN 23 12.876 -11.147 0.725 1.00 0.00 ATOM 72 O GLN 23 6.414 -12.612 -0.933 1.00 0.00 ATOM 73 C GLN 23 7.085 -11.674 -1.394 1.00 0.00 ATOM 74 N LEU 24 6.578 -10.474 -1.672 1.00 0.00 ATOM 75 CA LEU 24 5.153 -10.162 -1.503 1.00 0.00 ATOM 76 CB LEU 24 4.885 -8.689 -1.818 1.00 0.00 ATOM 77 CG LEU 24 5.434 -7.671 -0.813 1.00 0.00 ATOM 78 CD1 LEU 24 5.268 -6.255 -1.341 1.00 0.00 ATOM 79 CD2 LEU 24 4.697 -7.775 0.512 1.00 0.00 ATOM 80 O LEU 24 3.412 -11.717 -2.061 1.00 0.00 ATOM 81 C LEU 24 4.361 -11.044 -2.461 1.00 0.00 ATOM 82 N ASP 25 4.773 -11.064 -3.721 1.00 0.00 ATOM 83 CA ASP 25 4.068 -11.854 -4.725 1.00 0.00 ATOM 84 CB ASP 25 4.773 -11.751 -6.078 1.00 0.00 ATOM 85 CG ASP 25 4.578 -10.399 -6.736 1.00 0.00 ATOM 86 OD1 ASP 25 3.714 -9.629 -6.267 1.00 0.00 ATOM 87 OD2 ASP 25 5.291 -10.108 -7.719 1.00 0.00 ATOM 88 O ASP 25 2.955 -13.975 -4.440 1.00 0.00 ATOM 89 C ASP 25 4.012 -13.336 -4.335 1.00 0.00 ATOM 90 N ASP 26 5.139 -13.873 -3.871 1.00 0.00 ATOM 91 CA ASP 26 5.217 -15.287 -3.479 1.00 0.00 ATOM 92 CB ASP 26 6.649 -15.654 -3.082 1.00 0.00 ATOM 93 CG ASP 26 7.582 -15.733 -4.274 1.00 0.00 ATOM 94 OD1 ASP 26 7.083 -15.742 -5.419 1.00 0.00 ATOM 95 OD2 ASP 26 8.812 -15.787 -4.064 1.00 0.00 ATOM 96 O ASP 26 3.569 -16.592 -2.329 1.00 0.00 ATOM 97 C ASP 26 4.319 -15.612 -2.293 1.00 0.00 ATOM 98 N LEU 27 4.405 -14.789 -1.252 1.00 0.00 ATOM 99 CA LEU 27 3.621 -14.982 -0.042 1.00 0.00 ATOM 100 CB LEU 27 4.051 -13.988 1.039 1.00 0.00 ATOM 101 CG LEU 27 5.445 -14.198 1.637 1.00 0.00 ATOM 102 CD1 LEU 27 5.812 -13.046 2.560 1.00 0.00 ATOM 103 CD2 LEU 27 5.495 -15.487 2.443 1.00 0.00 ATOM 104 O LEU 27 1.297 -15.517 0.243 1.00 0.00 ATOM 105 C LEU 27 2.125 -14.778 -0.296 1.00 0.00 ATOM 106 N GLU 28 1.776 -13.793 -1.125 1.00 0.00 ATOM 107 CA GLU 28 0.369 -13.540 -1.439 1.00 0.00 ATOM 108 CB GLU 28 0.235 -12.313 -2.341 1.00 0.00 ATOM 109 CG GLU 28 0.488 -10.991 -1.633 1.00 0.00 ATOM 110 CD GLU 28 -0.481 -10.745 -0.494 1.00 0.00 ATOM 111 OE1 GLU 28 -1.705 -10.826 -0.726 1.00 0.00 ATOM 112 OE2 GLU 28 -0.015 -10.474 0.633 1.00 0.00 ATOM 113 