PFRMAT TS TARGET T0387 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 T0387 model 2 Mon May 5 19:36:26 2008 MODEL 2 PARENT N/A ATOM 2 N LYS 3 6.462 30.968 17.142 1.00 0.00 ATOM 3 CA LYS 3 7.600 30.834 18.027 1.00 0.00 ATOM 4 CB LYS 3 7.223 30.015 19.264 1.00 0.00 ATOM 5 CG LYS 3 6.851 28.572 18.963 1.00 0.00 ATOM 6 CD LYS 3 6.469 27.825 20.231 1.00 0.00 ATOM 7 CE LYS 3 6.105 26.380 19.932 1.00 0.00 ATOM 8 NZ LYS 3 5.786 25.620 21.172 1.00 0.00 ATOM 9 O LYS 3 8.487 29.418 16.340 1.00 0.00 ATOM 10 C LYS 3 8.744 30.124 17.297 1.00 0.00 ATOM 11 N PRO 4 9.988 30.299 17.766 1.00 0.00 ATOM 12 CA PRO 4 11.065 29.563 17.118 1.00 0.00 ATOM 13 CB PRO 4 12.326 30.035 17.845 1.00 0.00 ATOM 14 CG PRO 4 11.959 31.372 18.399 1.00 0.00 ATOM 15 CD PRO 4 10.515 31.274 18.800 1.00 0.00 ATOM 16 O PRO 4 10.281 27.581 18.249 1.00 0.00 ATOM 17 C PRO 4 10.870 28.053 17.265 1.00 0.00 ATOM 18 N LYS 5 11.428 27.306 16.312 1.00 0.00 ATOM 19 CA LYS 5 11.389 25.841 16.286 1.00 0.00 ATOM 20 CB LYS 5 10.963 25.340 14.905 1.00 0.00 ATOM 21 CG LYS 5 9.533 25.694 14.529 1.00 0.00 ATOM 22 CD LYS 5 9.174 25.157 13.155 1.00 0.00 ATOM 23 CE LYS 5 7.759 25.550 12.759 1.00 0.00 ATOM 24 NZ LYS 5 7.402 25.050 11.404 1.00 0.00 ATOM 25 O LYS 5 13.737 25.696 16.000 1.00 0.00 ATOM 26 C LYS 5 12.753 25.292 16.601 1.00 0.00 ATOM 27 N LEU 6 12.813 24.305 17.483 1.00 0.00 ATOM 28 CA LEU 6 14.032 23.561 17.752 1.00 0.00 ATOM 29 CB LEU 6 14.098 23.155 19.227 1.00 0.00 ATOM 30 CG LEU 6 14.111 24.297 20.244 1.00 0.00 ATOM 31 CD1 LEU 6 14.065 23.752 21.664 1.00 0.00 ATOM 32 CD2 LEU 6 15.372 25.134 20.096 1.00 0.00 ATOM 33 O LEU 6 13.175 21.424 16.977 1.00 0.00 ATOM 34 C LEU 6 14.058 22.297 16.885 1.00 0.00 ATOM 35 N CYS 7 15.047 22.219 16.004 1.00 0.00 ATOM 36 CA CYS 7 15.262 21.148 15.100 1.00 0.00 ATOM 37 CB CYS 7 15.528 21.681 13.690 1.00 0.00 ATOM 38 SG CYS 7 14.129 22.552 12.946 1.00 0.00 ATOM 39 O CYS 7 17.617 20.756 15.479 1.00 0.00 ATOM 40 C CYS 7 16.477 20.318 15.554 1.00 0.00 ATOM 41 N ARG 8 16.207 19.105 16.002 1.00 0.00 ATOM 42 CA ARG 8 17.207 18.242 16.619 1.00 0.00 ATOM 43 CB ARG 8 16.673 17.652 17.924 1.00 0.00 ATOM 44 CG ARG 8 17.674 16.783 18.668 1.00 0.00 ATOM 45 CD ARG 8 17.099 16.276 19.981 1.00 0.00 ATOM 46 NE ARG 8 18.045 15.429 20.704 1.00 0.00 ATOM 47 CZ ARG 8 17.762 14.786 21.831 1.00 0.00 ATOM 48 NH1 ARG 8 18.686 14.039 22.419 1.00 0.00 ATOM 49 NH2 ARG 8 16.555 14.891 22.369 1.00 0.00 ATOM 50 O ARG 8 16.574 16.508 15.030 1.00 0.00 ATOM 51 C ARG 8 17.503 17.116 15.592 1.00 0.00 ATOM 52 N LEU 9 18.796 16.856 15.316 1.00 0.00 ATOM 53 CA LEU 9 19.175 15.933 14.304 1.00 0.00 ATOM 54 CB LEU 9 19.345 16.647 12.962 1.00 0.00 ATOM 55 CG LEU 9 20.572 17.551 12.826 1.00 0.00 ATOM 56 CD1 LEU 9 20.829 17.895 11.367 1.00 0.00 ATOM 57 CD2 LEU 9 20.371 18.850 13.593 1.00 0.00 ATOM 58 O LEU 9 21.295 15.776 15.288 1.00 0.00 ATOM 59 C LEU 9 20.472 15.241 14.608 1.00 0.00 ATOM 60 N ALA 10 20.559 14.011 14.145 1.00 0.00 ATOM 61 CA ALA 10 21.780 13.182 14.229 1.00 0.00 ATOM 62 CB ALA 10 21.485 11.875 14.952 1.00 0.00 ATOM 63 O ALA 10 21.449 12.554 11.936 1.00 0.00 ATOM 64 C ALA 10 22.267 12.879 12.817 1.00 0.00 ATOM 65 N LYS 11 23.589 12.916 12.580 1.00 0.00 ATOM 66 CA LYS 11 24.081 12.654 11.261 1.00 0.00 ATOM 67 CB LYS 11 25.603 12.806 11.218 1.00 0.00 ATOM 68 CG LYS 11 26.205 12.623 9.834 1.00 0.00 ATOM 69 CD LYS 11 27.708 12.852 9.851 1.00 0.00 ATOM 70 CE LYS 11 28.306 12.696 8.463 1.00 0.00 ATOM 71 NZ LYS 11 29.783 12.891 8.468 1.00 0.00 ATOM 72 O LYS 11 23.885 10.294 11.550 1.00 0.00 ATOM 73 C LYS 11 23.757 11.268 10.792 1.00 0.00 ATOM 74 N GLY 12 23.387 11.177 9.521 1.00 0.00 ATOM 75 CA GLY 12 23.415 9.912 8.779 1.00 0.00 ATOM 76 O GLY 12 25.690 10.478 8.169 1.00 0.00 ATOM 77 C GLY 12 24.700 9.744 7.977 1.00 0.00 ATOM 78 N GLU 13 24.698 8.776 7.067 1.00 0.00 ATOM 79 CA GLU 13 25.844 8.510 6.187 1.00 0.00 ATOM 80 CB GLU 13 25.517 7.384 5.206 1.00 0.00 ATOM 81 CG GLU 13 25.420 6.009 5.847 1.00 0.00 ATOM 82 CD GLU 13 25.002 4.935 4.861 1.00 0.00 ATOM 83 OE1 GLU 13 24.719 5.276 3.693 1.00 0.00 ATOM 84 OE2 GLU 13 24.957 3.750 5.258 1.00 0.00 ATOM 85 O GLU 13 27.495 9.812 4.949 1.00 0.00 ATOM 86 C GLU 