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 3 Mon May 5 19:36:27 2008 MODEL 3 PARENT N/A ATOM 2 N MET 2 4.308 31.800 16.445 1.00 0.00 ATOM 3 CA MET 2 5.427 32.652 16.095 1.00 0.00 ATOM 4 CB MET 2 4.999 34.121 16.078 1.00 0.00 ATOM 5 CG MET 2 3.996 34.462 14.990 1.00 0.00 ATOM 6 SD MET 2 4.648 34.186 13.332 1.00 0.00 ATOM 7 CE MET 2 5.868 35.492 13.225 1.00 0.00 ATOM 8 O MET 2 7.307 33.436 17.289 1.00 0.00 ATOM 9 C MET 2 6.563 32.510 17.085 1.00 0.00 ATOM 10 N LYS 3 6.678 31.319 17.665 1.00 0.00 ATOM 11 CA LYS 3 7.836 30.952 18.524 1.00 0.00 ATOM 12 CB LYS 3 7.405 29.969 19.614 1.00 0.00 ATOM 13 CG LYS 3 6.450 30.561 20.640 1.00 0.00 ATOM 14 CD LYS 3 6.034 29.524 21.669 1.00 0.00 ATOM 15 CE LYS 3 5.048 30.102 22.669 1.00 0.00 ATOM 16 NZ LYS 3 4.628 29.096 23.683 1.00 0.00 ATOM 17 O LYS 3 8.620 29.478 16.770 1.00 0.00 ATOM 18 C LYS 3 8.919 30.295 17.653 1.00 0.00 ATOM 19 N PRO 4 10.183 30.618 17.890 1.00 0.00 ATOM 20 CA PRO 4 11.230 29.820 17.250 1.00 0.00 ATOM 21 CB PRO 4 12.531 30.392 17.819 1.00 0.00 ATOM 22 CG PRO 4 12.176 31.779 18.237 1.00 0.00 ATOM 23 CD PRO 4 10.766 31.712 18.756 1.00 0.00 ATOM 24 O PRO 4 10.644 27.948 18.645 1.00 0.00 ATOM 25 C PRO 4 11.099 28.326 17.577 1.00 0.00 ATOM 26 N LYS 5 11.526 27.476 16.644 1.00 0.00 ATOM 27 CA LYS 5 11.380 26.045 16.750 1.00 0.00 ATOM 28 CB LYS 5 10.709 25.480 15.495 1.00 0.00 ATOM 29 CG LYS 5 9.268 25.926 15.309 1.00 0.00 ATOM 30 CD LYS 5 8.660 25.320 14.054 1.00 0.00 ATOM 31 CE LYS 5 7.234 25.803 13.844 1.00 0.00 ATOM 32 NZ LYS 5 6.633 25.234 12.605 1.00 0.00 ATOM 33 O LYS 5 13.672 25.710 16.164 1.00 0.00 ATOM 34 C LYS 5 12.743 25.398 16.905 1.00 0.00 ATOM 35 N LEU 6 12.815 24.463 17.847 1.00 0.00 ATOM 36 CA LEU 6 14.040 23.718 18.113 1.00 0.00 ATOM 37 CB LEU 6 14.110 23.307 19.585 1.00 0.00 ATOM 38 CG LEU 6 14.122 24.446 20.607 1.00 0.00 ATOM 39 CD1 LEU 6 14.081 23.897 22.025 1.00 0.00 ATOM 40 CD2 LEU 6 15.381 25.287 20.458 1.00 0.00 ATOM 41 O LEU 6 13.088 21.667 17.328 1.00 0.00 ATOM 42 C LEU 6 13.998 22.476 17.210 1.00 0.00 ATOM 43 N CYS 7 15.028 22.318 16.397 1.00 0.00 ATOM 44 CA CYS 7 15.133 21.200 15.486 1.00 0.00 ATOM 45 CB CYS 7 15.378 21.695 14.060 1.00 0.00 ATOM 46 SG CYS 7 14.036 22.694 13.374 1.00 0.00 ATOM 47 O CYS 7 17.484 20.839 16.032 1.00 0.00 ATOM 48 C CYS 7 16.327 20.362 15.991 1.00 0.00 ATOM 49 N ARG 8 16.049 19.111 16.360 1.00 0.00 ATOM 50 CA ARG 8 17.069 18.232 16.890 1.00 0.00 ATOM 51 CB ARG 8 16.530 17.445 18.085 1.00 0.00 ATOM 52 CG ARG 8 16.138 18.309 19.272 1.00 0.00 ATOM 53 CD ARG 8 15.523 17.475 20.385 1.00 0.00 ATOM 54 NE ARG 8 15.099 18.298 21.515 1.00 0.00 ATOM 55 CZ ARG 8 14.571 17.814 22.634 1.00 0.00 ATOM 56 NH1 ARG 8 14.214 18.639 23.610 1.00 0.00 ATOM 57 NH2 ARG 8 14.402 16.507 22.777 1.00 0.00 ATOM 58 O ARG 8 16.663 16.400 15.375 1.00 0.00 ATOM 59 C ARG 8 17.451 17.289 15.758 1.00 0.00 ATOM 60 N LEU 9 18.645 17.485 15.191 1.00 0.00 ATOM 61 CA LEU 9 19.110 16.645 14.085 1.00 0.00 ATOM 62 CB LEU 9 19.868 17.486 13.056 1.00 0.00 ATOM 63 CG LEU 9 19.078 18.610 12.382 1.00 0.00 ATOM 64 CD1 LEU 9 19.971 19.408 11.445 1.00 0.00 ATOM 65 CD2 LEU 9 17.922 18.043 11.571 1.00 0.00 ATOM 66 O LEU 9 20.966 15.832 15.386 1.00 0.00 ATOM 67 C LEU 9 20.046 15.552 14.613 1.00 0.00 ATOM 68 N ALA 10 19.780 14.333 14.188 1.00 0.00 ATOM 69 CA ALA 10 20.604 13.202 14.472 1.00 0.00 ATOM 70 CB ALA 10 19.747 11.991 14.806 1.00 0.00 ATOM 71 O ALA 10 20.922 12.588 12.176 1.00 0.00 ATOM 72 C ALA 10 21.452 12.906 13.236 1.00 0.00 ATOM 73 N LYS 11 22.766 13.022 13.349 1.00 0.00 ATOM 74 CA LYS 11 23.642 12.948 12.202 1.00 0.00 ATOM 75 CB LYS 11 25.092 13.208 12.616 1.00 0.00 ATOM 76 CG LYS 11 26.074 13.228 11.456 1.00 0.00 ATOM 77 CD LYS 11 27.481 13.558 11.929 1.00 0.00 ATOM 78 CE LYS 11 28.458 13.604 10.767 1.00 0.00 ATOM 79 NZ LYS 11 29.845 13.899 11.220 1.00 0.00 ATOM 80 O LYS 11 23.525 10.534 12.214 1.00 0.00 ATOM 81 C LYS 11 23.578 11.572 11.547 1.00 0.00 ATOM 82 N GLY 12 23.611 11.588 10.234 1.00 0.00 ATOM 83 CA GLY 12 23.665 10.402 9.421 1.00 0.00 ATOM 84 O GLY 12 25.970 10.925 9.046 1.00 