O GLU 28 -1.326 -15.195 -1.816 1.00 0.00 ATOM 114 C GLU 28 -0.229 -14.744 -2.160 1.00 0.00 ATOM 115 N VAL 29 0.488 -15.265 -3.152 1.00 0.00 ATOM 116 CA VAL 29 0.012 -16.439 -3.886 1.00 0.00 ATOM 117 CB VAL 29 1.026 -16.888 -4.955 1.00 0.00 ATOM 118 CG1 VAL 29 0.607 -18.215 -5.564 1.00 0.00 ATOM 119 CG2 VAL 29 1.117 -15.855 -6.068 1.00 0.00 ATOM 120 O VAL 29 -1.250 -18.316 -3.033 1.00 0.00 ATOM 121 C VAL 29 -0.221 -17.630 -2.942 1.00 0.00 ATOM 122 N GLN 30 0.710 -17.835 -2.008 1.00 0.00 ATOM 123 CA GLN 30 0.620 -18.942 -1.044 1.00 0.00 ATOM 124 CB GLN 30 1.819 -18.924 -0.094 1.00 0.00 ATOM 125 CG GLN 30 3.134 -19.315 -0.749 1.00 0.00 ATOM 126 CD GLN 30 4.311 -19.211 0.203 1.00 0.00 ATOM 127 OE1 GLN 30 4.157 -18.806 1.355 1.00 0.00 ATOM 128 NE2 GLN 30 5.492 -19.579 -0.278 1.00 0.00 ATOM 129 O GLN 30 -1.125 -19.917 0.250 1.00 0.00 ATOM 130 C GLN 30 -0.631 -18.882 -0.184 1.00 0.00 ATOM 131 N ARG 31 -1.133 -17.672 0.063 1.00 0.00 ATOM 132 CA ARG 31 -2.346 -17.485 0.874 1.00 0.00 ATOM 133 CB ARG 31 -2.151 -16.347 1.877 1.00 0.00 ATOM 134 CG ARG 31 -1.097 -16.627 2.937 1.00 0.00 ATOM 135 CD ARG 31 -0.992 -15.479 3.928 1.00 0.00 ATOM 136 NE ARG 31 -0.022 -15.757 4.985 1.00 0.00 ATOM 137 CZ ARG 31 0.322 -14.888 5.930 1.00 0.00 ATOM 138 NH1 ARG 31 1.213 -15.227 6.851 1.00 0.00 ATOM 139 NH2 ARG 31 -0.226 -13.680 5.951 1.00 0.00 ATOM 140 O ARG 31 -4.605 -16.678 0.573 1.00 0.00 ATOM 141 C ARG 31 -3.588 -17.138 0.036 1.00 0.00 ATOM 142 N ASN 32 -3.492 -17.369 -1.274 1.00 0.00 ATOM 143 CA ASN 32 -4.596 -17.131 -2.234 1.00 0.00 ATOM 144 CB ASN 32 -5.817 -17.975 -1.865 1.00 0.00 ATOM 145 CG ASN 32 -5.577 -19.460 -2.053 1.00 0.00 ATOM 146 ND2 ASN 32 -6.286 -20.275 -1.281 1.00 0.00 ATOM 147 OD1 ASN 32 -4.763 -19.867 -2.883 1.00 0.00 ATOM 148 O ASN 32 -6.291 -15.424 -2.448 1.00 0.00 ATOM 149 C ASN 32 -5.086 -15.690 -2.308 1.00 0.00 ATOM 150 N LEU 33 -4.135 -14.770 -2.209 1.00 0.00 ATOM 151 CA LEU 33 -4.413 -13.345 -2.210 1.00 0.00 ATOM 152 CB LEU 33 -4.071 -12.731 -0.851 1.00 0.00 ATOM 153 CG LEU 33 -4.838 -13.279 0.353 1.00 0.00 ATOM 154 