13 26.298 9.704 5.328 1.00 0.00 ATOM 87 N ASN 14 25.350 10.572 5.004 1.00 0.00 ATOM 88 CA ASN 14 25.600 11.746 4.195 1.00 0.00 ATOM 89 CB ASN 14 24.538 11.878 3.101 1.00 0.00 ATOM 90 CG ASN 14 24.597 10.748 2.093 1.00 0.00 ATOM 91 ND2 ASN 14 23.564 9.913 2.080 1.00 0.00 ATOM 92 OD1 ASN 14 25.560 10.628 1.336 1.00 0.00 ATOM 93 O ASN 14 25.431 14.083 4.461 1.00 0.00 ATOM 94 C ASN 14 25.569 13.013 5.038 1.00 0.00 ATOM 95 N GLY 15 25.731 12.922 6.355 1.00 0.00 ATOM 96 CA GLY 15 25.638 14.103 7.211 1.00 0.00 ATOM 97 O GLY 15 23.349 13.498 7.634 1.00 0.00 ATOM 98 C GLY 15 24.189 14.392 7.575 1.00 0.00 ATOM 99 N TYR 16 23.904 15.661 7.833 1.00 0.00 ATOM 100 CA TYR 16 22.546 16.064 8.198 1.00 0.00 ATOM 101 CB TYR 16 22.565 17.398 8.947 1.00 0.00 ATOM 102 CG TYR 16 23.239 17.331 10.299 1.00 0.00 ATOM 103 CD1 TYR 16 23.488 16.109 10.910 1.00 0.00 ATOM 104 CD2 TYR 16 23.624 18.491 10.959 1.00 0.00 ATOM 105 CE1 TYR 16 24.103 16.040 12.147 1.00 0.00 ATOM 106 CE2 TYR 16 24.240 18.440 12.195 1.00 0.00 ATOM 107 CZ TYR 16 24.478 17.200 12.787 1.00 0.00 ATOM 108 OH TYR 16 25.090 17.134 14.017 1.00 0.00 ATOM 109 O TYR 16 20.426 16.086 7.215 1.00 0.00 ATOM 110 C TYR 16 21.639 16.241 7.031 1.00 0.00 ATOM 111 N GLY 17 22.147 16.672 5.869 1.00 0.00 ATOM 112 CA GLY 17 21.304 16.875 4.727 1.00 0.00 ATOM 113 O GLY 17 19.558 18.410 4.092 1.00 0.00 ATOM 114 C GLY 17 20.713 18.268 4.564 1.00 0.00 ATOM 115 N PHE 18 21.480 19.292 4.911 1.00 0.00 ATOM 116 CA PHE 18 21.072 20.646 4.561 1.00 0.00 ATOM 117 CB PHE 18 20.405 21.330 5.757 1.00 0.00 ATOM 118 CG PHE 18 21.326 21.545 6.924 1.00 0.00 ATOM 119 CD1 PHE 18 22.048 22.719 7.047 1.00 0.00 ATOM 120 CD2 PHE 18 21.472 20.571 7.897 1.00 0.00 ATOM 121 CE1 PHE 18 22.897 22.915 8.121 1.00 0.00 ATOM 122 CE2 PHE 18 22.319 20.767 8.971 1.00 0.00 ATOM 123 CZ PHE 18 23.031 21.934 9.085 1.00 0.00 ATOM 124 O PHE 18 23.401 21.189 4.547 1.00 0.00 ATOM 125 C PHE 18 22.257 21.478 4.144 1.00 0.00 ATOM 126 N HIS 19 21.958 22.543 3.397 1.00 0.00 ATOM 127 CA HIS 19 22.958 23.529 3.005 1.00 0.00 ATOM 128 CB HIS 19 22.917 23.760 1.493 1.00 0.00 ATOM 129 CG HIS 19 24.018 24.638 0.985 1.00 0.00 ATOM 130 CD2 HIS 19 25.344 24.420 0.424 1.00 0.00 ATOM 131 ND1 HIS 19 23.929 26.012 0.974 1.00 0.00 ATOM 132 CE1 HIS 19 25.067 26.520 0.465 1.00 0.00 ATOM 133 NE2 HIS 19 25.919 25.570 0.133 1.00 0.00 ATOM 134 O HIS 19 21.489 25.207 3.817 1.00 0.00 ATOM 135 C HIS 19 22.639 24.826 3.737 1.00 0.00 ATOM 136 N LEU 20 23.669 25.444 4.296 1.00 0.00 ATOM 137 CA LEU 20 23.592 26.700 5.062 1.00 0.00 ATOM 138 CB LEU 20 24.304 26.551 6.409 1.00 0.00 ATOM 139 CG LEU 20 24.304 27.784 7.316 1.00 0.00 ATOM 140 CD1 LEU 20 22.895 28.100 7.792 1.00 0.00 ATOM 141 CD2 LEU 20 25.178 27.552 8.537 1.00 0.00 ATOM 142 O LEU 20 25.293 27.556 3.657 1.00 0.00 ATOM 143 C LEU 20 24.264 27.817 4.261 1.00 0.00 ATOM 144 N ASN 21 23.696 29.022 4.239 1.00 0.00 ATOM 145 CA ASN 21 24.290 30.105 3.492 1.00 0.00 ATOM 146 CB ASN 21 23.781 30.104 2.050 1.00 0.00 ATOM 147 CG ASN 21 22.321 30.505 1.947 1.00 0.00 ATOM 148 ND2 ASN 21 21.781 30.459 0.735 1.00 0.00 ATOM 149 OD1 ASN 21 21.692 30.852 2.945 1.00 0.00 ATOM 150 O ASN 21 23.047 31.737 4.710 1.00 0.00 ATOM 151 C ASN 21 24.011 31.483 4.027 1.00 0.00 ATOM 152 N ALA 22 24.932 32.378 3.682 1.00 0.00 ATOM 153 CA ALA 22 24.771 33.786 3.948 1.00 0.00 ATOM 154 CB ALA 22 26.115 34.495 3.882 1.00 0.00 ATOM 155 O ALA 22 23.737 33.923 1.797 1.00 0.00 ATOM 156 C ALA 22 23.843 34.408 2.921 1.00 0.00 ATOM 157 N ILE 23 23.294 35.565 3.275 1.00 0.00 ATOM 158 CA ILE 23 22.485 36.361 2.359 1.00 0.00 ATOM 159 CB ILE 23 21.117 36.713 2.974 1.00 0.00 ATOM 160 CG1 ILE 23 20.375 35.441 3.387 1.00 0.00 ATOM 161 CG2 ILE 23 20.259 37.468 1.969 1.00 0.00 ATOM 162 CD1 ILE 23 20.092 34.499 2.237 1.00 0.00 ATOM 163 O ILE 23 23.849 38.207 2.916 1.00 0.00 ATOM 164 C ILE 23 23.234 37.649 2.047 1.00 0.00 ATOM 165 N ARG 24 23.167 38.109 0.810 1.00 0.00 ATOM 166 CA ARG 24 23.945 39.265 0.380 1.00 0.00 ATOM 167 CB ARG 24 23.913 39.396 -1.144 1.00 0.00 ATOM 168 CG ARG 24 24.704 38.324 -1.875 1.00 0.00 ATOM 169 CD ARG 24 24.562 38.463 -3.382 1.00 0.00 ATOM 170 NE ARG 24 25.308 37.434 -4.100 1.00 0.00 