PFRMAT TS TARGET T0408 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 T0408 model 1 Mon May 19 11:45:27 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 7.252 20.372 14.552 1.00 0.00 ATOM 2 CA MET 1 8.137 19.220 14.877 1.00 0.00 ATOM 3 CB MET 1 7.455 17.910 14.452 1.00 0.00 ATOM 4 CG MET 1 6.087 17.714 15.096 1.00 0.00 ATOM 5 SD MET 1 5.319 16.143 14.623 1.00 0.00 ATOM 6 CE MET 1 6.207 14.990 15.618 1.00 0.00 ATOM 7 O MET 1 9.449 19.926 12.997 1.00 0.00 ATOM 8 C MET 1 9.444 19.415 14.117 1.00 0.00 ATOM 9 N LYS 2 10.553 19.008 14.729 1.00 0.00 ATOM 10 CA LYS 2 11.857 19.143 14.094 1.00 0.00 ATOM 11 CB LYS 2 12.892 18.103 14.986 1.00 0.00 ATOM 12 CG LYS 2 12.530 17.935 16.462 1.00 0.00 ATOM 13 CD LYS 2 12.696 19.281 17.175 1.00 0.00 ATOM 14 CE LYS 2 13.064 19.100 18.631 1.00 0.00 ATOM 15 NZ LYS 2 13.515 20.355 19.296 1.00 0.00 ATOM 16 O LYS 2 12.459 18.869 11.797 1.00 0.00 ATOM 17 C LYS 2 11.917 18.380 12.789 1.00 0.00 ATOM 18 N ASN 3 11.358 17.175 12.782 1.00 0.00 ATOM 19 CA ASN 3 11.352 16.350 11.579 1.00 0.00 ATOM 20 CB ASN 3 10.773 14.960 11.845 1.00 0.00 ATOM 21 CG ASN 3 11.713 14.079 12.646 1.00 0.00 ATOM 22 ND2 ASN 3 11.162 13.052 13.281 1.00 0.00 ATOM 23 OD1 ASN 3 12.919 14.321 12.690 1.00 0.00 ATOM 24 O ASN 3 11.022 17.055 9.314 1.00 0.00 ATOM 25 C ASN 3 10.580 17.042 10.459 1.00 0.00 ATOM 26 N GLU 4 9.437 17.613 10.807 1.00 0.00 ATOM 27 CA GLU 4 8.614 18.305 9.817 1.00 0.00 ATOM 28 CB GLU 4 7.328 18.837 10.453 1.00 0.00 ATOM 29 CG GLU 4 6.359 19.461 9.462 1.00 0.00 ATOM 30 CD GLU 4 5.074 19.925 10.119 1.00 0.00 ATOM 31 OE1 GLU 4 4.938 19.750 11.347 1.00 0.00 ATOM 32 OE2 GLU 4 4.202 20.464 9.404 1.00 0.00 ATOM 33 O GLU 4 9.207 19.793 8.023 1.00 0.00 ATOM 34 C GLU 4 9.359 19.495 9.209 1.00 0.00 ATOM 35 N VAL 5 10.168 20.182 10.024 1.00 0.00 ATOM 36 CA VAL 5 10.900 21.332 9.502 1.00 0.00 ATOM 37 CB VAL 5 11.577 22.062 10.677 1.00 0.00 ATOM 38 CG1 VAL 5 12.522 23.138 10.162 1.00 0.00 ATOM 39 CG2 VAL 5 10.536 22.722 11.566 1.00 0.00 ATOM 40 O VAL 5 12.204 21.479 7.492 1.00 0.00 ATOM 41 C VAL 5 11.982 20.890 8.538 1.00 0.00 ATOM 42 N PHE 6 12.725 19.863 8.933 1.00 0.00 ATOM 43 CA PHE 6 13.701 19.213 8.055 1.00 0.00 ATOM 44 CB PHE 6 14.526 18.196 8.837 1.00 0.00 ATOM 45 CG PHE 6 15.511 18.827 9.773 1.00 0.00 ATOM 46 CD1 PHE 6 15.174 19.058 11.107 1.00 0.00 ATOM 47 CD2 PHE 6 16.754 19.248 9.313 1.00 0.00 ATOM 48 CE1 PHE 6 16.077 19.702 11.969 1.00 0.00 ATOM 49 CE2 PHE 6 17.655 19.890 10.161 1.00 0.00 ATOM 50 CZ PHE 6 17.318 20.115 11.489 1.00 0.00 ATOM 51 O PHE 6 13.724 18.306 5.843 1.00 0.00 ATOM 52 C PHE 6 13.063 18.541 6.853 1.00 0.00 ATOM 53 N PHE 7 11.761 18.241 6.969 1.00 0.00 ATOM 54 CA PHE 7 10.968 17.763 5.838 1.00 0.00 ATOM 55 CB PHE 7 9.486 17.689 6.211 1.00 0.00 ATOM 56 CG PHE 7 8.610 17.150 5.116 1.00 0.00 ATOM 57 CD1 PHE 7 8.555 15.792 4.860 1.00 0.00 ATOM 58 CD2 PHE 7 7.842 18.003 4.342 1.00 0.00 ATOM 59 CE1 PHE 7 7.750 15.296 3.853 1.00 0.00 ATOM 60 CE2 PHE 7 7.037 17.507 3.335 1.00 0.00 ATOM 61 CZ PHE 7 6.988 16.160 3.088 1.00 0.00 ATOM 62 O PHE 7 11.037 18.230 3.478 1.00 0.00 ATOM 63 C PHE 7 11.103 18.689 4.624 1.00 0.00 ATOM 64 N GLY 8 11.353 19.978 4.876 1.00 0.00 ATOM 65 CA GLY 8 11.492 20.944 3.796 1.00 0.00 ATOM 66 O GLY 8 12.828 21.531 1.915 1.00 0.00 ATOM 67 C GLY 8 12.689 20.774 2.865 1.00 0.00 ATOM 68 N GLU 9 13.536 19.719 3.210 1.00 0.00 ATOM 69 CA GLU 9 14.766 19.550 2.438 1.00 0.00 ATOM 70 CB GLU 9 15.634 18.448 3.049 1.00 0.00 ATOM 71 CG GLU 9 16.972 18.255 2.353 1.00 0.00 ATOM 72 CD GLU 9 17.887 19.453 2.507 1.00 0.00 ATOM 73 OE1 GLU 9 17.562 20.350 3.313 1.00 0.00 ATOM 74 OE2 GLU 9 18.930 19.495 1.820 1.00 0.00 ATOM 75 O GLU 9 15.219 19.547 0.083 1.00 0.00 ATOM 76 C GLU 9 14.475 19.176 0.989 1.00 0.00 ATOM 77 N GLY 10 13.381 18.438 0.774 1.00 0.00 ATOM 78 CA GLY 10 13.015 18.048 -0.576 1.00 0.00 ATOM 79 O GLY 10 13.263 19.261 -2.613 1.00 0.00 ATOM 80 C GLY 10 12.844 19.263 -1.467 1.00 0.00 ATOM 81 N MET 11 12.302 20.313 -0.904 1.00 0.00 ATOM 82 CA MET 11 12.102 21.541 -1.669 1.00 0.00 ATOM 83 CB MET 11 11.256 22.570 -0.915 1.00 0.00 ATOM 84 CG MET 11 9.809 22.154 -0.708 1.00 0.00 ATOM 85 SD MET 11 8.867 23.363 0.243 1.00 0.00 ATOM 86 CE MET 11 8.749 24.705 -0.937 1.00 0.00 ATOM 87 O MET 11 13.590 22.588 -3.198 1.00 0.00 ATOM 88 C MET 11 13.434 22.183 -2.052 1.00 0.00 ATOM 89 N LYS 12 14.348 22.277 -1.101 1.00 0.00 ATOM 90 CA LYS 12 15.679 22.809 -1.444 1.00 0.00 ATOM 91 CB LYS 12 16.583 22.831 -0.209 1.00 0.00 ATOM 92 CG LYS 12 16.178 23.855 0.839 1.00 0.00 ATOM 93 CD LYS 12 17.112 23.816 2.038 1.00 0.00 ATOM 94 CE LYS 12 16.704 24.837 3.087 1.00 0.00 ATOM 95 NZ LYS 12 17.590 24.790 4.282 1.00 0.00 ATOM 96 O LYS 12 17.243 22.512 -3.243 1.00 0.00 ATOM 97 C LYS 12 16.394 21.986 -2.543 1.00 0.00 ATOM 98 N VAL 13 16.066 20.705 -2.526 1.00 0.00 ATOM 99 CA VAL 13 16.625 19.764 -3.477 1.00 0.00 ATOM 100 CB VAL 13 16.232 18.302 -3.194 1.00 0.00 ATOM 101 CG1 VAL 13 16.719 17.394 -4.313 1.00 0.00 ATOM 102 CG2 VAL 13 16.847 17.828 -1.887 1.00 0.00 ATOM 103 O VAL 