0.00 ATOM 85 C GLY 12 25.021 10.192 8.796 1.00 0.00 ATOM 86 N GLU 13 25.147 9.129 8.002 1.00 0.00 ATOM 87 CA GLU 13 26.443 8.818 7.410 1.00 0.00 ATOM 88 CB GLU 13 26.390 7.473 6.681 1.00 0.00 ATOM 89 CG GLU 13 26.259 6.272 7.604 1.00 0.00 ATOM 90 CD GLU 13 26.139 4.965 6.846 1.00 0.00 ATOM 91 OE1 GLU 13 26.115 5.003 5.598 1.00 0.00 ATOM 92 OE2 GLU 13 26.066 3.904 7.500 1.00 0.00 ATOM 93 O GLU 13 28.153 9.875 6.073 1.00 0.00 ATOM 94 C GLU 13 26.949 9.842 6.378 1.00 0.00 ATOM 95 N ASN 14 26.050 10.641 5.806 1.00 0.00 ATOM 96 CA ASN 14 26.458 11.743 4.901 1.00 0.00 ATOM 97 CB ASN 14 25.668 11.681 3.593 1.00 0.00 ATOM 98 CG ASN 14 25.980 10.439 2.782 1.00 0.00 ATOM 99 ND2 ASN 14 24.996 9.556 2.654 1.00 0.00 ATOM 100 OD1 ASN 14 27.091 10.276 2.278 1.00 0.00 ATOM 101 O ASN 14 26.058 14.107 4.861 1.00 0.00 ATOM 102 C ASN 14 26.211 13.094 5.531 1.00 0.00 ATOM 103 N GLY 15 26.178 13.131 6.839 1.00 0.00 ATOM 104 CA GLY 15 25.939 14.374 7.542 1.00 0.00 ATOM 105 O GLY 15 23.731 13.689 8.153 1.00 0.00 ATOM 106 C GLY 15 24.476 14.607 7.847 1.00 0.00 ATOM 107 N TYR 16 24.067 15.861 7.757 1.00 0.00 ATOM 108 CA TYR 16 22.720 16.265 8.109 1.00 0.00 ATOM 109 CB TYR 16 22.738 17.600 8.856 1.00 0.00 ATOM 110 CG TYR 16 23.508 17.564 10.157 1.00 0.00 ATOM 111 CD1 TYR 16 24.795 18.079 10.236 1.00 0.00 ATOM 112 CD2 TYR 16 22.944 17.015 11.301 1.00 0.00 ATOM 113 CE1 TYR 16 25.506 18.049 11.421 1.00 0.00 ATOM 114 CE2 TYR 16 23.639 16.977 12.494 1.00 0.00 ATOM 115 CZ TYR 16 24.930 17.501 12.547 1.00 0.00 ATOM 116 OH TYR 16 25.636 17.471 13.728 1.00 0.00 ATOM 117 O TYR 16 20.595 16.294 7.064 1.00 0.00 ATOM 118 C TYR 16 21.791 16.451 6.915 1.00 0.00 ATOM 119 N GLY 17 22.342 16.779 5.754 1.00 0.00 ATOM 120 CA GLY 17 21.541 16.949 4.536 1.00 0.00 ATOM 121 O GLY 17 19.697 18.364 3.981 1.00 0.00 ATOM 122 C GLY 17 20.846 18.296 4.407 1.00 0.00 ATOM 123 N PHE 18 21.560 19.363 4.724 1.00 0.00 ATOM 124 CA PHE 18 21.079 20.707 4.418 1.00 0.00 ATOM 125 CB PHE 18 20.416 21.330 5.648 1.00 0.00 ATOM 126 CG PHE 18 21.360 21.559 6.794 1.00 0.00 ATOM 127 CD1 PHE 18 22.029 22.762 6.929 1.00 0.00 ATOM 128 CD2 PHE 18 21.576 20.571 7.739 1.00 0.00 ATOM 129 CE1 PHE 18 22.897 22.973 7.983 1.00 0.00 ATOM 130 CE2 PHE 18 22.443 20.781 8.794 1.00 0.00 ATOM 131 CZ PHE 18 23.103 21.976 8.918 1.00 0.00 ATOM 132 O PHE 18 23.364 21.267 4.260 1.00 0.00 ATOM 133 C PHE 18 22.203 21.590 3.996 1.00 0.00 ATOM 134 N HIS 19 21.840 22.719 3.360 1.00 0.00 ATOM 135 CA HIS 19 22.823 23.728 2.903 1.00 0.00 ATOM 136 CB HIS 19 22.634 24.024 1.415 1.00 0.00 ATOM 137 CG HIS 19 23.599 25.032 0.872 1.00 0.00 ATOM 138 CD2 HIS 19 23.525 26.433 0.479 1.00 0.00 ATOM 139 ND1 HIS 19 24.922 24.739 0.622 1.00 0.00 ATOM 140 CE1 HIS 19 25.531 25.839 0.143 1.00 0.00 ATOM 141 NE2 HIS 19 24.699 26.858 0.055 1.00 0.00 ATOM 142 O HIS 19 21.481 25.475 3.773 1.00 0.00 ATOM 143 C HIS 19 22.597 24.994 3.713 1.00 0.00 ATOM 144 N LEU 20 23.665 25.452 4.376 1.00 0.00 ATOM 145 CA LEU 20 23.654 26.658 5.169 1.00 0.00 ATOM 146 CB LEU 20 24.515 26.485 6.421 1.00 0.00 ATOM 147 CG LEU 20 24.628 27.701 7.341 1.00 0.00 ATOM 148 CD1 LEU 20 23.284 28.015 7.984 1.00 0.00 ATOM 149 CD2 LEU 20 25.636 27.445 8.452 1.00 0.00 ATOM 150 O LEU 20 25.295 27.647 3.783 1.00 0.00 ATOM 151 C LEU 20 24.211 27.799 4.328 1.00 0.00 ATOM 152 N ASN 21 23.504 28.935 4.291 1.00 0.00 ATOM 153 CA ASN 21 23.846 30.029 3.389 1.00 0.00 ATOM 154 CB ASN 21 22.836 30.113 2.241 1.00 0.00 ATOM 155 CG ASN 21 23.200 31.174 1.222 1.00 0.00 ATOM 156 ND2 ASN 21 23.660 30.739 0.055 1.00 0.00 ATOM 157 OD1 ASN 21 23.068 32.370 1.483 1.00 0.00 ATOM 158 O ASN 21 22.936 31.687 4.847 1.00 0.00 ATOM 159 C ASN 21 23.853 31.389 4.092 1.00 0.00 ATOM 160 N ALA 22 24.865 32.210 3.796 1.00 0.00 ATOM 161 CA ALA 22 24.809 33.663 4.100 1.00 0.00 ATOM 162 CB ALA 22 26.208 34.261 4.085 1.00 0.00 ATOM 163 O ALA 22 23.779 33.876 1.897 1.00 0.00 ATOM 164 C ALA 22 23.949 34.383 3.046 1.00 0.00 ATOM 165 N ILE 23 23.359 35.512 3.411 1.00 0.00 ATOM 166 CA ILE 23 22.591 36.330 2.487 1.00 0.00 ATOM 167 CB ILE 23 21.248 36.768 3.104 1.00 