ATOM 171 CZ ARG 24 25.249 37.249 -5.416 1.00 0.00 ATOM 172 NH1 ARG 24 25.965 36.287 -5.982 1.00 0.00 ATOM 173 NH2 ARG 24 24.476 38.026 -6.160 1.00 0.00 ATOM 174 O ARG 24 24.082 41.539 1.145 1.00 0.00 ATOM 175 C ARG 24 23.367 40.545 0.995 1.00 0.00 ATOM 176 N GLY 25 22.062 40.502 1.331 1.00 0.00 ATOM 177 CA GLY 25 21.294 41.682 1.767 1.00 0.00 ATOM 178 O GLY 25 20.512 42.766 3.739 1.00 0.00 ATOM 179 C GLY 25 20.874 41.703 3.228 1.00 0.00 ATOM 180 N LEU 26 20.848 40.574 3.916 1.00 0.00 ATOM 181 CA LEU 26 20.450 40.619 5.321 1.00 0.00 ATOM 182 CB LEU 26 18.980 40.217 5.474 1.00 0.00 ATOM 183 CG LEU 26 17.953 41.148 4.828 1.00 0.00 ATOM 184 CD1 LEU 26 16.566 40.523 4.859 1.00 0.00 ATOM 185 CD2 LEU 26 17.892 42.477 5.566 1.00 0.00 ATOM 186 O LEU 26 21.824 38.743 5.679 1.00 0.00 ATOM 187 C LEU 26 21.248 39.698 6.191 1.00 0.00 ATOM 188 N PRO 27 21.354 40.026 7.491 1.00 0.00 ATOM 189 CA PRO 27 22.259 39.326 8.360 1.00 0.00 ATOM 190 CB PRO 27 22.349 40.222 9.598 1.00 0.00 ATOM 191 CG PRO 27 21.042 40.939 9.637 1.00 0.00 ATOM 192 CD PRO 27 20.662 41.191 8.204 1.00 0.00 ATOM 193 O PRO 27 20.482 37.747 8.677 1.00 0.00 ATOM 194 C PRO 27 21.692 37.951 8.688 1.00 0.00 ATOM 195 N GLY 28 22.588 37.064 9.045 1.00 0.00 ATOM 196 CA GLY 28 22.249 35.744 9.519 1.00 0.00 ATOM 197 O GLY 28 22.956 34.822 7.419 1.00 0.00 ATOM 198 C GLY 28 22.585 34.633 8.561 1.00 0.00 ATOM 199 N SER 29 22.396 33.423 9.069 1.00 0.00 ATOM 200 CA SER 29 22.639 32.214 8.335 1.00 0.00 ATOM 201 CB SER 29 23.584 31.297 9.112 1.00 0.00 ATOM 202 OG SER 29 24.877 31.867 9.219 1.00 0.00 ATOM 203 O SER 29 20.559 31.251 9.038 1.00 0.00 ATOM 204 C SER 29 21.328 31.498 8.112 1.00 0.00 ATOM 205 N PHE 30 21.094 31.187 6.833 1.00 0.00 ATOM 206 CA PHE 30 19.815 30.678 6.347 1.00 0.00 ATOM 207 CB PHE 30 19.243 31.604 5.270 1.00 0.00 ATOM 208 CG PHE 30 18.907 32.979 5.770 1.00 0.00 ATOM 209 CD1 PHE 30 19.828 34.009 5.680 1.00 0.00 ATOM 210 CD2 PHE 30 17.670 33.245 6.330 1.00 0.00 ATOM 211 CE1 PHE 30 19.519 35.274 6.139 1.00 0.00 ATOM 212 CE2 PHE 30 17.361 34.510 6.790 1.00 0.00 ATOM 213 CZ PHE 30 18.279 35.524 6.696 1.00 0.00 ATOM 214 O PHE 30 20.990 28.961 5.181 1.00 0.00 ATOM 215 C PHE 30 19.968 29.303 5.748 1.00 0.00 ATOM 216 N ILE 31 18.932 28.490 5.876 1.00 0.00 ATOM 217 CA ILE 31 18.890 27.176 5.219 1.00 0.00 ATOM 218 CB ILE 31 17.781 26.286 5.811 1.00 0.00 ATOM 219 CG1 ILE 31 17.975 26.125 7.321 1.00 0.00 ATOM 220 CG2 ILE 31 17.811 24.905 5.174 1.00 0.00 ATOM 221 CD1 ILE 31 19.291 25.485 7.703 1.00 0.00 ATOM 222 O ILE 31 17.536 27.806 3.348 1.00 0.00 ATOM 223 C ILE 31 18.619 27.352 3.732 1.00 0.00 ATOM 224 N LYS 32 19.590 27.032 2.878 1.00 0.00 ATOM 225 CA LYS 32 19.347 27.113 1.452 1.00 0.00 ATOM 226 CB LYS 32 20.661 26.995 0.677 1.00 0.00 ATOM 227 CG LYS 32 20.507 27.131 -0.829 1.00 0.00 ATOM 228 CD LYS 32 21.857 27.096 -1.528 1.00 0.00 ATOM 229 CE LYS 32 21.702 27.208 -3.036 1.00 0.00 ATOM 230 NZ LYS 32 23.015 27.155 -3.734 1.00 0.00 ATOM 231 O LYS 32 17.554 26.211 0.094 1.00 0.00 ATOM 232 C LYS 32 18.417 25.998 0.951 1.00 0.00 ATOM 233 N GLU 33 18.644 24.790 1.452 1.00 0.00 ATOM 234 CA GLU 33 17.971 23.598 0.980 1.00 0.00 ATOM 235 CB GLU 33 18.639 23.074 -0.293 1.00 0.00 ATOM 236 CG GLU 33 20.073 22.611 -0.096 1.00 0.00 ATOM 237 CD GLU 33 20.730 22.179 -1.392 1.00 0.00 ATOM 238 OE1 GLU 33 20.064 22.244 -2.446 1.00 0.00 ATOM 239 OE2 GLU 33 21.911 21.773 -1.353 1.00 0.00 ATOM 240 O GLU 33 18.934 22.518 2.870 1.00 0.00 ATOM 241 C GLU 33 18.040 22.525 2.056 1.00 0.00 ATOM 242 N VAL 34 17.086 21.599 2.005 1.00 0.00 ATOM 243 CA VAL 34 16.982 20.439 2.869 1.00 0.00 ATOM 244 CB VAL 34 15.818 20.583 3.866 1.00 0.00 ATOM 245 CG1 VAL 34 15.712 19.344 4.743 1.00 0.00 ATOM 246 CG2 VAL 34 16.032 21.790 4.767 1.00 0.00 ATOM 247 O VAL 34 15.802 19.168 1.187 1.00 0.00 ATOM 248 C VAL 34 16.738 19.198 1.979 1.00 0.00 ATOM 249 N GLN 35 17.625 18.207 2.099 1.00 0.00 ATOM 250 CA GLN 35 17.552 17.077 1.243 1.00 0.00 ATOM 251 CB GLN 35 18.831 16.242 1.347 1.00 0.00 ATOM 252 CG GLN 35 18.852 15.023 0.438 1.00 0.00 ATOM 253 CD GLN 35 20.182 14.295 0.471 1.00 0.00 ATOM 254 OE1 GLN 35 21.125 14.737 1.127 1.00 0.00 ATOM 255 NE2 GLN 35 