13 17.030 20.155 -5.799 1.00 0.00 ATOM 104 C VAL 13 16.196 20.122 -4.894 1.00 0.00 ATOM 105 N VAL 14 14.901 20.387 -5.063 1.00 0.00 ATOM 106 CA VAL 14 14.375 20.721 -6.379 1.00 0.00 ATOM 107 CB VAL 14 12.908 20.291 -6.536 1.00 0.00 ATOM 108 CG1 VAL 14 12.759 18.788 -6.322 1.00 0.00 ATOM 109 CG2 VAL 14 11.991 21.061 -5.641 1.00 0.00 ATOM 110 O VAL 14 14.399 22.511 -7.956 1.00 0.00 ATOM 111 C VAL 14 14.596 22.169 -6.781 1.00 0.00 ATOM 112 N LYS 15 14.939 22.982 -5.787 1.00 0.00 ATOM 113 CA LYS 15 15.039 24.424 -5.993 1.00 0.00 ATOM 114 CB LYS 15 15.247 25.143 -4.659 1.00 0.00 ATOM 115 CG LYS 15 15.275 26.658 -4.766 1.00 0.00 ATOM 116 CD LYS 15 15.398 27.307 -3.399 1.00 0.00 ATOM 117 CE LYS 15 15.422 28.823 -3.506 1.00 0.00 ATOM 118 NZ LYS 15 15.539 29.474 -2.172 1.00 0.00 ATOM 119 O LYS 15 16.213 26.076 -7.262 1.00 0.00 ATOM 120 C LYS 15 16.173 24.894 -6.886 1.00 0.00 ATOM 121 N GLU 16 17.316 23.970 -7.063 1.00 0.00 ATOM 122 CA GLU 16 18.298 24.488 -8.011 1.00 0.00 ATOM 123 CB GLU 16 19.311 23.403 -8.378 1.00 0.00 ATOM 124 CG GLU 16 20.273 23.046 -7.256 1.00 0.00 ATOM 125 CD GLU 16 21.202 21.907 -7.626 1.00 0.00 ATOM 126 OE1 GLU 16 21.038 21.338 -8.726 1.00 0.00 ATOM 127 OE2 GLU 16 22.096 21.581 -6.816 1.00 0.00 ATOM 128 O GLU 16 18.185 26.023 -9.864 1.00 0.00 ATOM 129 C GLU 16 17.642 25.123 -9.255 1.00 0.00 ATOM 130 N LYS 17 16.499 24.574 -9.631 1.00 0.00 ATOM 131 CA LYS 17 15.764 24.971 -10.846 1.00 0.00 ATOM 132 CB LYS 17 16.020 23.931 -11.952 1.00 0.00 ATOM 133 CG LYS 17 15.492 24.327 -13.322 1.00 0.00 ATOM 134 CD LYS 17 15.783 23.255 -14.361 1.00 0.00 ATOM 135 CE LYS 17 15.282 23.670 -15.735 1.00 0.00 ATOM 136 NZ LYS 17 15.559 22.634 -16.767 1.00 0.00 ATOM 137 O LYS 17 13.595 24.302 -10.079 1.00 0.00 ATOM 138 C LYS 17 14.292 25.216 -10.526 1.00 0.00 ATOM 139 N TYR 18 13.819 26.459 -10.629 1.00 0.00 ATOM 140 CA TYR 18 12.488 26.703 -10.073 1.00 0.00 ATOM 141 CB TYR 18 12.146 28.193 -10.135 1.00 0.00 ATOM 142 CG TYR 18 12.890 29.034 -9.123 1.00 0.00 ATOM 143 CD1 TYR 18 13.940 29.855 -9.513 1.00 0.00 ATOM 144 CD2 TYR 18 12.539 29.006 -7.778 1.00 0.00 ATOM 145 CE1 TYR 18 14.626 30.627 -8.596 1.00 0.00 ATOM 146 CE2 TYR 18 13.213 29.772 -6.846 1.00 0.00 ATOM 147 CZ TYR 18 14.264 30.587 -7.266 1.00 0.00 ATOM 148 OH TYR 18 14.945 31.356 -6.351 1.00 0.00 ATOM 149 O TYR 18 10.423 25.487 -10.301 1.00 0.00 ATOM 150 C TYR 18 11.423 25.926 -10.863 1.00 0.00 ATOM 151 N PRO 19 11.639 25.761 -12.182 1.00 0.00 ATOM 152 CA PRO 19 10.650 25.017 -12.972 1.00 0.00 ATOM 153 CB PRO 19 11.238 25.049 -14.383 1.00 0.00 ATOM 154 CG PRO 19 12.016 26.321 -14.405 1.00 0.00 ATOM 155 CD PRO 19 12.688 26.319 -13.053 1.00 0.00 ATOM 156 O PRO 19 9.303 23.128 -12.298 1.00 0.00 ATOM 157 C PRO 19 10.421 23.619 -12.414 1.00 0.00 ATOM 158 N ASP 20 11.505 22.957 -12.016 1.00 0.00 ATOM 159 CA ASP 20 11.411 21.635 -11.431 1.00 0.00 ATOM 160 CB ASP 20 12.805 21.051 -11.196 1.00 0.00 ATOM 161 CG ASP 20 13.488 20.638 -12.486 1.00 0.00 ATOM 162 OD1 ASP 20 12.802 20.572 -13.528 1.00 0.00 ATOM 163 OD2 ASP 20 14.711 20.382 -12.454 1.00 0.00 ATOM 164 O ASP 20 9.835 20.833 -9.807 1.00 0.00 ATOM 165 C ASP 20 10.685 21.672 -10.102 1.00 0.00 ATOM 166 N LEU 21 10.996 22.655 -9.285 1.00 0.00 ATOM 167 CA LEU 21 10.341 22.823 -7.980 1.00 0.00 ATOM 168 CB LEU 21 10.933 24.020 -7.233 1.00 0.00 ATOM 169 CG LEU 21 10.356 24.305 -5.846 1.00 0.00 ATOM 170 CD1 LEU 21 10.590 23.128 -4.912 1.00 0.00 ATOM 171 CD2 LEU 21 11.010 25.535 -5.235 1.00 0.00 ATOM 172 O LEU 21 7.975 22.512 -7.495 1.00 0.00 ATOM 173 C LEU 21 8.853 23.059 -8.150 1.00 0.00 ATOM 174 N TYR 22 8.520 23.892 -9.134 1.00 0.00 ATOM 175 CA TYR 22 7.140 24.186 -9.475 1.00 0.00 ATOM 176 CB TYR 22 7.074 25.132 -10.676 1.00 0.00 ATOM 177 CG TYR 22 5.666 25.455 -11.123 1.00 0.00 ATOM 178 CD1 TYR 22 4.907 26.405 -10.450 1.00 0.00 ATOM 179 CD2 TYR 22 5.101 24.813 -12.217 1.00 0.00 ATOM 180 CE1 TYR 22 3.620 26.709 -10.851 1.00 0.00 ATOM 181 CE2 TYR 22 3.815 25.103 -12.633 1.00 0.00 ATOM 182 CZ TYR 22 3.077 26.061 -11.939 1.00 0.00 ATOM 183 OH TYR 22 1.795 26.360 -12.341 1.00 0.00 ATOM 184 O TYR 22 5.323 22.677 -9.269 1.00 0.00 ATOM 185 C TYR 22 6.411 22.915 -9.823 1.00 0.00 ATOM 186 N ASP 23 6.903 22.092 -10.713 1.00 0.00 ATOM 187 CA ASP 23 6.258 20.892 -11.194 1.00 0.00 ATOM 188 CB ASP 23 7.086 20.249 -12.309 1.00 0.00 ATOM 189 CG ASP 23 7.019 21.029 -13.607 1.00 0.00 ATOM 190 OD1 ASP 23 6.155 21.924 -13.718 1.00 0.00 ATOM 191 OD2 ASP 23 7.830 20.745 -14.513 1.00 0.00 ATOM 192 O ASP 23 5.076 19.203 -9.971 1.00 0.00 ATOM 193 C ASP 23 6.099 19.875 -10.073 1.00 0.00 ATOM 194 N ILE 24 7.113 19.777 -9.272 1.00 0.00 ATOM 195 CA ILE 24 7.091 18.836 -8.161 1.00 0.00 ATOM 196 CB ILE 24 8.397 18.776 -7.391 1.00 0.00 ATOM 197 CG1 ILE 24 9.476 18.127 -8.268 1.00 0.00 ATOM 198 CG2 ILE 24 8.225 18.010 -6.076 1.00 0.00 ATOM 199 CD1 ILE 24 9.172 16.697 -8.678 1.00 0.00 ATOM 200 O ILE 24 5.133 18.430 -6.779 1.00 0.00 ATOM 201 C ILE 24 5.983 19.209 -7.173 1.00 0.00 ATOM 202 N ILE 25 6.030 20.479 -6.799 1.00 0.00 ATOM 203 CA