0.00 ATOM 168 CG1 ILE 23 20.411 35.545 3.482 1.00 0.00 ATOM 169 CG2 ILE 23 20.455 37.607 2.113 1.00 0.00 ATOM 170 CD1 ILE 23 20.052 34.662 2.306 1.00 0.00 ATOM 171 O ILE 23 24.094 38.145 2.867 1.00 0.00 ATOM 172 C ILE 23 23.346 37.617 2.084 1.00 0.00 ATOM 173 N ARG 24 23.151 38.098 0.853 1.00 0.00 ATOM 174 CA ARG 24 23.877 39.288 0.373 1.00 0.00 ATOM 175 CB ARG 24 23.965 39.282 -1.155 1.00 0.00 ATOM 176 CG ARG 24 24.823 38.163 -1.721 1.00 0.00 ATOM 177 CD ARG 24 24.818 38.181 -3.241 1.00 0.00 ATOM 178 NE ARG 24 25.589 37.073 -3.802 1.00 0.00 ATOM 179 CZ ARG 24 25.655 36.792 -5.099 1.00 0.00 ATOM 180 NH1 ARG 24 26.381 35.765 -5.520 1.00 0.00 ATOM 181 NH2 ARG 24 24.994 37.537 -5.975 1.00 0.00 ATOM 182 O ARG 24 23.737 41.674 0.491 1.00 0.00 ATOM 183 C ARG 24 23.202 40.591 0.783 1.00 0.00 ATOM 184 N GLY 25 22.058 40.508 1.473 1.00 0.00 ATOM 185 CA GLY 25 21.215 41.682 1.786 1.00 0.00 ATOM 186 O GLY 25 20.410 42.873 3.689 1.00 0.00 ATOM 187 C GLY 25 20.771 41.791 3.240 1.00 0.00 ATOM 188 N LEU 26 20.760 40.671 3.950 1.00 0.00 ATOM 189 CA LEU 26 20.326 40.575 5.332 1.00 0.00 ATOM 190 CB LEU 26 19.034 39.760 5.432 1.00 0.00 ATOM 191 CG LEU 26 17.810 40.342 4.724 1.00 0.00 ATOM 192 CD1 LEU 26 16.654 39.351 4.747 1.00 0.00 ATOM 193 CD2 LEU 26 17.351 41.622 5.405 1.00 0.00 ATOM 194 O LEU 26 22.090 38.993 5.564 1.00 0.00 ATOM 195 C LEU 26 21.444 39.883 6.107 1.00 0.00 ATOM 196 N PRO 27 21.696 40.304 7.354 1.00 0.00 ATOM 197 CA PRO 27 22.603 39.515 8.170 1.00 0.00 ATOM 198 CB PRO 27 22.870 40.401 9.388 1.00 0.00 ATOM 199 CG PRO 27 21.653 41.258 9.500 1.00 0.00 ATOM 200 CD PRO 27 21.200 41.525 8.092 1.00 0.00 ATOM 201 O PRO 27 20.698 38.105 8.547 1.00 0.00 ATOM 202 C PRO 27 21.933 38.199 8.552 1.00 0.00 ATOM 203 N GLY 28 22.759 37.194 8.814 1.00 0.00 ATOM 204 CA GLY 28 22.311 35.925 9.349 1.00 0.00 ATOM 205 O GLY 28 23.150 34.892 7.324 1.00 0.00 ATOM 206 C GLY 28 22.709 34.744 8.475 1.00 0.00 ATOM 207 N SER 29 22.504 33.553 9.031 1.00 0.00 ATOM 208 CA SER 29 22.699 32.322 8.317 1.00 0.00 ATOM 209 CB SER 29 23.597 31.376 9.118 1.00 0.00 ATOM 210 OG SER 29 24.912 31.893 9.229 1.00 0.00 ATOM 211 O SER 29 20.502 31.649 9.045 1.00 0.00 ATOM 212 C SER 29 21.322 31.698 8.118 1.00 0.00 ATOM 213 N PHE 30 21.110 31.137 6.943 1.00 0.00 ATOM 214 CA PHE 30 19.816 30.612 6.538 1.00 0.00 ATOM 215 CB PHE 30 19.180 31.513 5.479 1.00 0.00 ATOM 216 CG PHE 30 18.908 32.911 5.956 1.00 0.00 ATOM 217 CD1 PHE 30 19.837 33.918 5.759 1.00 0.00 ATOM 218 CD2 PHE 30 17.723 33.220 6.601 1.00 0.00 ATOM 219 CE1 PHE 30 19.586 35.204 6.198 1.00 0.00 ATOM 220 CE2 PHE 30 17.472 34.506 7.039 1.00 0.00 ATOM 221 CZ PHE 30 18.399 35.497 6.841 1.00 0.00 ATOM 222 O PHE 30 20.984 28.846 5.439 1.00 0.00 ATOM 223 C PHE 30 19.940 29.225 5.956 1.00 0.00 ATOM 224 N ILE 31 18.853 28.478 6.058 1.00 0.00 ATOM 225 CA ILE 31 18.754 27.176 5.426 1.00 0.00 ATOM 226 CB ILE 31 17.697 26.293 6.116 1.00 0.00 ATOM 227 CG1 ILE 31 18.075 26.052 7.578 1.00 0.00 ATOM 228 CG2 ILE 31 17.590 24.946 5.417 1.00 0.00 ATOM 229 CD1 ILE 31 16.986 25.385 8.388 1.00 0.00 ATOM 230 O ILE 31 17.236 27.777 3.652 1.00 0.00 ATOM 231 C ILE 31 18.357 27.368 3.955 1.00 0.00 ATOM 232 N LYS 32 19.289 27.153 3.042 1.00 0.00 ATOM 233 CA LYS 32 18.927 27.308 1.604 1.00 0.00 ATOM 234 CB LYS 32 20.186 27.409 0.741 1.00 0.00 ATOM 235 CG LYS 32 19.910 27.643 -0.735 1.00 0.00 ATOM 236 CD LYS 32 21.196 27.905 -1.502 1.00 0.00 ATOM 237 CE LYS 32 20.920 28.145 -2.977 1.00 0.00 ATOM 238 NZ LYS 32 22.166 28.453 -3.732 1.00 0.00 ATOM 239 O LYS 32 17.215 26.347 0.223 1.00 0.00 ATOM 240 C LYS 32 18.110 26.143 1.070 1.00 0.00 ATOM 241 N GLU 33 18.457 24.919 1.493 1.00 0.00 ATOM 242 CA GLU 33 17.752 23.739 1.069 1.00 0.00 ATOM 243 CB GLU 33 18.290 23.247 -0.276 1.00 0.00 ATOM 244 CG GLU 33 19.740 22.794 -0.235 1.00 0.00 ATOM 245 CD GLU 33 20.263 22.393 -1.600 1.00 0.00 ATOM 246 OE1 GLU 33 19.492 22.474 -2.580 1.00 0.00 ATOM 247 OE2 GLU 33 21.444 21.997 -1.691 1.00 0.00 ATOM 248 O GLU 33 18.848 22.666 2.862 1.00 0.00 ATOM 249 C GLU 33 17.915 22.629 2.083 1.00 0.00 ATOM 250 N VAL 