20.259 13.177 -0.239 1.00 0.00 ATOM 256 O GLN 35 16.073 16.004 2.838 1.00 0.00 ATOM 257 C GLN 35 16.356 16.192 1.631 1.00 0.00 ATOM 258 N LYS 36 15.700 15.576 0.638 1.00 0.00 ATOM 259 CA LYS 36 14.663 14.598 0.913 1.00 0.00 ATOM 260 CB LYS 36 14.121 14.012 -0.393 1.00 0.00 ATOM 261 CG LYS 36 12.973 13.033 -0.205 1.00 0.00 ATOM 262 CD LYS 36 12.441 12.543 -1.542 1.00 0.00 ATOM 263 CE LYS 36 11.276 11.586 -1.353 1.00 0.00 ATOM 264 NZ LYS 36 10.760 11.076 -2.653 1.00 0.00 ATOM 265 O LYS 36 16.304 12.986 1.535 1.00 0.00 ATOM 266 C LYS 36 15.166 13.453 1.748 1.00 0.00 ATOM 267 N GLY 37 14.343 12.965 2.641 1.00 0.00 ATOM 268 CA GLY 37 14.650 11.753 3.382 1.00 0.00 ATOM 269 O GLY 37 16.496 10.831 4.590 1.00 0.00 ATOM 270 C GLY 37 15.877 11.839 4.263 1.00 0.00 ATOM 271 N GLY 38 16.212 13.059 4.675 1.00 0.00 ATOM 272 CA GLY 38 17.373 13.332 5.544 1.00 0.00 ATOM 273 O GLY 38 15.870 13.829 7.310 1.00 0.00 ATOM 274 C GLY 38 17.036 13.547 6.993 1.00 0.00 ATOM 275 N PRO 39 18.036 13.488 7.888 1.00 0.00 ATOM 276 CA PRO 39 17.818 13.878 9.281 1.00 0.00 ATOM 277 CB PRO 39 19.205 13.772 9.916 1.00 0.00 ATOM 278 CG PRO 39 19.907 12.731 9.109 1.00 0.00 ATOM 279 CD PRO 39 19.471 12.944 7.687 1.00 0.00 ATOM 280 O PRO 39 16.403 15.573 10.217 1.00 0.00 ATOM 281 C PRO 39 17.271 15.293 9.384 1.00 0.00 ATOM 282 N ALA 40 17.795 16.187 8.572 1.00 0.00 ATOM 283 CA ALA 40 17.357 17.587 8.630 1.00 0.00 ATOM 284 CB ALA 40 18.145 18.430 7.638 1.00 0.00 ATOM 285 O ALA 40 15.054 18.322 8.933 1.00 0.00 ATOM 286 C ALA 40 15.841 17.641 8.274 1.00 0.00 ATOM 287 N ASP 41 15.407 16.947 7.229 1.00 0.00 ATOM 288 CA ASP 41 14.008 16.959 6.841 1.00 0.00 ATOM 289 CB ASP 41 13.788 16.091 5.601 1.00 0.00 ATOM 290 CG ASP 41 12.353 16.124 5.113 1.00 0.00 ATOM 291 OD1 ASP 41 11.874 17.220 4.750 1.00 0.00 ATOM 292 OD2 ASP 41 11.706 15.056 5.093 1.00 0.00 ATOM 293 O ASP 41 12.129 16.990 8.360 1.00 0.00 ATOM 294 C ASP 41 13.155 16.404 8.008 1.00 0.00 ATOM 295 N LEU 42 13.575 15.282 8.584 1.00 0.00 ATOM 296 CA LEU 42 12.812 14.676 9.669 1.00 0.00 ATOM 297 CB LEU 42 13.486 13.388 10.145 1.00 0.00 ATOM 298 CG LEU 42 13.471 12.213 9.167 1.00 0.00 ATOM 299 CD1 LEU 42 14.313 11.061 9.694 1.00 0.00 ATOM 300 CD2 LEU 42 12.053 11.706 8.955 1.00 0.00 ATOM 301 O LEU 42 11.699 15.474 11.666 1.00 0.00 ATOM 302 C LEU 42 12.660 15.570 10.905 1.00 0.00 ATOM 303 N ALA 43 13.618 16.456 11.119 1.00 0.00 ATOM 304 CA ALA 43 13.617 17.396 12.231 1.00 0.00 ATOM 305 CB ALA 43 14.994 18.018 12.401 1.00 0.00 ATOM 306 O ALA 43 12.401 19.250 13.051 1.00 0.00 ATOM 307 C ALA 43 12.651 18.533 12.077 1.00 0.00 ATOM 308 N GLY 44 12.139 18.713 10.864 1.00 0.00 ATOM 309 CA GLY 44 11.210 19.814 10.538 1.00 0.00 ATOM 310 O GLY 44 11.217 22.070 9.828 1.00 0.00 ATOM 311 C GLY 44 11.870 21.066 10.006 1.00 0.00 ATOM 312 N LEU 45 13.157 20.991 9.691 1.00 0.00 ATOM 313 CA LEU 45 13.904 22.159 9.136 1.00 0.00 ATOM 314 CB LEU 45 15.403 21.858 9.078 1.00 0.00 ATOM 315 CG LEU 45 16.310 23.014 8.651 1.00 0.00 ATOM 316 CD1 LEU 45 16.280 24.129 9.684 1.00 0.00 ATOM 317 CD2 LEU 45 17.748 22.542 8.503 1.00 0.00 ATOM 318 O LEU 45 13.093 21.508 6.962 1.00 0.00 ATOM 319 C LEU 45 13.358 22.421 7.709 1.00 0.00 ATOM 320 N GLU 46 13.256 23.692 7.338 1.00 0.00 ATOM 321 CA GLU 46 12.765 24.137 6.045 1.00 0.00 ATOM 322 CB GLU 46 11.388 24.787 6.190 1.00 0.00 ATOM 323 CG GLU 46 10.302 23.838 6.671 1.00 0.00 ATOM 324 CD GLU 46 8.950 24.513 6.789 1.00 0.00 ATOM 325 OE1 GLU 46 8.872 25.735 6.545 1.00 0.00 ATOM 326 OE2 GLU 46 7.967 23.820 7.128 1.00 0.00 ATOM 327 O GLU 46 14.338 25.941 6.122 1.00 0.00 ATOM 328 C GLU 46 13.685 25.152 5.411 1.00 0.00 ATOM 329 N ASP 47 13.705 25.163 4.094 1.00 0.00 ATOM 330 CA ASP 47 14.407 26.205 3.366 1.00 0.00 ATOM 331 CB ASP 47 14.147 26.076 1.863 1.00 0.00 ATOM 332 CG ASP 47 14.848 24.878 1.253 1.00 0.00 ATOM 333 OD1 ASP 47 15.685 24.263 1.944 1.00 0.00 ATOM 334 OD2 ASP 47 14.559 24.555 0.081 1.00 0.00 ATOM 335 O ASP 47 12.748 27.819 4.019 1.00 0.00 ATOM 336 C ASP 47 13.953 27.593 3.803 1.00 0.00 ATOM 337 N GLU 48 14.934 28.491 3.919 1.00 0.00 ATOM 338 CA GLU 48 14.779 29.870 4.327 1.00 0.00 ATOM 339 CB GLU 48 13.531 30.482 3.689 1.00 0.00 