PFRMAT TS TARGET T0409 AUTHOR 4008-1775-0004 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 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 O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD 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 One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. 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 which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. 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. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD METHOD The models for T0409 come primarily from our own methods---even the METHOD meta-server model is based mainly on SAM-T08-server_TS1 METHOD METHOD The core barrel domain did not vary much, and I never got really convincing METHOD models for the N-terminal helices. METHOD METHOD Model METHOD 1 T0409.try3-opt3.pdb optimized from our own models METHOD 2 T0409.MQAC1-opt3.pdb metaserver model, based mainly on SAM-T08-server_TS1 METHOD 3 T0409.try1-opt3.gromacs0.pdb initial, automatic model, tweaked with gromacs ot reduce clashes METHOD 4 T0409.undertaker-align.pdb model 1 # T0409-1q46A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5 METHOD 5 T0409.undertaker-align.pdb model 2 # T0409-2a19A-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5 METHOD REMARK 6 REMARK 6 T0409 model 3 Fri Jun 6 05:29:56 2008 MODEL 3 PARENT N/A ATOM 1 N TYR 1 3.103 25.187 24.560 1.00 0.00 ATOM 2 CA TYR 1 2.216 26.287 24.144 1.00 0.00 ATOM 3 CB TYR 1 1.976 27.242 25.293 1.00 0.00 ATOM 4 CG TYR 1 1.011 28.386 25.072 1.00 0.00 ATOM 5 CD1 TYR 1 -0.342 28.141 24.926 1.00 0.00 ATOM 6 CD2 TYR 1 1.492 29.677 25.029 1.00 0.00 ATOM 7 CE1 TYR 1 -1.208 29.204 24.723 1.00 0.00 ATOM 8 CE2 TYR 1 0.624 30.748 24.846 1.00 0.00 ATOM 9 CZ TYR 1 -0.737 30.511 24.692 1.00 0.00 ATOM 10 OH TYR 1 -1.586 31.540 24.450 1.00 0.00 ATOM 11 O TYR 1 3.994 26.919 22.651 1.00 0.00 ATOM 12 C TYR 1 2.835 27.111 23.019 1.00 0.00 ATOM 13 N ARG 2 1.940 27.789 22.305 1.00 0.00 ATOM 14 CA ARG 2 2.277 28.599 21.125 1.00 0.00 ATOM 15 CB ARG 2 1.004 28.870 20.337 1.00 0.00 ATOM 16 CG ARG 2 1.292 29.506 18.972 1.00 0.00 ATOM 17 CD ARG 2 1.630 30.997 18.954 1.00 0.00 ATOM 18 NE ARG 2 0.402 31.808 18.958 1.00 0.00 ATOM 19 CZ ARG 2 0.012 32.599 19.952 1.00 0.00 ATOM 20 NH1 ARG 2 0.668 32.676 21.100 1.00 0.00 ATOM 21 NH2 ARG 2 -1.025 33.382 19.781 1.00 0.00 ATOM 22 O ARG 2 2.328 30.606 22.422 1.00 0.00 ATOM 23 C ARG 2 2.903 29.910 21.604 1.00 0.00 ATOM 24 N GLY 3 3.952 30.313 20.890 