CD1 LEU 33 -4.264 -12.733 1.651 1.00 0.00 ATOM 155 CD2 LEU 33 -6.306 -12.885 0.280 1.00 0.00 ATOM 156 O LEU 33 -2.703 -13.260 -3.918 1.00 0.00 ATOM 157 C LEU 33 -3.582 -12.643 -3.284 1.00 0.00 ATOM 158 N PRO 34 -3.887 -11.361 -3.493 1.00 0.00 ATOM 159 CA PRO 34 -3.128 -10.503 -4.386 1.00 0.00 ATOM 160 CB PRO 34 -4.176 -9.541 -4.952 1.00 0.00 ATOM 161 CG PRO 34 -5.145 -9.344 -3.835 1.00 0.00 ATOM 162 CD PRO 34 -5.264 -10.676 -3.147 1.00 0.00 ATOM 163 O PRO 34 -2.182 -9.699 -2.335 1.00 0.00 ATOM 164 C PRO 34 -2.059 -9.791 -3.559 1.00 0.00 ATOM 165 N ARG 35 -0.989 -9.313 -4.212 1.00 0.00 ATOM 166 CA ARG 35 -0.031 -8.477 -3.489 1.00 0.00 ATOM 167 CB ARG 35 1.035 -7.935 -4.445 1.00 0.00 ATOM 168 CG ARG 35 2.128 -7.128 -3.762 1.00 0.00 ATOM 169 CD ARG 35 3.119 -6.576 -4.774 1.00 0.00 ATOM 170 NE ARG 35 2.492 -5.634 -5.697 1.00 0.00 ATOM 171 CZ ARG 35 2.196 -4.374 -5.393 1.00 0.00 ATOM 172 NH1 ARG 35 1.626 -3.590 -6.298 1.00 0.00 ATOM 173 NH2 ARG 35 2.469 -3.902 -4.185 1.00 0.00 ATOM 174 O ARG 35 -0.318 -6.903 -1.699 1.00 0.00 ATOM 175 C ARG 35 -0.699 -7.268 -2.812 1.00 0.00 ATOM 176 N ALA 36 -1.691 -6.667 -3.468 1.00 0.00 ATOM 177 CA ALA 36 -2.347 -5.473 -2.915 1.00 0.00 ATOM 178 CB ALA 36 -3.404 -4.954 -3.879 1.00 0.00 ATOM 179 O ALA 36 -2.854 -5.083 -0.610 1.00 0.00 ATOM 180 C ALA 36 -3.021 -5.805 -1.592 1.00 0.00 ATOM 181 N ASP 37 -3.787 -6.892 -1.569 1.00 0.00 ATOM 182 CA ASP 37 -4.421 -7.367 -0.343 1.00 0.00 ATOM 183 CB ASP 37 -5.143 -8.694 -0.592 1.00 0.00 ATOM 184 CG ASP 37 -5.879 -9.197 0.634 1.00 0.00 ATOM 185 OD1 ASP 37 -6.793 -8.490 1.109 1.00 0.00 ATOM 186 OD2 ASP 37 -5.542 -10.297 1.119 1.00 0.00 ATOM 187 O ASP 37 -3.608 -7.145 1.921 1.00 0.00 ATOM 188 C ASP 37 -3.398 -7.598 0.783 1.00 0.00 ATOM 189 N LEU 38 -2.311 -8.307 0.472 1.00 0.00 ATOM 190 CA LEU 38 -1.252 -8.594 1.438 1.00 0.00 ATOM 191 CB LEU 38 -0.098 -9.337 0.764 1.00 0.00 ATOM 192 CG LEU 38 1.095 -9.690 1.656 1.00 0.00 ATOM 193 CD1 LEU 38 0.668 -10.620 2.781 1.00 0.00 ATOM 194 CD2 LEU 38 2.181 -10.385 0.850 1.00 0.00 ATOM 195 O LEU 38 -0.494 -7.220 