ATOM 340 CG GLU 48 13.585 30.565 2.173 1.00 0.00 ATOM 341 CD GLU 48 12.313 31.130 1.573 1.00 0.00 ATOM 342 OE1 GLU 48 11.227 30.586 1.865 1.00 0.00 ATOM 343 OE2 GLU 48 12.401 32.118 0.814 1.00 0.00 ATOM 344 O GLU 48 14.616 31.210 6.295 1.00 0.00 ATOM 345 C GLU 48 14.636 30.064 5.829 1.00 0.00 ATOM 346 N ASP 49 14.659 28.974 6.582 1.00 0.00 ATOM 347 CA ASP 49 14.792 29.131 8.041 1.00 0.00 ATOM 348 CB ASP 49 14.786 27.764 8.729 1.00 0.00 ATOM 349 CG ASP 49 13.413 27.121 8.738 1.00 0.00 ATOM 350 OD1 ASP 49 12.434 27.808 8.379 1.00 0.00 ATOM 351 OD2 ASP 49 13.318 25.931 9.103 1.00 0.00 ATOM 352 O ASP 49 17.112 29.624 7.700 1.00 0.00 ATOM 353 C ASP 49 16.115 29.847 8.371 1.00 0.00 ATOM 354 N VAL 50 16.142 30.667 9.424 1.00 0.00 ATOM 355 CA VAL 50 17.313 31.382 9.908 1.00 0.00 ATOM 356 CB VAL 50 17.025 32.886 10.078 1.00 0.00 ATOM 357 CG1 VAL 50 18.247 33.602 10.632 1.00 0.00 ATOM 358 CG2 VAL 50 16.663 33.513 8.741 1.00 0.00 ATOM 359 O VAL 50 16.906 30.697 12.170 1.00 0.00 ATOM 360 C VAL 50 17.735 30.819 11.258 1.00 0.00 ATOM 361 N ILE 51 19.025 30.495 11.418 1.00 0.00 ATOM 362 CA ILE 51 19.544 29.910 12.636 1.00 0.00 ATOM 363 CB ILE 51 20.892 29.206 12.395 1.00 0.00 ATOM 364 CG1 ILE 51 20.720 28.051 11.406 1.00 0.00 ATOM 365 CG2 ILE 51 21.443 28.648 13.697 1.00 0.00 ATOM 366 CD1 ILE 51 22.028 27.452 10.933 1.00 0.00 ATOM 367 O ILE 51 20.533 31.916 13.467 1.00 0.00 ATOM 368 C ILE 51 19.752 31.001 13.676 1.00 0.00 ATOM 369 N ILE 52 19.106 30.857 14.839 1.00 0.00 ATOM 370 CA ILE 52 19.302 31.811 15.929 1.00 0.00 ATOM 371 CB ILE 52 17.957 32.291 16.505 1.00 0.00 ATOM 372 CG1 ILE 52 17.184 33.097 15.459 1.00 0.00 ATOM 373 CG2 ILE 52 18.185 33.175 17.722 1.00 0.00 ATOM 374 CD1 ILE 52 15.759 33.410 15.858 1.00 0.00 ATOM 375 O ILE 52 20.764 31.959 17.798 1.00 0.00 ATOM 376 C ILE 52 20.094 31.214 17.089 1.00 0.00 ATOM 377 N GLU 53 20.049 29.881 17.281 1.00 0.00 ATOM 378 CA GLU 53 20.912 29.212 18.276 1.00 0.00 ATOM 379 CB GLU 53 20.132 28.941 19.565 1.00 0.00 ATOM 380 CG GLU 53 19.652 30.197 20.276 1.00 0.00 ATOM 381 CD GLU 53 18.901 29.889 21.556 1.00 0.00 ATOM 382 OE1 GLU 53 18.718 28.692 21.865 1.00 0.00 ATOM 383 OE2 GLU 53 18.498 30.845 22.252 1.00 0.00 ATOM 384 O GLU 53 20.716 27.231 16.958 1.00 0.00 ATOM 385 C GLU 53 21.411 27.888 17.715 1.00 0.00 ATOM 386 N VAL 54 22.619 27.502 18.103 1.00 0.00 ATOM 387 CA VAL 54 23.183 26.177 17.877 1.00 0.00 ATOM 388 CB VAL 54 24.460 26.245 17.019 1.00 0.00 ATOM 389 CG1 VAL 54 25.050 24.856 16.828 1.00 0.00 ATOM 390 CG2 VAL 54 24.151 26.829 15.649 1.00 0.00 ATOM 391 O VAL 54 24.280 26.128 19.965 1.00 0.00 ATOM 392 C VAL 54 23.523 25.571 19.226 1.00 0.00 ATOM 393 N ASN 55 22.896 24.459 19.558 1.00 0.00 ATOM 394 CA ASN 55 23.139 23.790 20.810 1.00 0.00 ATOM 395 CB ASN 55 24.542 23.182 20.830 1.00 0.00 ATOM 396 CG ASN 55 24.710 22.136 21.915 1.00 0.00 ATOM 397 ND2 ASN 55 25.930 21.999 22.419 1.00 0.00 ATOM 398 OD1 ASN 55 23.752 21.462 22.292 1.00 0.00 ATOM 399 O ASN 55 23.781 24.739 22.955 1.00 0.00 ATOM 400 C ASN 55 23.023 24.771 21.977 1.00 0.00 ATOM 401 N GLY 56 22.014 25.613 21.900 1.00 0.00 ATOM 402 CA GLY 56 21.676 26.540 22.959 1.00 0.00 ATOM 403 O GLY 56 22.256 28.647 23.909 1.00 0.00 ATOM 404 C GLY 56 22.501 27.799 23.034 1.00 0.00 ATOM 405 N VAL 57 23.450 27.962 22.119 1.00 0.00 ATOM 406 CA VAL 57 24.299 29.134 22.114 1.00 0.00 ATOM 407 CB VAL 57 25.749 28.778 21.736 1.00 0.00 ATOM 408 CG1 VAL 57 26.609 30.032 21.682 1.00 0.00 ATOM 409 CG2 VAL 57 26.348 27.828 22.761 1.00 0.00 ATOM 410 O VAL 57 23.515 29.805 19.919 1.00 0.00 ATOM 411 C VAL 57 23.768 30.150 21.093 1.00 0.00 ATOM 412 N ASN 58 23.623 31.402 21.509 1.00 0.00 ATOM 413 CA ASN 58 23.186 32.460 20.626 1.00 0.00 ATOM 414 CB ASN 58 23.098 33.788 21.382 1.00 0.00 ATOM 415 CG ASN 58 21.959 33.815 22.380 1.00 0.00 ATOM 416 ND2 ASN 58 22.034 34.734 23.338 1.00 0.00 ATOM 417 OD1 ASN 58 21.022 33.021 22.291 1.00 0.00 ATOM 418 O ASN 58 25.345 32.813 19.603 1.00 0.00 ATOM 419 C ASN 58 24.121 32.688 19.436 1.00 0.00 ATOM 420 N VAL 59 23.573 32.705 18.226 1.00 0.00 ATOM 421 CA VAL 59 24.384 32.932 17.023 1.00 0.00 ATOM 422 CB VAL 59 23.935 32.027 15.860 1.00 0.00 ATOM 423 CG1 