1.00 0.00 ATOM 25 CA GLY 3 4.658 31.575 21.189 1.00 0.00 ATOM 26 O GLY 3 5.459 32.793 23.043 1.00 0.00 ATOM 27 C GLY 3 5.247 31.663 22.625 1.00 0.00 ATOM 28 N PRO 4 5.734 30.560 23.239 1.00 0.00 ATOM 29 CA PRO 4 6.375 30.609 24.561 1.00 0.00 ATOM 30 CB PRO 4 6.689 29.163 24.916 1.00 0.00 ATOM 31 CG PRO 4 6.811 28.431 23.603 1.00 0.00 ATOM 32 CD PRO 4 5.792 29.174 22.761 1.00 0.00 ATOM 33 O PRO 4 7.930 32.097 25.601 1.00 0.00 ATOM 34 C PRO 4 7.655 31.469 24.589 1.00 0.00 ATOM 35 N GLU 5 8.343 31.541 23.452 1.00 0.00 ATOM 36 CA GLU 5 9.545 32.393 23.257 1.00 0.00 ATOM 37 CB GLU 5 9.917 32.592 21.783 1.00 0.00 ATOM 38 CG GLU 5 11.255 33.196 21.414 1.00 0.00 ATOM 39 CD GLU 5 11.136 33.780 19.998 1.00 0.00 ATOM 40 OE1 GLU 5 10.343 34.732 19.942 1.00 0.00 ATOM 41 OE2 GLU 5 11.666 33.260 19.005 1.00 0.00 ATOM 42 O GLU 5 9.985 34.481 24.372 1.00 0.00 ATOM 43 C GLU 5 9.218 33.828 23.679 1.00 0.00 ATOM 44 N ALA 6 8.121 34.297 23.090 1.00 0.00 ATOM 45 CA ALA 6 7.699 35.685 23.230 1.00 0.00 ATOM 46 CB ALA 6 6.643 35.941 22.180 1.00 0.00 ATOM 47 O ALA 6 6.760 35.014 25.360 1.00 0.00 ATOM 48 C ALA 6 7.153 35.927 24.628 1.00 0.00 ATOM 49 N PHE 7 7.094 37.207 24.942 1.00 0.00 ATOM 50 CA PHE 7 6.551 37.666 26.233 1.00 0.00 ATOM 51 CB PHE 7 7.189 38.992 26.628 1.00 0.00 ATOM 52 CG PHE 7 8.665 38.872 26.952 1.00 0.00 ATOM 53 CD1 PHE 7 9.583 39.190 25.969 1.00 0.00 ATOM 54 CD2 PHE 7 9.063 38.502 28.230 1.00 0.00 ATOM 55 CE1 PHE 7 10.935 39.136 26.264 1.00 0.00 ATOM 56 CE2 PHE 7 10.412 38.444 28.512 1.00 0.00 ATOM 57 CZ PHE 7 11.339 38.763 27.535 1.00 0.00 ATOM 58 O PHE 7 4.575 38.819 25.534 1.00 0.00 ATOM 59 C PHE 7 5.045 37.844 26.119 1.00 0.00 ATOM 60 N LEU 8 4.308 36.789 26.424 1.00 0.00 ATOM 61 CA LEU 8 2.837 36.909 26.327 1.00 0.00 ATOM 62 CB LEU 8 2.208 35.522 26.232 1.00 0.00 ATOM 63 CG LEU 8 0.722 35.363 26.442 1.00 0.00 ATOM 64 CD1 LEU 8 0.252 35.754 25.060 1.00 0.00 ATOM 65 CD2 LEU 8 0.345 33.926 26.788 1.00 0.00 ATOM 66 O LEU 8 1.258 38.531 27.096 1.00 0.00 ATOM 67 C LEU 8 2.205 37.813 27.398 1.00 0.00 ATOM 68 N LYS 9 2.744 37.779 28.619 1.00 0.00 ATOM 69 CA LYS 9 2.323 38.700 29.686 1.00 0.00 ATOM 70 CB LYS 9 1.162 38.091 30.470 1.00 0.00 ATOM 71 CG LYS 9 0.566 39.059 31.481 1.00 0.00 ATOM 72 CD LYS 9 -0.843 38.597 31.830 1.00 0.00 ATOM 73 CE LYS 9 -1.373 39.362 33.027 1.00 0.00 ATOM 74 NZ LYS 9 -2.778 39.026 33.213 1.00 0.00 ATOM 75 O LYS 9 4.460 38.164 30.643 1.00 0.00 ATOM 76 C LYS 9 3.505 38.939 30.615 1.00 0.00 ATOM 77 N LEU 10 3.423 40.063 31.290 1.00 