34 17.015 21.653 2.002 1.00 0.00 ATOM 251 CA VAL 34 16.936 20.515 2.883 1.00 0.00 ATOM 252 CB VAL 34 15.746 20.633 3.854 1.00 0.00 ATOM 253 CG1 VAL 34 15.669 19.409 4.754 1.00 0.00 ATOM 254 CG2 VAL 34 15.896 21.866 4.732 1.00 0.00 ATOM 255 O VAL 34 15.812 19.270 1.233 1.00 0.00 ATOM 256 C VAL 34 16.766 19.331 1.999 1.00 0.00 ATOM 257 N GLN 35 17.681 18.385 2.058 1.00 0.00 ATOM 258 CA GLN 35 17.575 17.202 1.202 1.00 0.00 ATOM 259 CB GLN 35 18.835 16.341 1.319 1.00 0.00 ATOM 260 CG GLN 35 18.825 15.103 0.438 1.00 0.00 ATOM 261 CD GLN 35 20.139 14.346 0.480 1.00 0.00 ATOM 262 OE1 GLN 35 21.095 14.781 1.122 1.00 0.00 ATOM 263 NE2 GLN 35 20.187 13.209 -0.204 1.00 0.00 ATOM 264 O GLN 35 16.130 16.131 2.831 1.00 0.00 ATOM 265 C GLN 35 16.363 16.370 1.629 1.00 0.00 ATOM 266 N LYS 36 15.597 15.847 0.634 1.00 0.00 ATOM 267 CA LYS 36 14.511 15.009 1.011 1.00 0.00 ATOM 268 CB LYS 36 13.768 14.504 -0.228 1.00 0.00 ATOM 269 CG LYS 36 12.541 13.663 0.084 1.00 0.00 ATOM 270 CD LYS 36 11.816 13.252 -1.187 1.00 0.00 ATOM 271 CE LYS 36 10.574 12.433 -0.875 1.00 0.00 ATOM 272 NZ LYS 36 9.869 12.001 -2.111 1.00 0.00 ATOM 273 O LYS 36 16.008 13.204 1.470 1.00 0.00 ATOM 274 C LYS 36 14.957 13.797 1.792 1.00 0.00 ATOM 275 N GLY 37 14.194 13.454 2.820 1.00 0.00 ATOM 276 CA GLY 37 14.434 12.254 3.581 1.00 0.00 ATOM 277 O GLY 37 16.208 11.231 4.773 1.00 0.00 ATOM 278 C GLY 37 15.709 12.268 4.407 1.00 0.00 ATOM 279 N GLY 38 16.246 13.450 4.669 1.00 0.00 ATOM 280 CA GLY 38 17.495 13.625 5.438 1.00 0.00 ATOM 281 O GLY 38 16.109 13.969 7.344 1.00 0.00 ATOM 282 C GLY 38 17.222 13.744 6.934 1.00 0.00 ATOM 283 N PRO 39 18.273 13.649 7.758 1.00 0.00 ATOM 284 CA PRO 39 18.148 13.993 9.153 1.00 0.00 ATOM 285 CB PRO 39 19.575 13.873 9.693 1.00 0.00 ATOM 286 CG PRO 39 20.214 12.833 8.834 1.00 0.00 ATOM 287 CD PRO 39 19.707 13.076 7.440 1.00 0.00 ATOM 288 O PRO 39 16.757 15.656 10.209 1.00 0.00 ATOM 289 C PRO 39 17.603 15.413 9.333 1.00 0.00 ATOM 290 N ALA 40 18.056 16.333 8.487 1.00 0.00 ATOM 291 CA ALA 40 17.524 17.717 8.553 1.00 0.00 ATOM 292 CB ALA 40 18.140 18.575 7.459 1.00 0.00 ATOM 293 O ALA 40 15.285 18.427 9.096 1.00 0.00 ATOM 294 C ALA 40 16.004 17.757 8.375 1.00 0.00 ATOM 295 N ASP 41 15.521 17.082 7.342 1.00 0.00 ATOM 296 CA ASP 41 14.084 17.069 7.091 1.00 0.00 ATOM 297 CB ASP 41 13.758 16.192 5.881 1.00 0.00 ATOM 298 CG ASP 41 12.291 16.244 5.500 1.00 0.00 ATOM 299 OD1 ASP 41 11.806 17.340 5.151 1.00 0.00 ATOM 300 OD2 ASP 41 11.627 15.187 5.554 1.00 0.00 ATOM 301 O ASP 41 12.269 17.088 8.662 1.00 0.00 ATOM 302 C ASP 41 13.317 16.523 8.285 1.00 0.00 ATOM 303 N LEU 42 13.800 15.418 8.864 1.00 0.00 ATOM 304 CA LEU 42 13.091 14.778 9.964 1.00 0.00 ATOM 305 CB LEU 42 13.778 13.469 10.356 1.00 0.00 ATOM 306 CG LEU 42 13.713 12.336 9.329 1.00 0.00 ATOM 307 CD1 LEU 42 14.562 11.156 9.775 1.00 0.00 ATOM 308 CD2 LEU 42 12.281 11.853 9.152 1.00 0.00 ATOM 309 O LEU 42 12.161 15.511 12.078 1.00 0.00 ATOM 310 C LEU 42 13.036 15.664 11.226 1.00 0.00 ATOM 311 N ALA 43 14.010 16.555 11.356 1.00 0.00 ATOM 312 CA ALA 43 14.089 17.425 12.512 1.00 0.00 ATOM 313 CB ALA 43 15.471 18.051 12.611 1.00 0.00 ATOM 314 O ALA 43 12.913 19.213 13.540 1.00 0.00 ATOM 315 C ALA 43 13.101 18.562 12.499 1.00 0.00 ATOM 316 N GLY 44 12.501 18.833 11.340 1.00 0.00 ATOM 317 CA GLY 44 11.610 19.990 11.193 1.00 0.00 ATOM 318 O GLY 44 11.505 22.220 10.308 1.00 0.00 ATOM 319 C GLY 44 12.199 21.218 10.504 1.00 0.00 ATOM 320 N LEU 45 13.453 21.136 10.075 1.00 0.00 ATOM 321 CA LEU 45 14.083 22.228 9.340 1.00 0.00 ATOM 322 CB LEU 45 15.578 21.959 9.158 1.00 0.00 ATOM 323 CG LEU 45 16.419 21.905 10.436 1.00 0.00 ATOM 324 CD1 LEU 45 17.854 21.513 10.121 1.00 0.00 ATOM 325 CD2 LEU 45 16.436 23.262 11.125 1.00 0.00 ATOM 326 O LEU 45 13.087 21.392 7.333 1.00 0.00 ATOM 327 C LEU 45 13.456 22.387 7.961 1.00 0.00 ATOM 328 N GLU 46 13.390 23.630 7.489 1.00 0.00 ATOM 329 CA GLU 46 12.823 23.992 6.199 1.00 0.00 ATOM 330 CB GLU 46 11.415 24.563 6.374 1.00 0.00 ATOM 331 CG GLU 46 10.413 23.576 6.952 1.00 0.00 ATOM 332 CD GLU 46 9.025 24.170 7.093 