VAL 59 24.108 30.562 16.228 1.00 0.00 ATOM 424 CG2 VAL 59 22.470 32.271 15.531 1.00 0.00 ATOM 425 O VAL 59 24.764 34.655 15.420 1.00 0.00 ATOM 426 C VAL 59 24.310 34.371 16.504 1.00 0.00 ATOM 427 N LEU 60 23.745 35.296 17.259 1.00 0.00 ATOM 428 CA LEU 60 23.668 36.681 16.790 1.00 0.00 ATOM 429 CB LEU 60 22.938 37.555 17.812 1.00 0.00 ATOM 430 CG LEU 60 22.707 39.014 17.416 1.00 0.00 ATOM 431 CD1 LEU 60 21.762 39.105 16.228 1.00 0.00 ATOM 432 CD2 LEU 60 22.097 39.795 18.570 1.00 0.00 ATOM 433 O LEU 60 25.942 37.078 17.461 1.00 0.00 ATOM 434 C LEU 60 25.077 37.231 16.587 1.00 0.00 ATOM 435 N ASP 61 25.287 37.829 15.417 1.00 0.00 ATOM 436 CA ASP 61 26.561 38.426 15.061 1.00 0.00 ATOM 437 CB ASP 61 27.197 39.100 16.278 1.00 0.00 ATOM 438 CG ASP 61 26.313 40.178 16.874 1.00 0.00 ATOM 439 OD1 ASP 61 25.790 41.011 16.104 1.00 0.00 ATOM 440 OD2 ASP 61 26.142 40.189 18.112 1.00 0.00 ATOM 441 O ASP 61 28.661 37.917 14.098 1.00 0.00 ATOM 442 C ASP 61 27.586 37.485 14.540 1.00 0.00 ATOM 443 N GLU 62 27.276 36.188 14.556 1.00 0.00 ATOM 444 CA GLU 62 28.223 35.196 14.101 1.00 0.00 ATOM 445 CB GLU 62 27.914 33.833 14.723 1.00 0.00 ATOM 446 CG GLU 62 28.080 33.788 16.232 1.00 0.00 ATOM 447 CD GLU 62 27.799 32.414 16.809 1.00 0.00 ATOM 448 OE1 GLU 62 27.435 31.508 16.031 1.00 0.00 ATOM 449 OE2 GLU 62 27.942 32.246 18.039 1.00 0.00 ATOM 450 O GLU 62 27.094 34.931 11.966 1.00 0.00 ATOM 451 C GLU 62 28.176 35.047 12.586 1.00 0.00 ATOM 452 N PRO 63 29.372 34.998 12.014 1.00 0.00 ATOM 453 CA PRO 63 29.508 34.868 10.597 1.00 0.00 ATOM 454 CB PRO 63 30.894 35.443 10.303 1.00 0.00 ATOM 455 CG PRO 63 31.692 35.140 11.527 1.00 0.00 ATOM 456 CD PRO 63 30.752 35.303 12.687 1.00 0.00 ATOM 457 O PRO 63 29.378 32.494 10.988 1.00 0.00 ATOM 458 C PRO 63 29.409 33.406 10.165 1.00 0.00 ATOM 459 N TYR 64 29.330 33.190 8.876 1.00 0.00 ATOM 460 CA TYR 64 29.122 31.839 8.327 1.00 0.00 ATOM 461 CB TYR 64 29.390 31.827 6.821 1.00 0.00 ATOM 462 CG TYR 64 29.258 30.462 6.185 1.00 0.00 ATOM 463 CD1 TYR 64 28.009 29.950 5.853 1.00 0.00 ATOM 464 CD2 TYR 64 30.380 29.688 5.920 1.00 0.00 ATOM 465 CE1 TYR 64 27.877 28.702 5.274 1.00 0.00 ATOM 466 CE2 TYR 64 30.268 28.439 5.340 1.00 0.00 ATOM 467 CZ TYR 64 29.001 27.948 5.017 1.00 0.00 ATOM 468 OH TYR 64 28.874 26.707 4.439 1.00 0.00 ATOM 469 O TYR 64 29.564 29.743 9.356 1.00 0.00 ATOM 470 C TYR 64 30.005 30.797 8.922 1.00 0.00 ATOM 471 N GLU 65 31.313 31.055 8.904 1.00 0.00 ATOM 472 CA GLU 65 32.278 30.066 9.374 1.00 0.00 ATOM 473 CB GLU 65 33.707 30.559 9.138 1.00 0.00 ATOM 474 CG GLU 65 34.123 30.581 7.676 1.00 0.00 ATOM 475 CD GLU 65 35.508 31.163 7.474 1.00 0.00 ATOM 476 OE1 GLU 65 36.116 31.612 8.469 1.00 0.00 ATOM 477 OE2 GLU 65 35.988 31.169 6.320 1.00 0.00 ATOM 478 O GLU 65 32.458 28.680 11.282 1.00 0.00 ATOM 479 C GLU 65 32.140 29.772 10.851 1.00 0.00 ATOM 480 N LYS 66 31.734 30.771 11.638 1.00 0.00 ATOM 481 CA LYS 66 31.579 30.608 13.094 1.00 0.00 ATOM 482 CB LYS 66 31.384 31.967 13.767 1.00 0.00 ATOM 483 CG LYS 66 31.277 31.899 15.282 1.00 0.00 ATOM 484 CD LYS 66 31.177 33.288 15.892 1.00 0.00 ATOM 485 CE LYS 66 31.046 33.218 17.405 1.00 0.00 ATOM 486 NZ LYS 66 30.925 34.572 18.014 1.00 0.00 ATOM 487 O LYS 66 30.322 28.917 14.286 1.00 0.00 ATOM 488 C LYS 66 30.338 29.715 13.363 1.00 0.00 ATOM 489 N VAL 67 29.251 29.908 12.604 1.00 0.00 ATOM 490 CA VAL 67 28.071 29.037 12.766 1.00 0.00 ATOM 491 CB VAL 67 26.877 29.543 11.937 1.00 0.00 ATOM 492 CG1 VAL 67 25.740 28.534 11.969 1.00 0.00 ATOM 493 CG2 VAL 67 26.363 30.863 12.493 1.00 0.00 ATOM 494 O VAL 67 28.019 26.677 13.005 1.00 0.00 ATOM 495 C VAL 67 28.386 27.628 12.314 1.00 0.00 ATOM 496 N VAL 68 29.076 27.449 11.194 1.00 0.00 ATOM 497 CA VAL 68 29.499 26.100 10.745 1.00 0.00 ATOM 498 CB VAL 68 30.318 26.169 9.443 1.00 0.00 ATOM 499 CG1 VAL 68 30.907 24.806 9.111 1.00 0.00 ATOM 500 CG2 VAL 68 29.438 26.608 8.283 1.00 0.00 ATOM 501 O VAL 68 30.170 24.282 12.160 1.00 0.00 ATOM 502 C VAL 68 30.370 25.431 11.822 1.00 0.00 ATOM 503 N ASP 69 31.309 26.180 12.397 1.00 0.00 ATOM 504 CA ASP 69 32.170 25.634 13.452 1.00 0.00 ATOM 505 CB ASP 69 33.186 26.682 13.908 1.00 0.00 ATOM 506 CG ASP 69 34.278 26.922 