0.00 ATOM 78 CA LEU 10 4.342 40.380 32.381 1.00 0.00 ATOM 79 CB LEU 10 5.119 41.661 32.062 1.00 0.00 ATOM 80 CG LEU 10 5.881 41.545 30.738 1.00 0.00 ATOM 81 CD1 LEU 10 6.485 42.906 30.429 1.00 0.00 ATOM 82 CD2 LEU 10 6.927 40.419 30.757 1.00 0.00 ATOM 83 O LEU 10 2.360 40.989 33.572 1.00 0.00 ATOM 84 C LEU 10 3.525 40.575 33.655 1.00 0.00 ATOM 85 N PRO 11 4.092 40.277 34.808 1.00 0.00 ATOM 86 CA PRO 11 3.406 40.527 36.063 1.00 0.00 ATOM 87 CB PRO 11 4.210 39.774 37.090 1.00 0.00 ATOM 88 CG PRO 11 5.146 38.819 36.334 1.00 0.00 ATOM 89 CD PRO 11 5.337 39.508 35.000 1.00 0.00 ATOM 90 O PRO 11 3.936 42.876 35.685 1.00 0.00 ATOM 91 C PRO 11 3.344 42.037 36.373 1.00 0.00 ATOM 92 N LYS 12 2.418 42.342 37.265 1.00 0.00 ATOM 93 CA LYS 12 2.062 43.732 37.610 1.00 0.00 ATOM 94 CB LYS 12 0.691 43.788 38.294 1.00 0.00 ATOM 95 CG LYS 12 -0.429 43.347 37.361 1.00 0.00 ATOM 96 CD LYS 12 -1.741 43.470 38.125 1.00 0.00 ATOM 97 CE LYS 12 -2.910 42.996 37.282 1.00 0.00 ATOM 98 NZ LYS 12 -4.140 43.075 38.077 1.00 0.00 ATOM 99 O LYS 12 2.980 45.734 38.482 1.00 0.00 ATOM 100 C LYS 12 3.059 44.510 38.473 1.00 0.00 ATOM 101 N ASP 13 3.979 43.788 39.118 1.00 0.00 ATOM 102 CA ASP 13 4.946 44.407 40.040 1.00 0.00 ATOM 103 CB ASP 13 5.152 43.532 41.276 1.00 0.00 ATOM 104 CG ASP 13 3.934 43.467 42.213 1.00 0.00 ATOM 105 OD1 ASP 13 2.970 44.257 42.037 1.00 0.00 ATOM 106 OD2 ASP 13 4.022 42.682 43.167 1.00 0.00 ATOM 107 O ASP 13 6.729 43.851 38.514 1.00 0.00 ATOM 108 C ASP 13 6.307 44.619 39.371 1.00 0.00 ATOM 109 N LEU 14 7.027 45.611 39.906 1.00 0.00 ATOM 110 CA LEU 14 8.410 45.890 39.477 1.00 0.00 ATOM 111 CB LEU 14 9.004 47.088 40.222 1.00 0.00 ATOM 112 CG LEU 14 8.294 48.414 39.995 1.00 0.00 ATOM 113 CD1 LEU 14 8.885 49.489 40.878 1.00 0.00 ATOM 114 CD2 LEU 14 8.542 48.924 38.596 1.00 0.00 ATOM 115 O LEU 14 10.080 44.263 38.894 1.00 0.00 ATOM 116 C LEU 14 9.313 44.687 39.739 1.00 0.00 ATOM 117 N LYS 15 9.068 44.040 40.876 1.00 0.00 ATOM 118 CA LYS 15 9.809 42.828 41.295 1.00 0.00 ATOM 119 CB LYS 15 9.286 42.325 42.636 1.00 0.00 ATOM 120 CG LYS 15 9.700 43.260 43.760 1.00 0.00 ATOM 121 CD LYS 15 9.205 42.671 45.062 1.00 0.00 ATOM 122 CE LYS 15 9.442 43.569 46.256 1.00 0.00 ATOM 123 NZ LYS 15 8.909 42.967 47.487 1.00 0.00 ATOM 124 O LYS 15 10.617 41.035 39.893 1.00 0.00 ATOM 125 C LYS 15 9.645 41.680 40.307 1.00 0.00 ATOM 126 N ASP 16 8.417 41.507 39.871 1.00 0.00 ATOM 127 CA ASP 16 8.080 40.428 38.957 1.00 0.00 ATOM 128 CB ASP 16 6.587 40.483 38.917 1.00 0.00 ATOM 129 CG ASP 16 