ILE 25 5.096 20.979 -5.788 1.00 0.00 ATOM 204 CB ILE 25 5.460 22.407 -5.337 1.00 0.00 ATOM 205 CG1 ILE 25 6.774 22.401 -4.555 1.00 0.00 ATOM 206 CG2 ILE 25 4.368 22.976 -4.442 1.00 0.00 ATOM 207 CD1 ILE 25 7.339 23.782 -4.301 1.00 0.00 ATOM 208 O ILE 25 2.716 20.788 -5.535 1.00 0.00 ATOM 209 C ILE 25 3.653 21.021 -6.297 1.00 0.00 ATOM 210 N VAL 26 3.492 21.296 -7.573 1.00 0.00 ATOM 211 CA VAL 26 2.150 21.313 -8.156 1.00 0.00 ATOM 212 CB VAL 26 2.131 21.713 -9.644 1.00 0.00 ATOM 213 CG1 VAL 26 0.734 21.552 -10.221 1.00 0.00 ATOM 214 CG2 VAL 26 2.556 23.163 -9.812 1.00 0.00 ATOM 215 O VAL 26 0.329 19.788 -7.678 1.00 0.00 ATOM 216 C VAL 26 1.492 19.944 -8.030 1.00 0.00 ATOM 217 N LYS 27 2.269 18.911 -8.314 1.00 0.00 ATOM 218 CA LYS 27 1.777 17.549 -8.243 1.00 0.00 ATOM 219 CB LYS 27 2.868 16.582 -8.746 1.00 0.00 ATOM 220 CG LYS 27 2.397 15.131 -8.766 1.00 0.00 ATOM 221 CD LYS 27 3.524 14.191 -9.167 1.00 0.00 ATOM 222 CE LYS 27 4.508 14.015 -8.018 1.00 0.00 ATOM 223 NZ LYS 27 5.707 13.245 -8.450 1.00 0.00 ATOM 224 O LYS 27 0.322 16.572 -6.655 1.00 0.00 ATOM 225 C LYS 27 1.368 17.196 -6.823 1.00 0.00 ATOM 226 N LEU 28 2.221 17.493 -5.831 1.00 0.00 ATOM 227 CA LEU 28 1.856 17.207 -4.450 1.00 0.00 ATOM 228 CB LEU 28 2.896 17.790 -3.490 1.00 0.00 ATOM 229 CG LEU 28 2.636 17.574 -1.997 1.00 0.00 ATOM 230 CD1 LEU 28 2.647 16.092 -1.658 1.00 0.00 ATOM 231 CD2 LEU 28 3.703 18.262 -1.161 1.00 0.00 ATOM 232 O LEU 28 -0.367 17.203 -3.510 1.00 0.00 ATOM 233 C LEU 28 0.497 17.832 -4.124 1.00 0.00 ATOM 234 N ASN 29 0.307 19.099 -4.467 1.00 0.00 ATOM 235 CA ASN 29 -0.912 19.788 -4.032 1.00 0.00 ATOM 236 CB ASN 29 -0.872 21.262 -4.442 1.00 0.00 ATOM 237 CG ASN 29 0.092 22.075 -3.600 1.00 0.00 ATOM 238 ND2 ASN 29 0.491 23.233 -4.114 1.00 0.00 ATOM 239 OD1 ASN 29 0.471 21.666 -2.504 1.00 0.00 ATOM 240 O ASN 29 -3.134 18.865 -3.993 1.00 0.00 ATOM 241 C ASN 29 -2.142 19.145 -4.673 1.00 0.00 ATOM 242 N ASP 30 -2.030 18.883 -5.964 1.00 0.00 ATOM 243 CA ASP 30 -3.189 18.334 -6.667 1.00 0.00 ATOM 244 CB ASP 30 -2.878 18.167 -8.171 1.00 0.00 ATOM 245 CG ASP 30 -2.981 19.446 -8.963 1.00 0.00 ATOM 246 OD1 ASP 30 -3.562 20.428 -8.483 1.00 0.00 ATOM 247 OD2 ASP 30 -2.497 19.526 -10.117 1.00 0.00 ATOM 248 O ASP 30 -4.795 16.678 -6.071 1.00 0.00 ATOM 249 C ASP 30 -3.595 16.982 -6.113 1.00 0.00 ATOM 250 N THR 31 -2.632 16.181 -5.765 1.00 0.00 ATOM 251 CA THR 31 -2.884 14.837 -5.297 1.00 0.00 ATOM 252 CB THR 31 -1.623 13.955 -5.348 1.00 0.00 ATOM 253 CG2 THR 31 -1.141 13.799 -6.782 1.00 0.00 ATOM 254 OG1 THR 31 -0.582 14.559 -4.571 1.00 0.00 ATOM 255 O THR 31 -4.244 14.051 -3.526 1.00 0.00 ATOM 256 C THR 31 -3.347 14.824 -3.852 1.00 0.00 ATOM 257 N VAL 32 -2.749 15.760 -2.976 1.00 0.00 ATOM 258 CA VAL 32 -3.015 15.764 -1.548 1.00 0.00 ATOM 259 CB VAL 32 -1.762 16.146 -0.742 1.00 0.00 ATOM 260 CG1 VAL 32 -2.092 16.253 0.740 1.00 0.00 ATOM 261 CG2 VAL 32 -0.674 15.097 -0.917 1.00 0.00 ATOM 262 O VAL 32 -4.822 16.504 -0.141 1.00 0.00 ATOM 263 C VAL 32 -4.106 16.741 -1.131 1.00 0.00 ATOM 264 N PHE 33 -4.199 17.840 -1.871 1.00 0.00 ATOM 265 CA PHE 33 -5.144 18.868 -1.449 1.00 0.00 ATOM 266 CB PHE 33 -4.409 20.177 -1.155 1.00 0.00 ATOM 267 CG PHE 33 -3.384 20.064 -0.063 1.00 0.00 ATOM 268 CD1 PHE 33 -2.033 20.045 -0.361 1.00 0.00 ATOM 269 CD2 PHE 33 -3.771 19.978 1.263 1.00 0.00 ATOM 270 CE1 PHE 33 -1.090 19.941 0.644 1.00 0.00 ATOM 271 CE2 PHE 33 -2.828 19.875 2.268 1.00 0.00 ATOM 272 CZ PHE 33 -1.492 19.855 1.963 1.00 0.00 ATOM 273 O PHE 33 -7.148 19.897 -2.127 1.00 0.00 ATOM 274 C PHE 33 -6.193 19.204 -2.468 1.00 0.00 ATOM 275 N THR 34 -6.031 18.744 -3.697 1.00 0.00 ATOM 276 CA THR 34 -7.032 19.047 -4.699 1.00 0.00 ATOM 277 CB THR 34 -6.491 18.846 -6.136 1.00 0.00 ATOM 278 CG2 THR 34 -6.308 17.371 -6.456 1.00 0.00 ATOM 279 OG1 THR 34 -7.403 19.437 -7.067 1.00 0.00 ATOM 280 O THR 34 -8.350 17.366 -3.588 1.00 0.00 ATOM 281 C THR 34 -8.269 18.196 -4.497 1.00 0.00 ATOM 282 N GLY 35 -9.247 18.463 -5.349 1.00 0.00 ATOM 283 CA GLY 35 -10.538 17.798 -5.274 1.00 0.00 ATOM 284 O GLY 35 -9.790 15.759 -6.264 1.00 0.00 ATOM 285 C GLY 35 -10.455 16.287 -5.377 1.00 0.00 ATOM 286 N LYS 36 -11.216 15.607 -4.411 1.00 0.00 ATOM 287 CA LYS 36 -11.188 14.148 -4.371 1.00 0.00 ATOM 288 CB LYS 36 -11.361 13.610 -2.936 1.00 0.00 ATOM 289 CG LYS 36 -12.696 13.808 -2.322 1.00 0.00 ATOM 290 CD LYS 36 -12.911 13.135 -0.940 1.00 0.00 ATOM 291 CE LYS 36 -14.294 13.471 -0.357 1.00 0.00 ATOM 292 NZ LYS 36 -14.497 12.971 1.036 1.00 0.00 ATOM 293 O LYS 36 -13.286 13.796 -5.498 1.00 0.00 ATOM 294 C LYS 36 -12.114 13.440 -5.351 1.00 0.00 ATOM 295 N THR 37 -11.572 12.449 -6.037 1.00 0.00 ATOM 296 CA THR 37 -12.333 11.658 -6.994 1.00 0.00 ATOM 297 CB THR 37 -11.778 11.874 -8.416 1.00 0.00 ATOM 298 CG2 THR 37 -11.860 13.341 -8.802 1.00 0.00 ATOM 299 OG1 THR 37 -10.408 11.456 -8.465 1.00 0.00 ATOM 300 O THR 37 -12.842 9.343 -7.385 1.00 0.00 ATOM 301 C THR 37 -12.250 10.164 -6.683 1.00 0.00 ATOM 302 N LEU 38 -11.511 9.820 -5.628 1.00 0.00 ATOM 303 CA LEU 38 -11.323 8.427 -5.221 