1.00 0.00 ATOM 333 OE1 GLU 46 8.856 25.368 6.781 1.00 0.00 ATOM 334 OE2 GLU 46 8.106 23.437 7.516 1.00 0.00 ATOM 335 O GLU 46 14.264 25.873 6.143 1.00 0.00 ATOM 336 C GLU 46 13.665 25.036 5.502 1.00 0.00 ATOM 337 N ASP 47 13.678 24.996 4.177 1.00 0.00 ATOM 338 CA ASP 47 14.312 26.006 3.364 1.00 0.00 ATOM 339 CB ASP 47 14.003 25.776 1.884 1.00 0.00 ATOM 340 CG ASP 47 14.720 24.566 1.320 1.00 0.00 ATOM 341 OD1 ASP 47 15.604 24.021 2.014 1.00 0.00 ATOM 342 OD2 ASP 47 14.398 24.161 0.183 1.00 0.00 ATOM 343 O ASP 47 12.572 27.506 4.063 1.00 0.00 ATOM 344 C ASP 47 13.776 27.380 3.794 1.00 0.00 ATOM 345 N GLU 48 14.684 28.358 3.852 1.00 0.00 ATOM 346 CA GLU 48 14.411 29.741 4.213 1.00 0.00 ATOM 347 CB GLU 48 13.081 30.199 3.611 1.00 0.00 ATOM 348 CG GLU 48 13.062 30.218 2.090 1.00 0.00 ATOM 349 CD GLU 48 11.714 30.630 1.530 1.00 0.00 ATOM 350 OE1 GLU 48 10.702 29.998 1.895 1.00 0.00 ATOM 351 OE2 GLU 48 11.672 31.585 0.726 1.00 0.00 ATOM 352 O GLU 48 14.210 31.161 6.113 1.00 0.00 ATOM 353 C GLU 48 14.312 29.999 5.706 1.00 0.00 ATOM 354 N ASP 49 14.453 28.957 6.531 1.00 0.00 ATOM 355 CA ASP 49 14.623 29.158 7.969 1.00 0.00 ATOM 356 CB ASP 49 14.733 27.812 8.691 1.00 0.00 ATOM 357 CG ASP 49 13.407 27.081 8.764 1.00 0.00 ATOM 358 OD1 ASP 49 12.370 27.694 8.435 1.00 0.00 ATOM 359 OD2 ASP 49 13.405 25.894 9.152 1.00 0.00 ATOM 360 O ASP 49 16.917 29.811 7.594 1.00 0.00 ATOM 361 C ASP 49 15.896 29.966 8.274 1.00 0.00 ATOM 362 N VAL 50 15.817 30.807 9.314 1.00 0.00 ATOM 363 CA VAL 50 16.962 31.553 9.810 1.00 0.00 ATOM 364 CB VAL 50 16.623 33.041 10.013 1.00 0.00 ATOM 365 CG1 VAL 50 17.821 33.789 10.576 1.00 0.00 ATOM 366 CG2 VAL 50 16.236 33.684 8.689 1.00 0.00 ATOM 367 O VAL 50 16.608 30.684 12.025 1.00 0.00 ATOM 368 C VAL 50 17.420 30.983 11.156 1.00 0.00 ATOM 369 N ILE 51 18.732 30.796 11.278 1.00 0.00 ATOM 370 CA ILE 51 19.330 30.166 12.421 1.00 0.00 ATOM 371 CB ILE 51 20.670 29.498 12.061 1.00 0.00 ATOM 372 CG1 ILE 51 20.471 28.468 10.946 1.00 0.00 ATOM 373 CG2 ILE 51 21.256 28.790 13.272 1.00 0.00 ATOM 374 CD1 ILE 51 19.522 27.348 11.314 1.00 0.00 ATOM 375 O ILE 51 20.253 32.172 13.275 1.00 0.00 ATOM 376 C ILE 51 19.594 31.177 13.501 1.00 0.00 ATOM 377 N ILE 52 19.080 30.890 14.690 1.00 0.00 ATOM 378 CA ILE 52 19.286 31.743 15.838 1.00 0.00 ATOM 379 CB ILE 52 17.974 31.973 16.612 1.00 0.00 ATOM 380 CG1 ILE 52 16.911 32.574 15.692 1.00 0.00 ATOM 381 CG2 ILE 52 18.203 32.928 17.774 1.00 0.00 ATOM 382 CD1 ILE 52 17.291 33.921 15.116 1.00 0.00 ATOM 383 O ILE 52 21.163 31.881 17.334 1.00 0.00 ATOM 384 C ILE 52 20.296 31.156 16.842 1.00 0.00 ATOM 385 N GLU 53 20.127 29.868 17.211 1.00 0.00 ATOM 386 CA GLU 53 21.034 29.212 18.133 1.00 0.00 ATOM 387 CB GLU 53 20.350 28.978 19.481 1.00 0.00 ATOM 388 CG GLU 53 19.966 30.255 20.212 1.00 0.00 ATOM 389 CD GLU 53 19.304 29.985 21.548 1.00 0.00 ATOM 390 OE1 GLU 53 19.097 28.798 21.880 1.00 0.00 ATOM 391 OE2 GLU 53 18.989 30.959 22.264 1.00 0.00 ATOM 392 O GLU 53 20.708 27.178 16.877 1.00 0.00 ATOM 393 C GLU 53 21.472 27.870 17.576 1.00 0.00 ATOM 394 N VAL 54 22.687 27.483 17.957 1.00 0.00 ATOM 395 CA VAL 54 23.252 26.150 17.730 1.00 0.00 ATOM 396 CB VAL 54 24.471 26.208 16.791 1.00 0.00 ATOM 397 CG1 VAL 54 25.062 24.819 16.600 1.00 0.00 ATOM 398 CG2 VAL 54 24.068 26.750 15.428 1.00 0.00 ATOM 399 O VAL 54 24.484 26.172 19.796 1.00 0.00 ATOM 400 C VAL 54 23.683 25.592 19.078 1.00 0.00 ATOM 401 N ASN 55 23.131 24.444 19.437 1.00 0.00 ATOM 402 CA ASN 55 23.442 23.810 20.701 1.00 0.00 ATOM 403 CB ASN 55 24.868 23.255 20.687 1.00 0.00 ATOM 404 CG ASN 55 25.044 22.124 19.693 1.00 0.00 ATOM 405 ND2 ASN 55 26.260 21.969 19.182 1.00 0.00 ATOM 406 OD1 ASN 55 24.095 21.398 19.392 1.00 0.00 ATOM 407 O ASN 55 24.200 24.764 22.765 1.00 0.00 ATOM 408 C ASN 55 23.346 24.762 21.900 1.00 0.00 ATOM 409 N GLY 56 22.298 25.580 21.897 1.00 0.00 ATOM 410 CA GLY 56 22.008 26.454 23.015 1.00 0.00 ATOM 411 O GLY 56 22.548 28.558 23.975 1.00 0.00 ATOM 412 C GLY 56 22.691 27.767 23.008 1.00 0.00 ATOM 413 N VAL 57 23.542 28.007 22.017 1.00 0.00 ATOM 414 CA VAL 57 24.355 