12.884 1.00 0.00 ATOM 507 OD1 ASP 69 34.386 26.119 11.933 1.00 0.00 ATOM 508 OD2 ASP 69 35.024 27.913 13.031 1.00 0.00 ATOM 509 O ASP 69 31.661 24.137 15.258 1.00 0.00 ATOM 510 C ASP 69 31.382 25.202 14.671 1.00 0.00 ATOM 511 N ARG 70 30.418 26.036 15.082 1.00 0.00 ATOM 512 CA ARG 70 29.581 25.692 16.212 1.00 0.00 ATOM 513 CB ARG 70 28.553 26.794 16.472 1.00 0.00 ATOM 514 CG ARG 70 29.161 28.123 16.891 1.00 0.00 ATOM 515 CD ARG 70 29.804 28.028 18.265 1.00 0.00 ATOM 516 NE ARG 70 30.292 29.323 18.732 1.00 0.00 ATOM 517 CZ ARG 70 31.002 29.497 19.842 1.00 0.00 ATOM 518 NH1 ARG 70 31.403 30.714 20.189 1.00 0.00 ATOM 519 NH2 ARG 70 31.308 28.457 20.604 1.00 0.00 ATOM 520 O ARG 70 28.754 23.487 16.733 1.00 0.00 ATOM 521 C ARG 70 28.847 24.373 15.900 1.00 0.00 ATOM 522 N ILE 71 28.313 24.229 14.692 1.00 0.00 ATOM 523 CA ILE 71 27.607 22.977 14.321 1.00 0.00 ATOM 524 CB ILE 71 27.032 23.056 12.894 1.00 0.00 ATOM 525 CG1 ILE 71 25.899 24.084 12.832 1.00 0.00 ATOM 526 CG2 ILE 71 26.481 21.704 12.466 1.00 0.00 ATOM 527 CD1 ILE 71 25.456 24.419 11.425 1.00 0.00 ATOM 528 O ILE 71 28.263 20.746 14.972 1.00 0.00 ATOM 529 C ILE 71 28.555 21.780 14.374 1.00 0.00 ATOM 530 N GLN 72 29.766 21.965 13.846 1.00 0.00 ATOM 531 CA GLN 72 30.722 20.851 13.737 1.00 0.00 ATOM 532 CB GLN 72 31.946 21.272 12.923 1.00 0.00 ATOM 533 CG GLN 72 31.666 21.483 11.444 1.00 0.00 ATOM 534 CD GLN 72 32.885 21.960 10.681 1.00 0.00 ATOM 535 OE1 GLN 72 33.948 22.176 11.264 1.00 0.00 ATOM 536 NE2 GLN 72 32.736 22.125 9.372 1.00 0.00 ATOM 537 O GLN 72 31.387 19.211 15.356 1.00 0.00 ATOM 538 C GLN 72 31.183 20.422 15.120 1.00 0.00 ATOM 539 N SER 73 31.304 21.394 16.019 1.00 0.00 ATOM 540 CA SER 73 31.788 21.155 17.397 1.00 0.00 ATOM 541 CB SER 73 31.885 22.473 18.167 1.00 0.00 ATOM 542 OG SER 73 30.602 23.042 18.369 1.00 0.00 ATOM 543 O SER 73 31.358 19.644 19.206 1.00 0.00 ATOM 544 C SER 73 30.893 20.238 18.219 1.00 0.00 ATOM 545 N SER 74 29.618 20.136 17.840 1.00 0.00 ATOM 546 CA SER 74 28.692 19.200 18.486 1.00 0.00 ATOM 547 CB SER 74 27.242 19.595 18.196 1.00 0.00 ATOM 548 OG SER 74 26.929 20.849 18.772 1.00 0.00 ATOM 549 O SER 74 28.063 16.870 18.487 1.00 0.00 ATOM 550 C SER 74 28.824 17.740 18.049 1.00 0.00 ATOM 551 N GLY 75 29.751 17.436 17.162 1.00 0.00 ATOM 552 CA GLY 75 30.010 16.057 16.825 1.00 0.00 ATOM 553 O GLY 75 28.843 16.056 14.724 1.00 0.00 ATOM 554 C GLY 75 29.002 15.507 15.842 1.00 0.00 ATOM 555 N LYS 76 28.308 14.436 16.245 1.00 0.00 ATOM 556 CA LYS 76 27.393 13.766 15.354 1.00 0.00 ATOM 557 CB LYS 76 27.417 12.256 15.598 1.00 0.00 ATOM 558 CG LYS 76 28.754 11.599 15.299 1.00 0.00 ATOM 559 CD LYS 76 28.703 10.102 15.554 1.00 0.00 ATOM 560 CE LYS 76 30.056 9.454 15.310 1.00 0.00 ATOM 561 NZ LYS 76 30.012 7.979 15.513 1.00 0.00 ATOM 562 O LYS 76 25.087 13.723 14.857 1.00 0.00 ATOM 563 C LYS 76 25.949 14.232 15.532 1.00 0.00 ATOM 564 N ASN 77 25.713 15.173 16.429 1.00 0.00 ATOM 565 CA ASN 77 24.342 15.713 16.649 1.00 0.00 ATOM 566 CB ASN 77 23.793 15.245 17.999 1.00 0.00 ATOM 567 CG ASN 77 23.638 13.740 18.075 1.00 0.00 ATOM 568 ND2 ASN 77 24.511 13.096 18.844 1.00 0.00 ATOM 569 OD1 ASN 77 22.747 13.165 17.453 1.00 0.00 ATOM 570 O ASN 77 25.362 17.844 16.976 1.00 0.00 ATOM 571 C ASN 77 24.350 17.226 16.639 1.00 0.00 ATOM 572 N VAL 78 23.232 17.844 16.221 1.00 0.00 ATOM 573 CA VAL 78 23.082 19.287 16.383 1.00 0.00 ATOM 574 CB VAL 78 23.447 20.040 15.090 1.00 0.00 ATOM 575 CG1 VAL 78 23.190 21.531 15.252 1.00 0.00 ATOM 576 CG2 VAL 78 24.917 19.839 14.753 1.00 0.00 ATOM 577 O VAL 78 20.755 18.888 16.310 1.00 0.00 ATOM 578 C VAL 78 21.646 19.607 16.735 1.00 0.00 ATOM 579 N THR 79 21.458 20.720 17.446 1.00 0.00 ATOM 580 CA THR 79 20.136 21.243 17.808 1.00 0.00 ATOM 581 CB THR 79 19.910 21.203 19.331 1.00 0.00 ATOM 582 CG2 THR 79 18.524 21.721 19.678 1.00 0.00 ATOM 583 OG1 THR 79 20.033 19.854 19.800 1.00 0.00 ATOM 584 O THR 79 20.726 23.537 17.874 1.00 0.00 ATOM 585 C THR 79 20.075 22.679 17.321 1.00 0.00 ATOM 586 N LEU 80 19.319 22.945 16.253 1.00 0.00 ATOM 587 CA LEU 80 19.223 24.291 15.680 1.00 0.00 ATOM 588 CB LEU 80 19.269 24.226 14.151 1.00 0.00 ATOM 589 CG LEU 80 20.531 23.622 