1.00 0.00 ATOM 304 CB LEU 38 -9.985 7.886 -5.726 1.00 0.00 ATOM 305 CG LEU 38 -9.817 7.803 -7.245 1.00 0.00 ATOM 306 CD1 LEU 38 -8.373 7.493 -7.610 1.00 0.00 ATOM 307 CD2 LEU 38 -10.700 6.708 -7.825 1.00 0.00 ATOM 308 O LEU 38 -11.071 9.239 -2.982 1.00 0.00 ATOM 309 C LEU 38 -11.360 8.286 -3.704 1.00 0.00 ATOM 310 N ASP 39 -11.707 7.104 -3.219 1.00 0.00 ATOM 311 CA ASP 39 -11.737 6.828 -1.784 1.00 0.00 ATOM 312 CB ASP 39 -12.776 5.754 -1.457 1.00 0.00 ATOM 313 CG ASP 39 -14.188 6.185 -1.802 1.00 0.00 ATOM 314 OD1 ASP 39 -14.619 7.251 -1.313 1.00 0.00 ATOM 315 OD2 ASP 39 -14.863 5.458 -2.559 1.00 0.00 ATOM 316 O ASP 39 -9.957 6.826 -0.264 1.00 0.00 ATOM 317 C ASP 39 -10.408 6.316 -1.316 1.00 0.00 ATOM 318 N TYR 40 -9.848 5.399 -2.054 1.00 0.00 ATOM 319 CA TYR 40 -8.546 4.792 -1.771 1.00 0.00 ATOM 320 CB TYR 40 -8.136 3.702 -2.763 1.00 0.00 ATOM 321 CG TYR 40 -8.873 2.395 -2.574 1.00 0.00 ATOM 322 CD1 TYR 40 -9.916 2.037 -3.421 1.00 0.00 ATOM 323 CD2 TYR 40 -8.525 1.523 -1.552 1.00 0.00 ATOM 324 CE1 TYR 40 -10.595 0.846 -3.256 1.00 0.00 ATOM 325 CE2 TYR 40 -9.192 0.325 -1.372 1.00 0.00 ATOM 326 CZ TYR 40 -10.234 -0.008 -2.236 1.00 0.00 ATOM 327 OH TYR 40 -10.909 -1.196 -2.070 1.00 0.00 ATOM 328 O TYR 40 -6.662 5.952 -0.874 1.00 0.00 ATOM 329 C TYR 40 -7.470 5.877 -1.795 1.00 0.00 ATOM 330 N LYS 41 -7.484 6.691 -2.843 1.00 0.00 ATOM 331 CA LYS 41 -6.522 7.780 -3.038 1.00 0.00 ATOM 332 CB LYS 41 -6.820 8.530 -4.339 1.00 0.00 ATOM 333 CG LYS 41 -5.840 9.651 -4.646 1.00 0.00 ATOM 334 CD LYS 41 -6.147 10.301 -5.986 1.00 0.00 ATOM 335 CE LYS 41 -5.187 11.441 -6.280 1.00 0.00 ATOM 336 NZ LYS 41 -5.485 12.097 -7.583 1.00 0.00 ATOM 337 O LYS 41 -5.563 9.241 -1.407 1.00 0.00 ATOM 338 C LYS 41 -6.592 8.771 -1.888 1.00 0.00 ATOM 339 N THR 42 -7.817 9.105 -1.502 1.00 0.00 ATOM 340 CA THR 42 -7.987 10.061 -0.416 1.00 0.00 ATOM 341 CB THR 42 -9.474 10.281 -0.085 1.00 0.00 ATOM 342 CG2 THR 42 -9.624 11.251 1.076 1.00 0.00 ATOM 343 OG1 THR 42 -10.147 10.821 -1.230 1.00 0.00 ATOM 344 O THR 42 -6.663 10.327 1.569 1.00 0.00 ATOM 345 C THR 42 -7.314 9.559 0.862 1.00 0.00 ATOM 346 N GLN 43 -7.454 8.271 1.152 1.00 0.00 ATOM 347 CA GLN 43 -6.832 7.714 2.347 1.00 0.00 ATOM 348 CB GLN 43 -7.329 6.285 2.575 1.00 0.00 ATOM 349 CG GLN 43 -8.793 6.193 2.974 1.00 0.00 ATOM 350 CD GLN 43 -9.278 4.761 3.084 1.00 0.00 ATOM 351 OE1 GLN 43 -8.549 3.822 2.763 1.00 0.00 ATOM 352 NE2 GLN 43 -10.515 4.589 3.537 1.00 0.00 ATOM 353 O GLN 43 -4.628 8.017 3.177 1.00 0.00 ATOM 354 C GLN 43 -5.324 7.716 2.211 1.00 0.00 ATOM 355 N LYS 44 -4.848 7.410 1.014 1.00 0.00 ATOM 356 CA LYS 44 -3.400 7.496 0.773 1.00 0.00 ATOM 357 CB LYS 44 -3.061 7.007 -0.637 1.00 0.00 ATOM 358 CG LYS 44 -3.307 5.524 -0.857 1.00 0.00 ATOM 359 CD LYS 44 -2.369 4.678 -0.011 1.00 0.00 ATOM 360 CE LYS 44 -2.590 3.195 -0.257 1.00 0.00 ATOM 361 NZ LYS 44 -1.657 2.355 0.544 1.00 0.00 ATOM 362 O LYS 44 -1.783 9.130 1.419 1.00 0.00 ATOM 363 C LYS 44 -2.894 8.925 0.931 1.00 0.00 ATOM 364 N LEU 45 -3.686 9.909 0.518 1.00 0.00 ATOM 365 CA LEU 45 -3.306 11.309 0.676 1.00 0.00 ATOM 366 CB LEU 45 -4.282 12.251 0.023 1.00 0.00 ATOM 367 CG LEU 45 -4.493 12.058 -1.482 1.00 0.00 ATOM 368 CD1 LEU 45 -5.408 13.158 -2.009 1.00 0.00 ATOM 369 CD2 LEU 45 -3.154 12.075 -2.212 1.00 0.00 ATOM 370 O LEU 45 -2.204 12.308 2.561 1.00 0.00 ATOM 371 C LEU 45 -3.177 11.674 2.150 1.00 0.00 ATOM 372 N ILE 46 -4.168 11.270 2.943 1.00 0.00 ATOM 373 CA ILE 46 -4.168 11.556 4.373 1.00 0.00 ATOM 374 CB ILE 46 -5.422 10.979 5.055 1.00 0.00 ATOM 375 CG1 ILE 46 -6.675 11.721 4.586 1.00 0.00 ATOM 376 CG2 ILE 46 -5.317 11.116 6.566 1.00 0.00 ATOM 377 CD1 ILE 46 -7.970 11.052 4.993 1.00 0.00 ATOM 378 O ILE 46 -2.233 11.617 5.851 1.00 0.00 ATOM 379 C ILE 46 -2.937 10.942 5.047 1.00 0.00 ATOM 380 N ALA 47 -2.628 9.685 4.741 1.00 0.00 ATOM 381 CA ALA 47 -1.472 9.030 5.361 1.00 0.00 ATOM 382 CB ALA 47 -1.589 7.484 4.938 1.00 0.00 ATOM 383 O ALA 47 0.777 9.744 5.799 1.00 0.00 ATOM 384 C ALA 47 -0.165 9.730 5.005 1.00 0.00 ATOM 385 N ILE 48 -0.109 10.313 3.811 1.00 0.00 ATOM 386 CA ILE 48 1.097 11.018 3.362 1.00 0.00 ATOM 387 CB ILE 48 1.003 11.441 1.885 1.00 0.00 ATOM 388 CG1 ILE 48 1.048 10.213 0.974 1.00 0.00 ATOM 389 CG2 ILE 48 2.162 12.355 1.519 1.00 0.00 ATOM 390 CD1 ILE 48 0.701 10.511 -0.469 1.00 0.00 ATOM 391 O ILE 48 2.463 12.554 4.617 1.00 0.00 ATOM 392 C ILE 48 1.335 12.277 4.200 1.00 0.00 ATOM 393 N GLY 49 0.299 13.042 4.441 1.00 0.00 ATOM 394 CA GLY 49 0.433 14.203 5.299 1.00 0.00 ATOM 395 O GLY 49 1.845 14.485 7.244 1.00 0.00 ATOM 396 C GLY 49 0.932 13.846 6.688 1.00 0.00 ATOM 397 N ILE 50 0.391 12.812 7.308 1.00 0.00 ATOM 398 CA ILE 50 0.920 12.329 8.593 1.00 0.00 ATOM 399 CB ILE 50 0.166 11.077 9.074 1.00 0.00 ATOM 400 CG1 ILE 50 -1.270 11.435 9.466 1.00 0.00 ATOM 401 CG2 ILE 50 0.856 10.470 10.287 1.00 0.00 ATOM 402 CD1 ILE 50 -2.160 10.232 9.687 1.00 0.00 ATOM 403 O ILE 50 3.239 12.343 9.255 1.00 0.00 ATOM 404 C ILE 50 2.392 11.934 8.462 1.00 0.00 ATOM 405 N VAL 51 2.685 11.159 7.421 1.00 0.00 ATOM 