29.217 21.908 1.00 0.00 ATOM 415 CB VAL 57 25.843 28.880 21.696 1.00 0.00 ATOM 416 CG1 VAL 57 26.659 30.153 21.536 1.00 0.00 ATOM 417 CG2 VAL 57 26.388 28.104 22.885 1.00 0.00 ATOM 418 O VAL 57 23.781 29.626 19.588 1.00 0.00 ATOM 419 C VAL 57 23.904 30.085 20.722 1.00 0.00 ATOM 420 N ASN 58 23.620 31.354 20.996 1.00 0.00 ATOM 421 CA ASN 58 23.232 32.276 19.978 1.00 0.00 ATOM 422 CB ASN 58 22.859 33.627 20.592 1.00 0.00 ATOM 423 CG ASN 58 22.334 34.609 19.563 1.00 0.00 ATOM 424 ND2 ASN 58 21.044 34.916 19.644 1.00 0.00 ATOM 425 OD1 ASN 58 23.080 35.084 18.708 1.00 0.00 ATOM 426 O ASN 58 25.539 32.657 19.420 1.00 0.00 ATOM 427 C ASN 58 24.394 32.482 18.995 1.00 0.00 ATOM 428 N VAL 59 24.095 32.349 17.696 1.00 0.00 ATOM 429 CA VAL 59 25.091 32.393 16.650 1.00 0.00 ATOM 430 CB VAL 59 25.019 31.145 15.750 1.00 0.00 ATOM 431 CG1 VAL 59 25.332 29.892 16.553 1.00 0.00 ATOM 432 CG2 VAL 59 23.629 30.998 15.151 1.00 0.00 ATOM 433 O VAL 59 25.612 33.728 14.740 1.00 0.00 ATOM 434 C VAL 59 24.917 33.598 15.752 1.00 0.00 ATOM 435 N LEU 60 24.029 34.512 16.136 1.00 0.00 ATOM 436 CA LEU 60 23.686 35.617 15.282 1.00 0.00 ATOM 437 CB LEU 60 22.537 36.425 15.886 1.00 0.00 ATOM 438 CG LEU 60 21.185 35.715 15.980 1.00 0.00 ATOM 439 CD1 LEU 60 20.168 36.585 16.704 1.00 0.00 ATOM 440 CD2 LEU 60 20.641 35.407 14.593 1.00 0.00 ATOM 441 O LEU 60 24.888 37.230 14.021 1.00 0.00 ATOM 442 C LEU 60 24.845 36.589 15.057 1.00 0.00 ATOM 443 N ASP 61 25.799 36.647 15.968 1.00 0.00 ATOM 444 CA ASP 61 26.989 37.482 15.768 1.00 0.00 ATOM 445 CB ASP 61 27.610 37.861 17.114 1.00 0.00 ATOM 446 CG ASP 61 28.145 36.660 17.868 1.00 0.00 ATOM 447 OD1 ASP 61 28.038 35.532 17.342 1.00 0.00 ATOM 448 OD2 ASP 61 28.673 36.846 18.985 1.00 0.00 ATOM 449 O ASP 61 29.142 37.634 14.728 1.00 0.00 ATOM 450 C ASP 61 28.160 36.917 14.970 1.00 0.00 ATOM 451 N GLU 62 28.069 35.647 14.550 1.00 0.00 ATOM 452 CA GLU 62 29.223 34.924 14.002 1.00 0.00 ATOM 453 CB GLU 62 29.152 33.441 14.374 1.00 0.00 ATOM 454 CG GLU 62 29.237 33.172 15.867 1.00 0.00 ATOM 455 CD GLU 62 30.545 33.639 16.472 1.00 0.00 ATOM 456 OE1 GLU 62 31.613 33.222 15.975 1.00 0.00 ATOM 457 OE2 GLU 62 30.504 34.425 17.442 1.00 0.00 ATOM 458 O GLU 62 28.373 35.075 11.763 1.00 0.00 ATOM 459 C GLU 62 29.354 34.973 12.478 1.00 0.00 ATOM 460 N PRO 63 30.590 34.795 11.994 1.00 0.00 ATOM 461 CA PRO 63 30.819 34.566 10.574 1.00 0.00 ATOM 462 CB PRO 63 32.329 34.744 10.409 1.00 0.00 ATOM 463 CG PRO 63 32.747 35.522 11.611 1.00 0.00 ATOM 464 CD PRO 63 31.825 35.101 12.722 1.00 0.00 ATOM 465 O PRO 63 30.306 32.262 10.954 1.00 0.00 ATOM 466 C PRO 63 30.377 33.161 10.142 1.00 0.00 ATOM 467 N TYR 64 30.066 33.005 8.861 1.00 0.00 ATOM 468 CA TYR 64 29.652 31.723 8.311 1.00 0.00 ATOM 469 CB TYR 64 29.747 31.739 6.783 1.00 0.00 ATOM 470 CG TYR 64 29.351 30.435 6.131 1.00 0.00 ATOM 471 CD1 TYR 64 28.014 30.102 5.957 1.00 0.00 ATOM 472 CD2 TYR 64 30.317 29.538 5.689 1.00 0.00 ATOM 473 CE1 TYR 64 27.644 28.912 5.362 1.00 0.00 ATOM 474 CE2 TYR 64 29.965 28.343 5.092 1.00 0.00 ATOM 475 CZ TYR 64 28.615 28.035 4.931 1.00 0.00 ATOM 476 OH TYR 64 28.248 26.848 4.337 1.00 0.00 ATOM 477 O TYR 64 29.990 29.544 9.279 1.00 0.00 ATOM 478 C TYR 64 30.516 30.550 8.807 1.00 0.00 ATOM 479 N GLU 65 31.840 30.669 8.699 1.00 0.00 ATOM 480 CA GLU 65 32.702 29.536 9.044 1.00 0.00 ATOM 481 CB GLU 65 34.173 29.895 8.824 1.00 0.00 ATOM 482 CG GLU 65 34.568 30.028 7.362 1.00 0.00 ATOM 483 CD GLU 65 35.996 30.503 7.186 1.00 0.00 ATOM 484 OE1 GLU 65 36.654 30.800 8.204 1.00 0.00 ATOM 485 OE2 GLU 65 36.458 30.579 6.028 1.00 0.00 ATOM 486 O GLU 65 32.662 27.948 10.851 1.00 0.00 ATOM 487 C GLU 65 32.540 29.119 10.502 1.00 0.00 ATOM 488 N LYS 66 32.340 30.102 11.368 1.00 0.00 ATOM 489 CA LYS 66 32.188 29.848 12.808 1.00 0.00 ATOM 490 CB LYS 66 32.239 31.161 13.592 1.00 0.00 ATOM 491 CG LYS 66 33.614 31.810 13.624 1.00 0.00 ATOM 492 CD LYS 66 33.595 33.104 14.422 1.00 0.00 ATOM 493 CE LYS 66 34.960 33.770 14.426 1.00 0.00 ATOM 494 NZ LYS 66 34.950 35.053 15.183 1.00 0.00 ATOM 495 O LYS 66 30.731 28.309 13.917 