3.297 1.00 0.00 ATOM 196 C LEU 38 -0.684 -7.304 2.059 1.00 0.00 ATOM 197 N LEU 39 -0.386 -6.319 1.210 1.00 0.00 ATOM 198 CA LEU 39 0.143 -5.044 1.697 1.00 0.00 ATOM 199 CB LEU 39 0.420 -4.096 0.529 1.00 0.00 ATOM 200 CG LEU 39 1.584 -4.475 -0.389 1.00 0.00 ATOM 201 CD1 LEU 39 1.634 -3.558 -1.602 1.00 0.00 ATOM 202 CD2 LEU 39 2.910 -4.361 0.348 1.00 0.00 ATOM 203 O LEU 39 -0.496 -3.872 3.704 1.00 0.00 ATOM 204 C LEU 39 -0.863 -4.379 2.634 1.00 0.00 ATOM 205 N ARG 40 -2.133 -4.385 2.236 1.00 0.00 ATOM 206 CA ARG 40 -3.179 -3.784 3.055 1.00 0.00 ATOM 207 CB ARG 40 -4.529 -3.856 2.337 1.00 0.00 ATOM 208 CG ARG 40 -4.644 -2.929 1.137 1.00 0.00 ATOM 209 CD ARG 40 -5.979 -3.105 0.431 1.00 0.00 ATOM 210 NE ARG 40 -6.095 -2.241 -0.740 1.00 0.00 ATOM 211 CZ ARG 40 -7.129 -2.251 -1.577 1.00 0.00 ATOM 212 NH1 ARG 40 -7.148 -1.429 -2.617 1.00 0.00 ATOM 213 NH2 ARG 40 -8.141 -3.082 -1.369 1.00 0.00 ATOM 214 O ARG 40 -3.477 -3.845 5.441 1.00 0.00 ATOM 215 C ARG 40 -3.326 -4.495 4.396 1.00 0.00 ATOM 216 N GLU 41 -3.283 -5.826 4.358 1.00 0.00 ATOM 217 CA GLU 41 -3.371 -6.627 5.574 1.00 0.00 ATOM 218 CB GLU 41 -3.387 -8.119 5.233 1.00 0.00 ATOM 219 CG GLU 41 -4.672 -8.590 4.572 1.00 0.00 ATOM 220 CD GLU 41 -4.606 -10.040 4.138 1.00 0.00 ATOM 221 OE1 GLU 41 -3.531 -10.657 4.286 1.00 0.00 ATOM 222 OE2 GLU 41 -5.630 -10.561 3.649 1.00 0.00 ATOM 223 O GLU 41 -2.346 -6.234 7.714 1.00 0.00 ATOM 224 C GLU 41 -2.177 -6.364 6.496 1.00 0.00 ATOM 225 N ALA 42 -0.984 -6.290 5.906 1.00 0.00 ATOM 226 CA ALA 42 0.241 -5.952 6.632 1.00 0.00 ATOM 227 CB ALA 42 1.410 -5.815 5.668 1.00 0.00 ATOM 228 O ALA 42 0.377 -4.543 8.557 1.00 0.00 ATOM 229 C ALA 42 0.060 -4.641 7.367 1.00 0.00 ATOM 230 N VAL 43 -0.482 -3.645 6.665 1.00 0.00 ATOM 231 CA VAL 43 -0.701 -2.324 7.248 1.00 0.00 ATOM 232 CB VAL 43 -1.299 -1.345 6.220 1.00 0.00 ATOM 233 CG1 VAL 43 -1.701 -0.044 6.896 1.00 0.00 ATOM 234 CG2 VAL 43 -0.282 -1.027 5.133 1.00 0.00 ATOM 235 O VAL 43 -1.359 -1.920 9.531 1.00 0.00 ATOM 236 C VAL 43 -1.671 -2.404 8.436 1.00 0.00 ATOM 237 N ASP 44 -2.829 -3.034 8.223 