406 CA VAL 51 4.069 10.682 7.221 1.00 0.00 ATOM 407 CB VAL 51 4.182 9.564 6.138 1.00 0.00 ATOM 408 CG1 VAL 51 3.393 8.310 6.597 1.00 0.00 ATOM 409 CG2 VAL 51 3.743 10.066 4.793 1.00 0.00 ATOM 410 O VAL 51 6.217 11.746 7.283 1.00 0.00 ATOM 411 C VAL 51 5.046 11.805 6.957 1.00 0.00 ATOM 412 N ALA 52 4.544 12.841 6.271 1.00 0.00 ATOM 413 CA ALA 52 5.398 13.979 5.975 1.00 0.00 ATOM 414 CB ALA 52 4.721 14.957 5.065 1.00 0.00 ATOM 415 O ALA 52 6.924 15.040 7.496 1.00 0.00 ATOM 416 C ALA 52 5.763 14.693 7.275 1.00 0.00 ATOM 417 N SER 53 4.770 14.911 8.131 1.00 0.00 ATOM 418 CA SER 53 5.005 15.582 9.405 1.00 0.00 ATOM 419 CB SER 53 3.688 15.760 10.164 1.00 0.00 ATOM 420 OG SER 53 3.169 14.511 10.584 1.00 0.00 ATOM 421 O SER 53 6.729 15.405 11.067 1.00 0.00 ATOM 422 C SER 53 5.975 14.815 10.302 1.00 0.00 ATOM 423 N ARG 54 5.975 13.480 10.194 1.00 0.00 ATOM 424 CA ARG 54 6.889 12.609 10.950 1.00 0.00 ATOM 425 CB ARG 54 6.239 11.248 11.209 1.00 0.00 ATOM 426 CG ARG 54 5.019 11.305 12.114 1.00 0.00 ATOM 427 CD ARG 54 4.437 9.920 12.345 1.00 0.00 ATOM 428 NE ARG 54 3.238 9.961 13.176 1.00 0.00 ATOM 429 CZ ARG 54 2.487 8.901 13.460 1.00 0.00 ATOM 430 NH1 ARG 54 1.414 9.035 14.226 1.00 0.00 ATOM 431 NH2 ARG 54 2.814 7.711 12.977 1.00 0.00 ATOM 432 O ARG 54 9.138 11.749 10.888 1.00 0.00 ATOM 433 C ARG 54 8.226 12.345 10.261 1.00 0.00 ATOM 434 N CYS 55 8.373 12.871 9.054 1.00 0.00 ATOM 435 CA CYS 55 9.646 12.928 8.329 1.00 0.00 ATOM 436 CB CYS 55 10.681 13.742 9.107 1.00 0.00 ATOM 437 SG CYS 55 12.149 14.190 8.152 1.00 0.00 ATOM 438 O CYS 55 11.417 11.246 8.402 1.00 0.00 ATOM 439 C CYS 55 10.235 11.505 8.116 1.00 0.00 ATOM 440 N ASP 56 9.407 10.623 7.560 1.00 0.00 ATOM 441 CA ASP 56 9.825 9.271 7.150 1.00 0.00 ATOM 442 CB ASP 56 8.858 8.217 7.694 1.00 0.00 ATOM 443 CG ASP 56 9.268 6.805 7.326 1.00 0.00 ATOM 444 OD1 ASP 56 10.251 6.649 6.571 1.00 0.00 ATOM 445 OD2 ASP 56 8.607 5.853 7.792 1.00 0.00 ATOM 446 O ASP 56 8.767 9.049 5.026 1.00 0.00 ATOM 447 C ASP 56 9.821 9.171 5.632 1.00 0.00 ATOM 448 N GLU 57 10.996 9.241 5.012 1.00 0.00 ATOM 449 CA GLU 57 11.087 9.276 3.553 1.00 0.00 ATOM 450 CB GLU 57 12.543 9.350 3.089 1.00 0.00 ATOM 451 CG GLU 57 12.710 9.438 1.581 1.00 0.00 ATOM 452 CD GLU 57 14.158 9.609 1.164 1.00 0.00 ATOM 453 OE1 GLU 57 14.990 8.760 1.545 1.00 0.00 ATOM 454 OE2 GLU 57 14.459 10.593 0.457 1.00 0.00 ATOM 455 O GLU 57 9.649 8.133 2.005 1.00 0.00 ATOM 456 C GLU 57 10.437 8.032 2.946 1.00 0.00 ATOM 457 N VAL 58 10.769 6.863 3.484 1.00 0.00 ATOM 458 CA VAL 58 10.208 5.614 2.985 1.00 0.00 ATOM 459 CB VAL 58 10.795 4.375 3.686 1.00 0.00 ATOM 460 CG1 VAL 58 10.061 3.117 3.246 1.00 0.00 ATOM 461 CG2 VAL 58 12.268 4.216 3.341 1.00 0.00 ATOM 462 O VAL 58 7.963 5.151 2.278 1.00 0.00 ATOM 463 C VAL 58 8.694 5.582 3.170 1.00 0.00 ATOM 464 N ALA 59 8.227 6.040 4.327 1.00 0.00 ATOM 465 CA ALA 59 6.802 6.058 4.608 1.00 0.00 ATOM 466 CB ALA 59 6.539 6.649 5.984 1.00 0.00 ATOM 467 O ALA 59 5.033 6.490 3.026 1.00 0.00 ATOM 468 C ALA 59 6.053 6.918 3.568 1.00 0.00 ATOM 469 N ILE 60 6.564 8.114 3.300 1.00 0.00 ATOM 470 CA ILE 60 5.936 9.005 2.331 1.00 0.00 ATOM 471 CB ILE 60 6.591 10.399 2.342 1.00 0.00 ATOM 472 CG1 ILE 60 6.312 11.110 3.667 1.00 0.00 ATOM 473 CG2 ILE 60 6.042 11.254 1.210 1.00 0.00 ATOM 474 CD1 ILE 60 7.130 12.368 3.868 1.00 0.00 ATOM 475 O ILE 60 5.016 8.398 0.198 1.00 0.00 ATOM 476 C ILE 60 6.010 8.414 0.924 1.00 0.00 ATOM 477 N GLU 61 7.188 7.930 0.543 1.00 0.00 ATOM 478 CA GLU 61 7.372 7.341 -0.779 1.00 0.00 ATOM 479 CB GLU 61 8.812 6.851 -0.946 1.00 0.00 ATOM 480 CG GLU 61 9.842 7.966 -1.020 1.00 0.00 ATOM 481 CD GLU 61 11.264 7.443 -1.062 1.00 0.00 ATOM 482 OE1 GLU 61 11.448 6.212 -0.959 1.00 0.00 ATOM 483 OE2 GLU 61 12.195 8.265 -1.199 1.00 0.00 ATOM 484 O GLU 61 5.847 6.004 -2.061 1.00 0.00 ATOM 485 C GLU 61 6.437 6.155 -0.990 1.00 0.00 ATOM 486 N LYS 62 6.302 5.315 0.030 1.00 0.00 ATOM 487 CA LYS 62 5.425 4.137 -0.058 1.00 0.00 ATOM 488 CB LYS 62 5.469 3.344 1.250 1.00 0.00 ATOM 489 CG LYS 62 4.613 2.086 1.244 1.00 0.00 ATOM 490 CD LYS 62 4.758 1.312 2.543 1.00 0.00 ATOM 491 CE LYS 62 3.866 0.082 2.555 1.00 0.00 ATOM 492 NZ LYS 62 3.981 -0.673 3.834 1.00 0.00 ATOM 493 O LYS 62 3.262 3.933 -1.098 1.00 0.00 ATOM 494 C LYS 62 3.974 4.532 -0.274 1.00 0.00 ATOM 495 N GLN 63 3.517 5.558 0.447 1.00 0.00 ATOM 496 CA GLN 63 2.147 6.025 0.277 1.00 0.00 ATOM 497 CB GLN 63 1.884 7.211 1.209 1.00 0.00 ATOM 498 CG GLN 63 1.859 6.846 2.685 1.00 0.00 ATOM 499 CD GLN 63 0.754 5.864 3.023 1.00 0.00 ATOM 500 OE1 GLN 63 -0.384 6.018 2.578 1.00 0.00 ATOM 501 NE2 GLN 63 1.087 4.850 3.811 1.00 0.00 ATOM 502 O GLN 63 0.905 6.135 -1.767 1.00 0.00 ATOM 503 C GLN 63 1.922 6.469 -1.158 1.00 0.00 ATOM 504 N MET 64 2.874 7.221 -1.702 1.00 0.00 ATOM 505 CA MET 64 2.765 7.702 -3.074 1.00 0.00 ATOM 506 CB MET 64 3.940 8.612 -3.441 1.00 0.00 ATOM 507 CG MET 64 3.840 9.224 -4.829 1.00 0.00 ATOM 508 SD MET 64 2.408 10.302 -5.012 1.00 0.00 ATOM 509 CE MET 64 2.915 11.710 -4.030 1.00 0.00 ATOM 510 O MET 64 1.946 6.515 -4.982 