5.808 39.886 40.085 1.00 0.00 ATOM 130 OD1 ASP 16 6.442 39.551 41.096 1.00 0.00 ATOM 131 OD2 ASP 16 4.562 39.945 40.006 1.00 0.00 ATOM 132 O ASP 16 9.292 39.805 36.968 1.00 0.00 ATOM 133 C ASP 16 8.647 40.670 37.559 1.00 0.00 ATOM 134 N ARG 17 8.506 41.924 37.108 1.00 0.00 ATOM 135 CA ARG 17 9.069 42.358 35.817 1.00 0.00 ATOM 136 CB ARG 17 8.642 43.782 35.482 1.00 0.00 ATOM 137 CG ARG 17 7.145 43.820 35.197 1.00 0.00 ATOM 138 CD ARG 17 6.823 45.255 34.840 1.00 0.00 ATOM 139 NE ARG 17 5.388 45.466 34.637 1.00 0.00 ATOM 140 CZ ARG 17 4.787 46.643 34.408 1.00 0.00 ATOM 141 NH1 ARG 17 3.498 46.767 34.205 1.00 0.00 ATOM 142 NH2 ARG 17 5.429 47.765 34.303 1.00 0.00 ATOM 143 O ARG 17 11.163 41.725 34.880 1.00 0.00 ATOM 144 C ARG 17 10.594 42.306 35.802 1.00 0.00 ATOM 145 N GLU 18 11.206 42.775 36.890 1.00 0.00 ATOM 146 CA GLU 18 12.667 42.775 37.064 1.00 0.00 ATOM 147 CB GLU 18 13.035 43.467 38.377 1.00 0.00 ATOM 148 CG GLU 18 14.545 43.464 38.708 1.00 0.00 ATOM 149 CD GLU 18 14.898 44.258 39.976 1.00 0.00 ATOM 150 OE1 GLU 18 13.985 44.803 40.636 1.00 0.00 ATOM 151 OE2 GLU 18 16.093 44.277 40.355 1.00 0.00 ATOM 152 O GLU 18 14.152 41.070 36.262 1.00 0.00 ATOM 153 C GLU 18 13.249 41.358 37.039 1.00 0.00 ATOM 154 N ALA 19 12.522 40.449 37.699 1.00 0.00 ATOM 155 CA ALA 19 12.935 39.034 37.799 1.00 0.00 ATOM 156 CB ALA 19 12.010 38.249 38.734 1.00 0.00 ATOM 157 O ALA 19 13.885 37.762 35.967 1.00 0.00 ATOM 158 C ALA 19 12.919 38.387 36.416 1.00 0.00 ATOM 159 N LEU 20 11.785 38.555 35.741 1.00 0.00 ATOM 160 CA LEU 20 11.607 37.993 34.386 1.00 0.00 ATOM 161 CB LEU 20 10.160 38.167 33.939 1.00 0.00 ATOM 162 CG LEU 20 9.214 37.261 34.728 1.00 0.00 ATOM 163 CD1 LEU 20 7.809 37.527 34.241 1.00 0.00 ATOM 164 CD2 LEU 20 9.519 35.799 34.450 1.00 0.00 ATOM 165 O LEU 20 13.240 37.840 32.639 1.00 0.00 ATOM 166 C LEU 20 12.587 38.594 33.374 1.00 0.00 ATOM 167 N GLN 21 12.811 39.896 33.444 1.00 0.00 ATOM 168 CA GLN 21 13.833 40.552 32.602 1.00 0.00 ATOM 169 CB GLN 21 13.903 42.051 32.852 1.00 0.00 ATOM 170 CG GLN 21 12.640 42.749 32.375 1.00 0.00 ATOM 171 CD GLN 21 12.713 44.244 32.679 1.00 0.00 ATOM 172 OE1 GLN 21 13.579 44.780 33.340 1.00 0.00 ATOM 173 NE2 GLN 21 11.712 44.948 32.235 1.00 0.00 ATOM 174 O GLN 21 15.891 39.650 31.843 1.00 0.00 ATOM 175 C GLN 21 15.234 39.981 32.829 1.00 0.00 ATOM 176 N ASP 22 15.548 39.680 34.091 1.00 0.00 ATOM 177 CA ASP 22 16.838 39.072 34.457 1.00 0.00 ATOM 178 CB ASP 22 17.017 38.994 35.978 1.00 0.00 ATOM 179 CG ASP 22 17.185 40.371 36.632 1.00 