1.00 0.00 ATOM 238 CA ASP 44 -3.828 -3.182 9.287 1.00 0.00 ATOM 239 CB ASP 44 -5.007 -4.027 8.802 1.00 0.00 ATOM 240 CG ASP 44 -5.887 -3.288 7.813 1.00 0.00 ATOM 241 OD1 ASP 44 -5.730 -2.054 7.684 1.00 0.00 ATOM 242 OD2 ASP 44 -6.733 -3.940 7.167 1.00 0.00 ATOM 243 O ASP 44 -3.490 -3.401 11.669 1.00 0.00 ATOM 244 C ASP 44 -3.269 -3.864 10.543 1.00 0.00 ATOM 245 N GLN 45 -2.543 -4.956 10.340 1.00 0.00 ATOM 246 CA GLN 45 -1.968 -5.710 11.447 1.00 0.00 ATOM 247 CB GLN 45 -1.289 -6.981 10.934 1.00 0.00 ATOM 248 CG GLN 45 -2.254 -8.041 10.429 1.00 0.00 ATOM 249 CD GLN 45 -1.544 -9.236 9.824 1.00 0.00 ATOM 250 OE1 GLN 45 -0.319 -9.244 9.696 1.00 0.00 ATOM 251 NE2 GLN 45 -2.312 -10.252 9.451 1.00 0.00 ATOM 252 O GLN 45 -0.895 -4.880 13.433 1.00 0.00 ATOM 253 C GLN 45 -0.926 -4.887 12.194 1.00 0.00 ATOM 254 N TYR 46 -0.073 -4.192 11.449 1.00 0.00 ATOM 255 CA TYR 46 0.957 -3.383 12.071 1.00 0.00 ATOM 256 CB TYR 46 1.902 -2.811 11.012 1.00 0.00 ATOM 257 CG TYR 46 3.007 -1.952 11.578 1.00 0.00 ATOM 258 CD1 TYR 46 4.118 -2.528 12.183 1.00 0.00 ATOM 259 CD2 TYR 46 2.940 -0.566 11.506 1.00 0.00 ATOM 260 CE1 TYR 46 5.135 -1.751 12.705 1.00 0.00 ATOM 261 CE2 TYR 46 3.948 0.227 12.021 1.00 0.00 ATOM 262 CZ TYR 46 5.049 -0.377 12.623 1.00 0.00 ATOM 263 OH TYR 46 6.060 0.400 13.142 1.00 0.00 ATOM 264 O TYR 46 0.761 -1.955 13.992 1.00 0.00 ATOM 265 C TYR 46 0.356 -2.211 12.846 1.00 0.00 ATOM 266 N LEU 47 -0.620 -1.520 12.245 1.00 0.00 ATOM 267 CA LEU 47 -1.288 -0.402 12.933 1.00 0.00 ATOM 268 CB LEU 47 -2.393 0.186 12.052 1.00 0.00 ATOM 269 CG LEU 47 -1.934 0.945 10.805 1.00 0.00 ATOM 270 CD1 LEU 47 -3.124 1.315 9.932 1.00 0.00 ATOM 271 CD2 LEU 47 -1.211 2.226 11.191 1.00 0.00 ATOM 272 O LEU 47 -1.828 -0.147 15.283 1.00 0.00 ATOM 273 C LEU 47 -1.938 -0.838 14.262 1.00 0.00 ATOM 274 N ILE 48 -2.595 -1.995 14.250 1.00 0.00 ATOM 275 CA ILE 48 -3.253 -2.487 15.451 1.00 0.00 ATOM 276 CB ILE 48 -3.998 -3.809 15.187 1.00 0.00 ATOM 277 CG1 ILE 48 -5.189 -3.571 14.254 1.00 0.00 ATOM 278 CG2 ILE 48 -4.515 -4.398 16.489 1.00 0.00 ATOM 279 CD1 ILE 