1.00 0.00 ATOM 511 C MET 64 2.742 6.526 -4.047 1.00 0.00 ATOM 512 N LYS 65 3.613 5.547 -3.830 1.00 0.00 ATOM 513 CA LYS 65 3.653 4.372 -4.701 1.00 0.00 ATOM 514 CB LYS 65 4.778 3.427 -4.274 1.00 0.00 ATOM 515 CG LYS 65 4.927 2.200 -5.157 1.00 0.00 ATOM 516 CD LYS 65 6.104 1.344 -4.721 1.00 0.00 ATOM 517 CE LYS 65 6.222 0.090 -5.574 1.00 0.00 ATOM 518 NZ LYS 65 7.359 -0.770 -5.142 1.00 0.00 ATOM 519 O LYS 65 1.715 3.297 -5.653 1.00 0.00 ATOM 520 C LYS 65 2.299 3.639 -4.624 1.00 0.00 ATOM 521 N SER 66 1.812 3.406 -3.408 1.00 0.00 ATOM 522 CA SER 66 0.538 2.722 -3.224 1.00 0.00 ATOM 523 CB SER 66 0.293 2.444 -1.734 1.00 0.00 ATOM 524 OG SER 66 0.235 3.640 -0.991 1.00 0.00 ATOM 525 O SER 66 -1.534 2.947 -4.411 1.00 0.00 ATOM 526 C SER 66 -0.603 3.520 -3.846 1.00 0.00 ATOM 527 N ALA 67 -0.528 4.843 -3.741 1.00 0.00 ATOM 528 CA ALA 67 -1.564 5.708 -4.303 1.00 0.00 ATOM 529 CB ALA 67 -1.283 7.166 -3.969 1.00 0.00 ATOM 530 O ALA 67 -2.690 5.469 -6.407 1.00 0.00 ATOM 531 C ALA 67 -1.613 5.572 -5.821 1.00 0.00 ATOM 532 N MET 68 -0.446 5.594 -6.457 1.00 0.00 ATOM 533 CA MET 68 -0.373 5.469 -7.908 1.00 0.00 ATOM 534 CB MET 68 1.081 5.679 -8.391 1.00 0.00 ATOM 535 CG MET 68 1.622 7.081 -8.179 1.00 0.00 ATOM 536 SD MET 68 3.198 7.340 -9.008 1.00 0.00 ATOM 537 CE MET 68 4.368 6.628 -7.803 1.00 0.00 ATOM 538 O MET 68 -1.537 4.017 -9.423 1.00 0.00 ATOM 539 C MET 68 -0.899 4.116 -8.374 1.00 0.00 ATOM 540 N LYS 69 -0.632 3.073 -7.594 1.00 0.00 ATOM 541 CA LYS 69 -1.088 1.733 -7.941 1.00 0.00 ATOM 542 CB LYS 69 -0.555 0.701 -6.936 1.00 0.00 ATOM 543 CG LYS 69 -0.803 -0.717 -7.333 1.00 0.00 ATOM 544 CD LYS 69 -0.243 -1.693 -6.307 1.00 0.00 ATOM 545 CE LYS 69 -0.702 -3.087 -6.624 1.00 0.00 ATOM 546 NZ LYS 69 0.060 -3.578 -7.786 1.00 0.00 ATOM 547 O LYS 69 -3.183 1.114 -8.926 1.00 0.00 ATOM 548 C LYS 69 -2.601 1.672 -8.008 1.00 0.00 ATOM 549 N GLU 70 -3.249 2.251 -6.991 1.00 0.00 ATOM 550 CA GLU 70 -4.709 2.274 -6.994 1.00 0.00 ATOM 551 CB GLU 70 -5.236 3.001 -5.755 1.00 0.00 ATOM 552 CG GLU 70 -5.007 2.255 -4.451 1.00 0.00 ATOM 553 CD GLU 70 -5.657 0.884 -4.443 1.00 0.00 ATOM 554 OE1 GLU 70 -6.867 0.798 -4.740 1.00 0.00 ATOM 555 OE2 GLU 70 -4.954 -0.104 -4.142 1.00 0.00 ATOM 556 O GLU 70 -6.310 2.616 -8.750 1.00 0.00 ATOM 557 C GLU 70 -5.254 2.986 -8.232 1.00 0.00 ATOM 558 N LEU 71 -4.561 4.008 -8.685 1.00 0.00 ATOM 559 CA LEU 71 -4.923 4.794 -9.862 1.00 0.00 ATOM 560 CB LEU 71 -4.239 6.162 -9.824 1.00 0.00 ATOM 561 CG LEU 71 -4.638 7.089 -8.674 1.00 0.00 ATOM 562 CD1 LEU 71 -3.807 8.362 -8.697 1.00 0.00 ATOM 563 CD2 LEU 71 -6.106 7.476 -8.779 1.00 0.00 ATOM 564 O LEU 71 -4.931 4.668 -12.250 1.00 0.00 ATOM 565 C LEU 71 -4.545 4.145 -11.178 1.00 0.00 ATOM 566 N GLY 72 -3.792 3.033 -11.141 1.00 0.00 ATOM 567 CA GLY 72 -3.431 2.378 -12.397 1.00 0.00 ATOM 568 O GLY 72 -2.011 2.682 -14.273 1.00 0.00 ATOM 569 C GLY 72 -2.207 2.903 -13.067 1.00 0.00 ATOM 570 N ILE 73 -1.314 3.566 -12.348 1.00 0.00 ATOM 571 CA ILE 73 -0.176 4.189 -13.011 1.00 0.00 ATOM 572 CB ILE 73 0.514 5.161 -12.080 1.00 0.00 ATOM 573 CG1 ILE 73 -0.429 6.323 -11.789 1.00 0.00 ATOM 574 CG2 ILE 73 1.790 5.660 -12.713 1.00 0.00 ATOM 575 CD1 ILE 73 0.123 7.299 -10.802 1.00 0.00 ATOM 576 O ILE 73 1.147 2.213 -12.656 1.00 0.00 ATOM 577 C ILE 73 0.826 3.107 -13.433 1.00 0.00 ATOM 578 N THR 74 1.336 3.185 -14.673 1.00 0.00 ATOM 579 CA THR 74 2.303 2.204 -15.169 1.00 0.00 ATOM 580 CB THR 74 2.826 2.584 -16.567 1.00 0.00 ATOM 581 CG2 THR 74 3.799 1.531 -17.077 1.00 0.00 ATOM 582 OG1 THR 74 1.729 2.682 -17.481 1.00 0.00 ATOM 583 O THR 74 3.796 3.127 -13.534 1.00 0.00 ATOM 584 C THR 74 3.460 2.133 -14.178 1.00 0.00 ATOM 585 N LYS 75 4.047 0.949 -14.034 1.00 0.00 ATOM 586 CA LYS 75 5.174 0.762 -13.110 1.00 0.00 ATOM 587 CB LYS 75 5.670 -0.684 -13.148 1.00 0.00 ATOM 588 CG LYS 75 4.728 -1.682 -12.494 1.00 0.00 ATOM 589 CD LYS 75 5.278 -3.098 -12.576 1.00 0.00 ATOM 590 CE LYS 75 4.334 -4.095 -11.925 1.00 0.00 ATOM 591 NZ LYS 75 4.846 -5.490 -12.025 1.00 0.00 ATOM 592 O LYS 75 7.039 2.159 -12.528 1.00 0.00 ATOM 593 C LYS 75 6.353 1.679 -13.432 1.00 0.00 ATOM 594 N GLU 76 6.610 1.887 -14.719 1.00 0.00 ATOM 595 CA GLU 76 7.711 2.746 -15.141 1.00 0.00 ATOM 596 CB GLU 76 7.913 2.675 -16.655 1.00 0.00 ATOM 597 CG GLU 76 8.427 1.334 -17.150 1.00 0.00 ATOM 598 CD GLU 76 8.528 1.270 -18.663 1.00 0.00 ATOM 599 OE1 GLU 76 8.137 2.254 -19.326 1.00 0.00 ATOM 600 OE2 GLU 76 8.998 0.236 -19.183 1.00 0.00 ATOM 601 O GLU 76 8.402 4.829 -14.154 1.00 0.00 ATOM 602 C GLU 76 7.486 4.178 -14.650 1.00 0.00 ATOM 603 N GLU 77 6.259 4.672 -14.800 1.00 0.00 ATOM 604 CA GLU 77 5.922 6.017 -14.364 1.00 0.00 ATOM 605 CB GLU 77 4.505 6.391 -14.804 1.00 0.00 ATOM 606 CG GLU 77 4.319 6.450 -16.312 1.00 0.00 ATOM 607 CD GLU 77 2.889 6.754 -16.711 1.00 0.00 ATOM 608 OE1 GLU 77 2.039 6.906 -15.808 1.00 0.00 ATOM 609 OE2 GLU 77 2.618 6.840 -17.928 1.00 0.00 ATOM 610 O GLU 77 6.532 7.133 -12.319 1.00 0.00 ATOM 611 C GLU 77 6.040 6.132 -12.840 1.00 0.00 ATOM 612 N ILE 78 5.601 5.098 -12.125 1.00 0.00 ATOM 613 