13.535 1.00 0.00 ATOM 590 CD1 LEU 80 20.414 23.562 12.020 1.00 0.00 ATOM 591 CD2 LEU 80 21.753 24.460 13.886 1.00 0.00 ATOM 592 O LEU 80 16.856 24.392 15.844 1.00 0.00 ATOM 593 C LEU 80 17.915 24.947 16.102 1.00 0.00 ATOM 594 N LEU 81 17.978 26.092 16.762 1.00 0.00 ATOM 595 CA LEU 81 16.794 26.918 17.018 1.00 0.00 ATOM 596 CB LEU 81 16.958 27.703 18.321 1.00 0.00 ATOM 597 CG LEU 81 15.805 28.634 18.702 1.00 0.00 ATOM 598 CD1 LEU 81 14.540 27.838 18.977 1.00 0.00 ATOM 599 CD2 LEU 81 16.147 29.429 19.953 1.00 0.00 ATOM 600 O LEU 81 17.635 28.582 15.532 1.00 0.00 ATOM 601 C LEU 81 16.680 27.856 15.838 1.00 0.00 ATOM 602 N VAL 82 15.536 27.795 15.162 1.00 0.00 ATOM 603 CA VAL 82 15.333 28.542 13.922 1.00 0.00 ATOM 604 CB VAL 82 15.197 27.600 12.710 1.00 0.00 ATOM 605 CG1 VAL 82 16.479 26.806 12.509 1.00 0.00 ATOM 606 CG2 VAL 82 14.053 26.621 12.923 1.00 0.00 ATOM 607 O VAL 82 13.094 29.077 14.631 1.00 0.00 ATOM 608 C VAL 82 14.080 29.397 13.949 1.00 0.00 ATOM 609 N CYS 83 14.104 30.445 13.165 1.00 0.00 ATOM 610 CA CYS 83 12.917 31.259 12.920 1.00 0.00 ATOM 611 CB CYS 83 13.098 32.660 13.511 1.00 0.00 ATOM 612 SG CYS 83 13.445 32.683 15.285 1.00 0.00 ATOM 613 O CYS 83 13.608 31.165 10.631 1.00 0.00 ATOM 614 C CYS 83 12.688 31.379 11.421 1.00 0.00 ATOM 615 N GLY 84 11.511 31.849 11.018 1.00 0.00 ATOM 616 CA GLY 84 11.167 31.930 9.641 1.00 0.00 ATOM 617 O GLY 84 10.365 33.482 8.042 1.00 0.00 ATOM 618 C GLY 84 10.782 33.318 9.171 1.00 0.00 ATOM 619 N LYS 85 11.032 34.341 9.979 1.00 0.00 ATOM 620 CA LYS 85 10.714 35.723 9.596 1.00 0.00 ATOM 621 CB LYS 85 9.268 36.062 9.966 1.00 0.00 ATOM 622 CG LYS 85 8.994 36.064 11.461 1.00 0.00 ATOM 623 CD LYS 85 7.539 36.391 11.755 1.00 0.00 ATOM 624 CE LYS 85 7.256 36.358 13.248 1.00 0.00 ATOM 625 NZ LYS 85 5.856 36.760 13.557 1.00 0.00 ATOM 626 O LYS 85 12.334 36.226 11.231 1.00 0.00 ATOM 627 C LYS 85 11.636 36.651 10.318 1.00 0.00 ATOM 628 N LYS 86 11.606 37.953 9.982 1.00 0.00 ATOM 629 CA LYS 86 12.441 38.908 10.725 1.00 0.00 ATOM 630 CB LYS 86 12.392 40.288 10.068 1.00 0.00 ATOM 631 CG LYS 86 13.041 40.345 8.694 1.00 0.00 ATOM 632 CD LYS 86 12.986 41.750 8.115 1.00 0.00 ATOM 633 CE LYS 86 13.637 41.807 6.742 1.00 0.00 ATOM 634 NZ LYS 86 13.600 43.179 6.168 1.00 0.00 ATOM 635 O LYS 86 10.758 38.848 12.443 1.00 0.00 ATOM 636 C LYS 86 11.928 39.019 12.151 1.00 0.00 ATOM 637 N ALA 87 12.878 39.214 13.047 1.00 0.00 ATOM 638 CA ALA 87 12.603 39.311 14.458 1.00 0.00 ATOM 639 CB ALA 87 13.311 38.197 15.214 1.00 0.00 ATOM 640 O ALA 87 12.829 40.878 16.204 1.00 0.00 ATOM 641 C ALA 87 13.071 40.629 15.038 1.00 0.00 ATOM 642 N GLN 88 13.741 41.472 14.270 1.00 0.00 ATOM 643 CA GLN 88 14.164 42.788 14.795 1.00 0.00 ATOM 644 CB GLN 88 15.569 42.699 15.395 1.00 0.00 ATOM 645 CG GLN 88 16.052 43.988 16.037 1.00 0.00 ATOM 646 CD GLN 88 17.418 43.842 16.679 1.00 0.00 ATOM 647 OE1 GLN 88 18.030 42.777 16.625 1.00 0.00 ATOM 648 NE2 GLN 88 17.901 44.918 17.292 1.00 0.00 ATOM 649 O GLN 88 14.627 43.518 12.558 1.00 0.00 ATOM 650 C GLN 88 14.171 43.799 13.663 1.00 0.00 ATOM 651 N ASP 89 13.739 45.023 13.966 1.00 0.00 ATOM 652 CA ASP 89 13.705 46.103 12.991 1.00 0.00 ATOM 653 CB ASP 89 12.320 46.204 12.350 1.00 0.00 ATOM 654 CG ASP 89 12.001 45.015 11.463 1.00 0.00 ATOM 655 OD1 ASP 89 12.634 44.884 10.395 1.00 0.00 ATOM 656 OD2 ASP 89 11.118 44.214 11.839 1.00 0.00 ATOM 657 O ASP 89 13.530 47.663 14.757 1.00 0.00 ATOM 658 C ASP 89 14.023 47.405 13.669 1.00 0.00 ATOM 659 N THR 90 14.847 48.208 13.017 1.00 0.00 ATOM 660 CA THR 90 15.146 49.570 13.454 1.00 0.00 ATOM 661 CB THR 90 16.567 49.997 13.040 1.00 0.00 ATOM 662 CG2 THR 90 16.845 51.425 13.482 1.00 0.00 ATOM 663 OG1 THR 90 17.528 49.127 13.653 1.00 0.00 ATOM 664 O THR 90 13.931 50.485 11.591 1.00 0.00 ATOM 665 C THR 90 14.149 50.513 12.818 1.00 0.00 ATOM 666 N VAL 91 13.595 51.421 13.632 1.00 0.00 ATOM 667 CA VAL 91 12.548 52.344 13.202 1.00 0.00 ATOM 668 CB VAL 91 11.188 51.987 13.828 1.00 0.00 ATOM 669 CG1 VAL 91 10.633 50.714 13.208 1.00 0.00 ATOM 670 CG2 VAL 91 11.332 51.768 15.327 1.00 0.00 ATOM 671 O VAL 91 13.771 54.003 14.464 1.00 0.00 ATOM 672 C VAL 91 12.890 53.803 13.617 1.00 0.00 TER END