1.00 0.00 ATOM 496 C LYS 66 30.839 29.168 13.061 1.00 0.00 ATOM 497 N VAL 67 29.800 29.558 12.335 1.00 0.00 ATOM 498 CA VAL 67 28.500 28.906 12.522 1.00 0.00 ATOM 499 CB VAL 67 27.392 29.613 11.720 1.00 0.00 ATOM 500 CG1 VAL 67 26.100 28.812 11.778 1.00 0.00 ATOM 501 CG2 VAL 67 27.124 30.998 12.289 1.00 0.00 ATOM 502 O VAL 67 28.126 26.544 12.721 1.00 0.00 ATOM 503 C VAL 67 28.596 27.459 12.050 1.00 0.00 ATOM 504 N VAL 68 29.269 27.242 10.932 1.00 0.00 ATOM 505 CA VAL 68 29.524 25.863 10.428 1.00 0.00 ATOM 506 CB VAL 68 30.393 25.877 9.157 1.00 0.00 ATOM 507 CG1 VAL 68 30.805 24.464 8.777 1.00 0.00 ATOM 508 CG2 VAL 68 29.622 26.482 7.993 1.00 0.00 ATOM 509 O VAL 68 29.873 23.927 11.823 1.00 0.00 ATOM 510 C VAL 68 30.259 25.036 11.500 1.00 0.00 ATOM 511 N ASP 69 31.306 25.614 12.094 1.00 0.00 ATOM 512 CA ASP 69 32.057 24.906 13.125 1.00 0.00 ATOM 513 CB ASP 69 33.209 25.773 13.639 1.00 0.00 ATOM 514 CG ASP 69 34.340 25.894 12.635 1.00 0.00 ATOM 515 OD1 ASP 69 34.344 25.126 11.650 1.00 0.00 ATOM 516 OD2 ASP 69 35.220 26.756 12.834 1.00 0.00 ATOM 517 O ASP 69 31.215 23.450 14.877 1.00 0.00 ATOM 518 C ASP 69 31.157 24.556 14.311 1.00 0.00 ATOM 519 N ARG 70 30.316 25.493 14.693 1.00 0.00 ATOM 520 CA ARG 70 29.420 25.248 15.816 1.00 0.00 ATOM 521 CB ARG 70 28.568 26.487 16.102 1.00 0.00 ATOM 522 CG ARG 70 29.351 27.662 16.665 1.00 0.00 ATOM 523 CD ARG 70 28.438 28.841 16.962 1.00 0.00 ATOM 524 NE ARG 70 29.187 30.013 17.412 1.00 0.00 ATOM 525 CZ ARG 70 29.623 30.188 18.655 1.00 0.00 ATOM 526 NH1 ARG 70 30.295 31.286 18.973 1.00 0.00 ATOM 527 NH2 ARG 70 29.384 29.265 19.578 1.00 0.00 ATOM 528 O ARG 70 28.232 23.232 16.392 1.00 0.00 ATOM 529 C ARG 70 28.475 24.075 15.518 1.00 0.00 ATOM 530 N ILE 71 27.940 24.005 14.291 1.00 0.00 ATOM 531 CA ILE 71 27.041 22.893 13.914 1.00 0.00 ATOM 532 CB ILE 71 26.463 23.089 12.501 1.00 0.00 ATOM 533 CG1 ILE 71 25.505 24.283 12.477 1.00 0.00 ATOM 534 CG2 ILE 71 25.697 21.851 12.061 1.00 0.00 ATOM 535 CD1 ILE 71 25.097 24.712 11.084 1.00 0.00 ATOM 536 O ILE 71 27.256 20.534 14.353 1.00 0.00 ATOM 537 C ILE 71 27.792 21.564 13.930 1.00 0.00 ATOM 538 N GLN 72 29.061 21.587 13.514 1.00 0.00 ATOM 539 CA GLN 72 29.846 20.376 13.447 1.00 0.00 ATOM 540 CB GLN 72 30.992 20.534 12.446 1.00 0.00 ATOM 541 CG GLN 72 30.538 20.659 10.999 1.00 0.00 ATOM 542 CD GLN 72 31.687 20.942 10.052 1.00 0.00 ATOM 543 OE1 GLN 72 32.854 20.777 10.408 1.00 0.00 ATOM 544 NE2 GLN 72 31.359 21.369 8.838 1.00 0.00 ATOM 545 O GLN 72 31.217 18.986 14.859 1.00 0.00 ATOM 546 C GLN 72 30.488 19.976 14.799 1.00 0.00 ATOM 547 N SER 73 30.157 20.673 15.890 1.00 0.00 ATOM 548 CA SER 73 30.891 20.470 17.148 1.00 0.00 ATOM 549 CB SER 73 30.449 21.493 18.197 1.00 0.00 ATOM 550 OG SER 73 30.815 22.807 17.813 1.00 0.00 ATOM 551 O SER 73 31.635 18.546 18.365 1.00 0.00 ATOM 552 C SER 73 30.698 19.095 17.787 1.00 0.00 ATOM 553 N SER 74 29.477 18.573 17.753 1.00 0.00 ATOM 554 CA SER 74 29.182 17.292 18.348 1.00 0.00 ATOM 555 CB SER 74 27.813 17.321 19.032 1.00 0.00 ATOM 556 OG SER 74 27.464 16.039 19.527 1.00 0.00 ATOM 557 O SER 74 28.726 16.406 16.154 1.00 0.00 ATOM 558 C SER 74 29.166 16.195 17.274 1.00 0.00 ATOM 559 N GLY 75 29.629 15.011 17.622 1.00 0.00 ATOM 560 CA GLY 75 29.648 13.970 16.609 1.00 0.00 ATOM 561 O GLY 75 28.088 13.318 14.968 1.00 0.00 ATOM 562 C GLY 75 28.263 13.561 16.166 1.00 0.00 ATOM 563 N LYS 76 27.346 13.430 17.116 1.00 0.00 ATOM 564 CA LYS 76 26.072 12.699 16.969 1.00 0.00 ATOM 565 CB LYS 76 25.637 12.105 18.309 1.00 0.00 ATOM 566 CG LYS 76 26.570 11.029 18.843 1.00 0.00 ATOM 567 CD LYS 76 26.054 10.451 20.151 1.00 0.00 ATOM 568 CE LYS 76 27.000 9.396 20.700 1.00 0.00 ATOM 569 NZ LYS 76 26.523 8.843 21.997 1.00 0.00 ATOM 570 O LYS 76 23.916 13.002 15.984 1.00 0.00 ATOM 571 C LYS 76 24.896 13.526 16.483 1.00 0.00 ATOM 572 N ASN 77 24.941 14.815 16.776 1.00 0.00 ATOM 573 CA ASN 77 23.743 15.619 16.739 1.00 0.00 ATOM 574 CB ASN 77 22.885 15.361 17.980 1.00 0.00 ATOM 575 CG ASN 77 23.597 15.728 19.266 1.00 0.00 ATOM 576 ND2 ASN 77 23.963 14.717 20.048 1.00 0.00 