CA ILE 78 5.758 5.106 -10.669 1.00 0.00 ATOM 614 CB ILE 78 5.176 3.816 -10.063 1.00 0.00 ATOM 615 CG1 ILE 78 3.665 3.754 -10.290 1.00 0.00 ATOM 616 CG2 ILE 78 5.442 3.763 -8.566 1.00 0.00 ATOM 617 CD1 ILE 78 3.052 2.409 -9.965 1.00 0.00 ATOM 618 O ILE 78 7.607 5.861 -9.321 1.00 0.00 ATOM 619 C ILE 78 7.238 5.194 -10.290 1.00 0.00 ATOM 620 N ALA 79 8.082 4.479 -11.038 1.00 0.00 ATOM 621 CA ALA 79 9.514 4.517 -10.764 1.00 0.00 ATOM 622 CB ALA 79 10.282 3.690 -11.783 1.00 0.00 ATOM 623 O ALA 79 10.752 6.394 -9.954 1.00 0.00 ATOM 624 C ALA 79 10.006 5.954 -10.829 1.00 0.00 ATOM 625 N ASP 80 9.564 6.693 -11.838 1.00 0.00 ATOM 626 CA ASP 80 9.976 8.084 -11.989 1.00 0.00 ATOM 627 CB ASP 80 9.511 8.636 -13.338 1.00 0.00 ATOM 628 CG ASP 80 10.296 8.064 -14.503 1.00 0.00 ATOM 629 OD1 ASP 80 11.350 7.440 -14.260 1.00 0.00 ATOM 630 OD2 ASP 80 9.857 8.242 -15.659 1.00 0.00 ATOM 631 O ASP 80 10.097 9.794 -10.312 1.00 0.00 ATOM 632 C ASP 80 9.400 8.948 -10.873 1.00 0.00 ATOM 633 N VAL 81 8.128 8.734 -10.552 1.00 0.00 ATOM 634 CA VAL 81 7.476 9.501 -9.499 1.00 0.00 ATOM 635 CB VAL 81 6.001 9.097 -9.318 1.00 0.00 ATOM 636 CG1 VAL 81 5.403 9.789 -8.104 1.00 0.00 ATOM 637 CG2 VAL 81 5.188 9.485 -10.542 1.00 0.00 ATOM 638 O VAL 81 8.411 10.286 -7.444 1.00 0.00 ATOM 639 C VAL 81 8.201 9.323 -8.183 1.00 0.00 ATOM 640 N LEU 82 8.588 8.088 -7.884 1.00 0.00 ATOM 641 CA LEU 82 9.297 7.796 -6.644 1.00 0.00 ATOM 642 CB LEU 82 9.500 6.299 -6.478 1.00 0.00 ATOM 643 CG LEU 82 8.285 5.503 -5.978 1.00 0.00 ATOM 644 CD1 LEU 82 8.467 4.017 -6.179 1.00 0.00 ATOM 645 CD2 LEU 82 8.075 5.818 -4.496 1.00 0.00 ATOM 646 O LEU 82 11.087 9.006 -5.635 1.00 0.00 ATOM 647 C LEU 82 10.666 8.488 -6.648 1.00 0.00 ATOM 648 N ARG 83 11.366 8.441 -7.782 1.00 0.00 ATOM 649 CA ARG 83 12.632 9.148 -7.875 1.00 0.00 ATOM 650 CB ARG 83 13.341 8.809 -9.170 1.00 0.00 ATOM 651 CG ARG 83 13.957 7.418 -9.179 1.00 0.00 ATOM 652 CD ARG 83 14.550 7.023 -10.519 1.00 0.00 ATOM 653 NE ARG 83 14.996 5.629 -10.537 1.00 0.00 ATOM 654 CZ ARG 83 14.955 4.839 -11.608 1.00 0.00 ATOM 655 NH1 ARG 83 14.482 5.295 -12.763 1.00 0.00 ATOM 656 NH2 ARG 83 15.385 3.587 -11.525 1.00 0.00 ATOM 657 O ARG 83 13.225 11.270 -6.923 1.00 0.00 ATOM 658 C ARG 83 12.438 10.642 -7.628 1.00 0.00 ATOM 659 N VAL 84 11.359 11.216 -8.191 1.00 0.00 ATOM 660 CA VAL 84 11.056 12.630 -7.983 1.00 0.00 ATOM 661 CB VAL 84 9.868 13.088 -8.780 1.00 0.00 ATOM 662 CG1 VAL 84 9.491 14.529 -8.418 1.00 0.00 ATOM 663 CG2 VAL 84 10.252 13.027 -10.239 1.00 0.00 ATOM 664 O VAL 84 11.288 13.847 -5.929 1.00 0.00 ATOM 665 C VAL 84 10.801 12.870 -6.499 1.00 0.00 ATOM 666 N VAL 85 10.064 11.961 -5.869 1.00 0.00 ATOM 667 CA VAL 85 9.786 12.067 -4.435 1.00 0.00 ATOM 668 CB VAL 85 8.770 11.026 -4.032 1.00 0.00 ATOM 669 CG1 VAL 85 8.547 11.067 -2.541 1.00 0.00 ATOM 670 CG2 VAL 85 7.475 11.305 -4.761 1.00 0.00 ATOM 671 O VAL 85 11.287 12.686 -2.665 1.00 0.00 ATOM 672 C VAL 85 11.080 11.947 -3.624 1.00 0.00 ATOM 673 N LEU 86 11.936 11.023 -3.998 1.00 0.00 ATOM 674 CA LEU 86 13.218 10.811 -3.318 1.00 0.00 ATOM 675 CB LEU 86 13.967 9.630 -3.940 1.00 0.00 ATOM 676 CG LEU 86 15.326 9.291 -3.326 1.00 0.00 ATOM 677 CD1 LEU 86 15.177 8.910 -1.862 1.00 0.00 ATOM 678 CD2 LEU 86 15.971 8.123 -4.058 1.00 0.00 ATOM 679 O LEU 86 14.699 12.460 -2.383 1.00 0.00 ATOM 680 C LEU 86 14.098 12.065 -3.383 1.00 0.00 ATOM 681 N LEU 87 14.217 12.649 -4.572 1.00 0.00 ATOM 682 CA LEU 87 15.028 13.849 -4.745 1.00 0.00 ATOM 683 CB LEU 87 14.953 14.349 -6.194 1.00 0.00 ATOM 684 CG LEU 87 15.814 13.461 -7.111 1.00 0.00 ATOM 685 CD1 LEU 87 15.513 13.762 -8.590 1.00 0.00 ATOM 686 CD2 LEU 87 17.317 13.703 -6.899 1.00 0.00 ATOM 687 O LEU 87 15.268 15.674 -3.215 1.00 0.00 ATOM 688 C LEU 87 14.493 14.995 -3.913 1.00 0.00 ATOM 689 N THR 88 13.181 15.183 -3.891 1.00 0.00 ATOM 690 CA THR 88 12.576 16.213 -3.023 1.00 0.00 ATOM 691 CB THR 88 11.042 16.251 -3.269 1.00 0.00 ATOM 692 CG2 THR 88 10.404 17.375 -2.484 1.00 0.00 ATOM 693 OG1 THR 88 10.821 16.505 -4.661 1.00 0.00 ATOM 694 O THR 88 13.303 16.892 -0.825 1.00 0.00 ATOM 695 C THR 88 12.916 15.959 -1.569 1.00 0.00 ATOM 696 N SER 89 12.793 14.713 -1.094 1.00 0.00 ATOM 697 CA SER 89 13.107 14.393 0.284 1.00 0.00 ATOM 698 CB SER 89 12.887 12.903 0.552 1.00 0.00 ATOM 699 OG SER 89 11.513 12.566 0.457 1.00 0.00 ATOM 700 O SER 89 14.871 15.346 1.619 1.00 0.00 ATOM 701 C SER 89 14.562 14.749 0.572 1.00 0.00 ATOM 702 N GLY 90 15.499 14.358 -0.277 1.00 0.00 ATOM 703 CA GLY 90 16.907 14.730 -0.097 1.00 0.00 ATOM 704 O GLY 90 17.148 12.903 1.479 1.00 0.00 ATOM 705 C GLY 90 17.673 13.832 0.873 1.00 0.00 ATOM 706 N MET 91 19.103 14.178 0.940 1.00 0.00 ATOM 707 CA MET 91 19.972 13.289 1.700 1.00 0.00 ATOM 708 CB MET 91 21.428 13.747 1.598 1.00 0.00 ATOM 709 CG MET 91 22.041 13.565 0.221 1.00 0.00 ATOM 710 SD MET 91 23.721 14.213 0.114 1.00 0.00 ATOM 711 CE MET 91 24.609 13.020 1.111 1.00 0.00 ATOM 712 O MET 91 19.552 12.239 3.830 1.00 0.00 ATOM 713 C MET 91 19.590 13.295 3.192 1.00 0.00 ATOM 714 N PRO 92 19.286 14.468 3.742 