48 -5.816 -4.844 13.729 1.00 0.00 ATOM 280 O ILE 48 -2.482 -2.380 17.733 1.00 0.00 ATOM 281 C ILE 48 -2.242 -2.747 16.574 1.00 0.00 ATOM 282 N ASN 49 -1.118 -3.370 16.228 1.00 0.00 ATOM 283 CA ASN 49 -0.066 -3.667 17.207 1.00 0.00 ATOM 284 CB ASN 49 1.040 -4.508 16.566 1.00 0.00 ATOM 285 CG ASN 49 0.612 -5.940 16.313 1.00 0.00 ATOM 286 ND2 ASN 49 1.304 -6.612 15.402 1.00 0.00 ATOM 287 OD1 ASN 49 -0.331 -6.434 16.933 1.00 0.00 ATOM 288 O ASN 49 0.783 -2.217 18.937 1.00 0.00 ATOM 289 C ASN 49 0.553 -2.367 17.732 1.00 0.00 ATOM 290 N GLN 50 0.747 -1.410 16.832 1.00 0.00 ATOM 291 CA GLN 50 1.284 -0.097 17.172 1.00 0.00 ATOM 292 CB GLN 50 1.504 0.736 15.909 1.00 0.00 ATOM 293 CG GLN 50 2.169 2.079 16.158 1.00 0.00 ATOM 294 CD GLN 50 3.575 1.940 16.707 1.00 0.00 ATOM 295 OE1 GLN 50 4.372 1.144 16.207 1.00 0.00 ATOM 296 NE2 GLN 50 3.886 2.712 17.740 1.00 0.00 ATOM 297 O GLN 50 0.827 1.416 18.996 1.00 0.00 ATOM 298 C GLN 50 0.360 0.719 18.091 1.00 0.00 ATOM 299 N SER 51 -0.945 0.618 17.867 1.00 0.00 ATOM 300 CA SER 51 -1.927 1.416 18.606 1.00 0.00 ATOM 301 CB SER 51 -3.222 1.551 17.801 1.00 0.00 ATOM 302 OG SER 51 -3.870 0.300 17.664 1.00 0.00 ATOM 303 O SER 51 -2.872 1.557 20.826 1.00 0.00 ATOM 304 C SER 51 -2.332 0.834 19.979 1.00 0.00 ATOM 305 N GLN 52 -2.054 -0.452 20.206 1.00 0.00 ATOM 306 CA GLN 52 -2.512 -1.141 21.429 1.00 0.00 ATOM 307 CB GLN 52 -2.490 -2.658 21.229 1.00 0.00 ATOM 308 CG GLN 52 -2.973 -3.450 22.434 1.00 0.00 ATOM 309 CD GLN 52 -3.056 -4.938 22.159 1.00 0.00 ATOM 310 OE1 GLN 52 -2.948 -5.374 21.012 1.00 0.00 ATOM 311 NE2 GLN 52 -3.249 -5.724 23.211 1.00 0.00 ATOM 312 O GLN 52 -0.430 -0.749 22.564 1.00 0.00 ATOM 313 C GLN 52 -1.655 -0.849 22.669 1.00 0.00 ATOM 314 N THR 53 -2.302 -0.716 23.830 1.00 0.00 ATOM 315 CA THR 53 -1.603 -0.552 25.116 1.00 0.00 ATOM 316 CB THR 53 -2.550 -0.025 26.210 1.00 0.00 ATOM 317 CG2 THR 53 -2.995 1.394 25.891 1.00 0.00 ATOM 318 OG1 THR 53 -3.707 -0.867 26.291 1.00 0.00 ATOM 319 O THR 53 -1.694 -2.921 25.503 1.00 0.00 ATOM 320 C THR 53 -1.032 -1.886 25.597 1.00 0.00 TER END