ATOM 577 OD1 ASN 77 23.815 16.904 19.554 1.00 0.00 ATOM 578 O ASN 77 25.133 17.534 17.061 1.00 0.00 ATOM 579 C ASN 77 24.043 17.107 16.697 1.00 0.00 ATOM 580 N VAL 78 23.018 17.869 16.339 1.00 0.00 ATOM 581 CA VAL 78 23.010 19.316 16.445 1.00 0.00 ATOM 582 CB VAL 78 23.449 19.980 15.127 1.00 0.00 ATOM 583 CG1 VAL 78 22.479 19.638 14.007 1.00 0.00 ATOM 584 CG2 VAL 78 23.491 21.493 15.282 1.00 0.00 ATOM 585 O VAL 78 20.637 19.227 16.250 1.00 0.00 ATOM 586 C VAL 78 21.596 19.752 16.776 1.00 0.00 ATOM 587 N THR 79 21.473 20.728 17.652 1.00 0.00 ATOM 588 CA THR 79 20.192 21.322 18.005 1.00 0.00 ATOM 589 CB THR 79 19.986 21.352 19.531 1.00 0.00 ATOM 590 CG2 THR 79 18.649 21.990 19.875 1.00 0.00 ATOM 591 OG1 THR 79 20.010 20.016 20.047 1.00 0.00 ATOM 592 O THR 79 20.981 23.576 17.925 1.00 0.00 ATOM 593 C THR 79 20.196 22.724 17.462 1.00 0.00 ATOM 594 N LEU 80 19.314 22.966 16.492 1.00 0.00 ATOM 595 CA LEU 80 19.236 24.255 15.803 1.00 0.00 ATOM 596 CB LEU 80 19.312 24.059 14.288 1.00 0.00 ATOM 597 CG LEU 80 20.580 23.389 13.754 1.00 0.00 ATOM 598 CD1 LEU 80 20.490 23.192 12.248 1.00 0.00 ATOM 599 CD2 LEU 80 21.804 24.242 14.049 1.00 0.00 ATOM 600 O LEU 80 16.847 24.382 15.962 1.00 0.00 ATOM 601 C LEU 80 17.915 24.923 16.159 1.00 0.00 ATOM 602 N LEU 81 18.009 26.121 16.702 1.00 0.00 ATOM 603 CA LEU 81 16.825 26.949 16.973 1.00 0.00 ATOM 604 CB LEU 81 17.013 27.746 18.266 1.00 0.00 ATOM 605 CG LEU 81 15.875 28.694 18.649 1.00 0.00 ATOM 606 CD1 LEU 81 14.607 27.915 18.956 1.00 0.00 ATOM 607 CD2 LEU 81 16.245 29.506 19.881 1.00 0.00 ATOM 608 O LEU 81 17.585 28.633 15.494 1.00 0.00 ATOM 609 C LEU 81 16.670 27.876 15.810 1.00 0.00 ATOM 610 N VAL 82 15.514 27.778 15.158 1.00 0.00 ATOM 611 CA VAL 82 15.271 28.469 13.902 1.00 0.00 ATOM 612 CB VAL 82 15.238 27.489 12.715 1.00 0.00 ATOM 613 CG1 VAL 82 16.581 26.791 12.563 1.00 0.00 ATOM 614 CG2 VAL 82 14.168 26.429 12.929 1.00 0.00 ATOM 615 O VAL 82 13.019 28.889 14.686 1.00 0.00 ATOM 616 C VAL 82 13.937 29.210 13.915 1.00 0.00 ATOM 617 N CYS 83 13.835 30.195 13.038 1.00 0.00 ATOM 618 CA CYS 83 12.560 30.862 12.787 1.00 0.00 ATOM 619 CB CYS 83 12.599 32.303 13.300 1.00 0.00 ATOM 620 SG CYS 83 12.875 32.455 15.079 1.00 0.00 ATOM 621 O CYS 83 13.234 30.844 10.519 1.00 0.00 ATOM 622 C CYS 83 12.300 30.868 11.294 1.00 0.00 ATOM 623 N GLY 84 11.040 30.972 10.896 1.00 0.00 ATOM 624 CA GLY 84 10.722 31.057 9.470 1.00 0.00 ATOM 625 O GLY 84 11.412 33.351 9.664 1.00 0.00 ATOM 626 C GLY 84 11.005 32.442 8.927 1.00 0.00 ATOM 627 N LYS 85 10.836 32.612 7.622 1.00 0.00 ATOM 628 CA LYS 85 11.167 33.894 7.009 1.00 0.00 ATOM 629 CB LYS 85 10.960 33.834 5.494 1.00 0.00 ATOM 630 CG LYS 85 9.504 33.730 5.070 1.00 0.00 ATOM 631 CD LYS 85 9.375 33.652 3.556 1.00 0.00 ATOM 632 CE LYS 85 7.918 33.565 3.132 1.00 0.00 ATOM 633 NZ LYS 85 7.778 33.426 1.656 1.00 0.00 ATOM 634 O LYS 85 9.158 34.874 7.896 1.00 0.00 ATOM 635 C LYS 85 10.316 35.051 7.525 1.00 0.00 ATOM 636 N LYS 86 10.918 36.229 7.532 1.00 0.00 ATOM 637 CA LYS 86 10.215 37.433 7.869 1.00 0.00 ATOM 638 CB LYS 86 10.397 37.762 9.352 1.00 0.00 ATOM 639 CG LYS 86 9.749 36.762 10.295 1.00 0.00 ATOM 640 CD LYS 86 9.941 37.167 11.747 1.00 0.00 ATOM 641 CE LYS 86 9.252 36.193 12.688 1.00 0.00 ATOM 642 NZ LYS 86 9.434 36.576 14.115 1.00 0.00 ATOM 643 O LYS 86 11.901 38.611 6.642 1.00 0.00 ATOM 644 C LYS 86 10.736 38.586 7.054 1.00 0.00 ATOM 645 N ALA 87 9.865 39.560 6.852 1.00 0.00 ATOM 646 CA ALA 87 10.195 40.760 6.097 1.00 0.00 ATOM 647 CB ALA 87 9.705 40.635 4.663 1.00 0.00 ATOM 648 O ALA 87 8.355 41.925 7.067 1.00 0.00 ATOM 649 C ALA 87 9.526 41.955 6.755 1.00 0.00 ATOM 650 N GLN 88 10.276 43.037 6.902 1.00 0.00 ATOM 651 CA GLN 88 9.745 44.337 7.318 1.00 0.00 ATOM 652 CB GLN 88 10.856 45.199 7.921 1.00 0.00 ATOM 653 CG GLN 88 11.460 44.633 9.194 1.00 0.00 ATOM 654 CD GLN 88 12.633 45.451 9.699 1.00 0.00 ATOM 655 OE1 GLN 88 13.134 46.331 8.999 1.00 0.00 ATOM 656 NE2 GLN 88 13.072 45.164 10.918 1.00 0.00 ATOM 657 O GLN 88 9.824 45.196 5.103 1.00 0.00 ATOM 658 C GLN 88 9.164 45.054 6.125 1.00 0.00 TER END