1.00 0.00 ATOM 715 CA PRO 92 18.928 14.514 5.155 1.00 0.00 ATOM 716 CB PRO 92 18.736 16.006 5.442 1.00 0.00 ATOM 717 CG PRO 92 19.647 16.690 4.478 1.00 0.00 ATOM 718 CD PRO 92 19.576 15.899 3.202 1.00 0.00 ATOM 719 O PRO 92 17.689 12.944 6.436 1.00 0.00 ATOM 720 C PRO 92 17.682 13.713 5.484 1.00 0.00 ATOM 721 N ALA 93 16.611 13.892 4.734 1.00 0.00 ATOM 722 CA ALA 93 15.360 13.184 5.001 1.00 0.00 ATOM 723 CB ALA 93 14.224 13.667 4.111 1.00 0.00 ATOM 724 O ALA 93 15.021 10.910 5.602 1.00 0.00 ATOM 725 C ALA 93 15.538 11.664 4.818 1.00 0.00 ATOM 726 N PHE 94 16.303 11.260 3.808 1.00 0.00 ATOM 727 CA PHE 94 16.539 9.845 3.542 1.00 0.00 ATOM 728 CB PHE 94 17.370 9.717 2.278 1.00 0.00 ATOM 729 CG PHE 94 17.695 8.295 1.922 1.00 0.00 ATOM 730 CD1 PHE 94 16.780 7.544 1.192 1.00 0.00 ATOM 731 CD2 PHE 94 18.894 7.720 2.282 1.00 0.00 ATOM 732 CE1 PHE 94 17.097 6.236 0.856 1.00 0.00 ATOM 733 CE2 PHE 94 19.225 6.419 1.968 1.00 0.00 ATOM 734 CZ PHE 94 18.298 5.680 1.240 1.00 0.00 ATOM 735 O PHE 94 16.884 8.163 5.219 1.00 0.00 ATOM 736 C PHE 94 17.283 9.212 4.716 1.00 0.00 ATOM 737 N THR 95 18.372 9.860 5.178 1.00 0.00 ATOM 738 CA THR 95 19.153 9.352 6.301 1.00 0.00 ATOM 739 CB THR 95 20.403 10.206 6.576 1.00 0.00 ATOM 740 CG2 THR 95 21.201 9.626 7.733 1.00 0.00 ATOM 741 OG1 THR 95 21.233 10.234 5.408 1.00 0.00 ATOM 742 O THR 95 18.271 8.268 8.253 1.00 0.00 ATOM 743 C THR 95 18.286 9.283 7.556 1.00 0.00 ATOM 744 N LYS 96 17.530 10.340 7.834 1.00 0.00 ATOM 745 CA LYS 96 16.657 10.372 9.002 1.00 0.00 ATOM 746 CB LYS 96 16.145 11.806 9.284 1.00 0.00 ATOM 747 CG LYS 96 17.248 12.743 9.765 1.00 0.00 ATOM 748 CD LYS 96 16.708 14.100 10.137 1.00 0.00 ATOM 749 CE LYS 96 17.830 15.041 10.542 1.00 0.00 ATOM 750 NZ LYS 96 17.285 16.397 10.848 1.00 0.00 ATOM 751 O LYS 96 15.151 8.725 9.881 1.00 0.00 ATOM 752 C LYS 96 15.520 9.362 8.893 1.00 0.00 ATOM 753 N ALA 97 14.986 9.195 7.688 1.00 0.00 ATOM 754 CA ALA 97 13.898 8.259 7.472 1.00 0.00 ATOM 755 CB ALA 97 13.365 8.385 6.052 1.00 0.00 ATOM 756 O ALA 97 13.564 6.004 8.123 1.00 0.00 ATOM 757 C ALA 97 14.359 6.828 7.656 1.00 0.00 ATOM 758 N MET 98 15.585 6.509 7.262 1.00 0.00 ATOM 759 CA MET 98 16.100 5.154 7.422 1.00 0.00 ATOM 760 CB MET 98 17.525 5.054 6.874 1.00 0.00 ATOM 761 CG MET 98 17.614 5.124 5.358 1.00 0.00 ATOM 762 SD MET 98 16.766 3.753 4.549 1.00 0.00 ATOM 763 CE MET 98 17.820 2.382 5.012 1.00 0.00 ATOM 764 O MET 98 15.499 3.806 9.314 1.00 0.00 ATOM 765 C MET 98 16.100 4.799 8.886 1.00 0.00 ATOM 766 N LYS 99 16.686 5.660 9.705 1.00 0.00 ATOM 767 CA LYS 99 16.678 5.409 11.147 1.00 0.00 ATOM 768 CB LYS 99 17.474 6.489 11.882 1.00 0.00 ATOM 769 CG LYS 99 18.973 6.431 11.638 1.00 0.00 ATOM 770 CD LYS 99 19.700 7.527 12.399 1.00 0.00 ATOM 771 CE LYS 99 21.196 7.484 12.134 1.00 0.00 ATOM 772 NZ LYS 99 21.918 8.574 12.848 1.00 0.00 ATOM 773 O LYS 99 14.824 4.481 12.404 1.00 0.00 ATOM 774 C LYS 99 15.229 5.409 11.683 1.00 0.00 ATOM 775 N ILE 100 14.400 6.331 11.233 1.00 0.00 ATOM 776 CA ILE 100 13.012 6.415 11.681 1.00 0.00 ATOM 777 CB ILE 100 12.335 7.703 11.178 1.00 0.00 ATOM 778 CG1 ILE 100 12.954 8.930 11.849 1.00 0.00 ATOM 779 CG2 ILE 100 10.847 7.681 11.493 1.00 0.00 ATOM 780 CD1 ILE 100 12.535 10.244 11.227 1.00 0.00 ATOM 781 O ILE 100 11.347 4.683 11.879 1.00 0.00 ATOM 782 C ILE 100 12.189 5.215 11.152 1.00 0.00 ATOM 783 N LEU 101 12.400 4.878 9.894 1.00 0.00 ATOM 784 CA LEU 101 11.722 3.718 9.289 1.00 0.00 ATOM 785 CB LEU 101 12.215 3.370 7.937 1.00 0.00 ATOM 786 CG LEU 101 11.589 2.137 7.292 1.00 0.00 ATOM 787 CD1 LEU 101 10.091 2.369 7.094 1.00 0.00 ATOM 788 CD2 LEU 101 12.276 1.782 5.981 1.00 0.00 ATOM 789 O LEU 101 11.062 1.707 10.417 1.00 0.00 ATOM 790 C LEU 101 11.987 2.457 10.105 1.00 0.00 ATOM 791 N GLU 102 13.250 2.226 10.448 1.00 0.00 ATOM 792 CA GLU 102 13.617 1.051 11.229 1.00 0.00 ATOM 793 CB GLU 102 15.140 0.915 11.303 1.00 0.00 ATOM 794 CG GLU 102 15.793 0.534 9.983 1.00 0.00 ATOM 795 CD GLU 102 17.306 0.498 10.072 1.00 0.00 ATOM 796 OE1 GLU 102 17.847 0.832 11.147 1.00 0.00 ATOM 797 OE2 GLU 102 17.951 0.136 9.065 1.00 0.00 ATOM 798 O GLU 102 12.837 0.073 13.214 1.00 0.00 ATOM 799 C GLU 102 13.086 1.106 12.637 1.00 0.00 ATOM 800 N LYS 103 12.883 2.287 13.189 1.00 0.00 ATOM 801 CA LYS 103 12.249 2.370 14.527 1.00 0.00 ATOM 802 CB LYS 103 12.447 3.772 15.110 1.00 0.00 ATOM 803 CG LYS 103 11.839 3.947 16.492 1.00 0.00 ATOM 804 CD LYS 103 12.143 5.325 17.066 1.00 0.00 ATOM 805 CE LYS 103 11.471 5.527 18.418 1.00 0.00 ATOM 806 NZ LYS 103 9.984 5.457 18.310 1.00 0.00 ATOM 807 O LYS 103 10.263 1.243 15.296 1.00 0.00 ATOM 808 C LYS 103 10.768 1.990 14.455 1.00 0.00 ATOM 809 N LEU 104 10.072 2.516 13.452 1.00 0.00 ATOM 810 CA LEU 104 8.655 2.216 13.283 1.00 0.00 ATOM 811 CB LEU 104 8.069 2.996 12.104 1.00 0.00 ATOM 812 CG LEU 104 8.184 4.519 12.174 1.00 0.00 ATOM 813 CD1 LEU 104 7.676 5.157 10.891 1.00 0.00 ATOM 814 CD2 LEU 104 7.366 5.067 13.334 1.00 0.00 ATOM 815 O LEU 104 7.581 0.048 13.586 1.00 0.00 ATOM 816 C LEU 104 8.463 0.702 13.027 1.00 0.00 TER END