0.00 ATOM 180 OD1 ASP 22 17.464 41.353 35.914 1.00 0.00 ATOM 181 OD2 ASP 22 17.075 40.362 37.866 1.00 0.00 ATOM 182 O ASP 22 17.978 37.393 33.196 1.00 0.00 ATOM 183 C ASP 22 17.007 37.659 33.899 1.00 0.00 ATOM 184 N ILE 23 15.926 36.885 33.985 1.00 0.00 ATOM 185 CA ILE 23 15.899 35.503 33.450 1.00 0.00 ATOM 186 CB ILE 23 14.539 34.814 33.684 1.00 0.00 ATOM 187 CG1 ILE 23 14.271 34.654 35.189 1.00 0.00 ATOM 188 CG2 ILE 23 14.472 33.436 32.998 1.00 0.00 ATOM 189 CD1 ILE 23 12.840 34.230 35.523 1.00 0.00 ATOM 190 O ILE 23 16.973 34.723 31.423 1.00 0.00 ATOM 191 C ILE 23 16.205 35.534 31.939 1.00 0.00 ATOM 192 N MET 24 15.482 36.392 31.240 1.00 0.00 ATOM 193 CA MET 24 15.590 36.452 29.776 1.00 0.00 ATOM 194 CB MET 24 14.440 37.265 29.173 1.00 0.00 ATOM 195 CG MET 24 14.417 37.120 27.655 1.00 0.00 ATOM 196 SD MET 24 14.191 35.410 27.037 1.00 0.00 ATOM 197 CE MET 24 12.520 35.103 27.561 1.00 0.00 ATOM 198 O MET 24 17.450 36.572 28.297 1.00 0.00 ATOM 199 C MET 24 16.941 36.997 29.323 1.00 0.00 ATOM 200 N GLN 25 17.446 38.008 30.035 1.00 0.00 ATOM 201 CA GLN 25 18.828 38.465 29.831 1.00 0.00 ATOM 202 CB GLN 25 19.220 39.539 30.832 1.00 0.00 ATOM 203 CG GLN 25 18.486 40.863 30.628 1.00 0.00 ATOM 204 CD GLN 25 18.905 41.889 31.675 1.00 0.00 ATOM 205 OE1 GLN 25 19.739 41.704 32.544 1.00 0.00 ATOM 206 NE2 GLN 25 18.288 43.027 31.585 1.00 0.00 ATOM 207 O GLN 25 20.809 37.242 29.278 1.00 0.00 ATOM 208 C GLN 25 19.833 37.316 30.005 1.00 0.00 ATOM 209 N ASP 26 19.559 36.396 30.916 1.00 0.00 ATOM 210 CA ASP 26 20.440 35.241 31.160 1.00 0.00 ATOM 211 CB ASP 26 19.932 34.427 32.354 1.00 0.00 ATOM 212 CG ASP 26 20.063 35.155 33.697 1.00 0.00 ATOM 213 OD1 ASP 26 20.913 36.076 33.796 1.00 0.00 ATOM 214 OD2 ASP 26 19.374 34.727 34.644 1.00 0.00 ATOM 215 O ASP 26 21.717 33.975 29.528 1.00 0.00 ATOM 216 C ASP 26 20.610 34.308 29.945 1.00 0.00 ATOM 217 N ILE 27 19.486 33.838 29.442 1.00 0.00 ATOM 218 CA ILE 27 19.471 32.868 28.330 1.00 0.00 ATOM 219 CB ILE 27 18.563 31.662 28.649 1.00 0.00 ATOM 220 CG1 ILE 27 17.106 32.090 28.854 1.00 0.00 ATOM 221 CG2 ILE 27 19.139 30.910 29.861 1.00 0.00 ATOM 222 CD1 ILE 27 16.102 30.928 28.848 1.00 0.00 ATOM 223 O ILE 27 18.161 34.414 27.029 1.00 0.00 ATOM 224 C ILE 27 19.025 33.551 27.039 1.00 0.00 ATOM 225 N GLY 28 19.569 33.039 25.941 1.00 0.00 ATOM 226 CA GLY 28 19.140 33.453 24.602 1.00 0.00 ATOM 227 O GLY 28 17.307 31.904 24.915 1.00 0.00 ATOM 228 C GLY 28 17.745 32.893 24.324 1.00 0.00 ATOM 229 N ASN 29 17.014 33.591 23.487 1.00 0.00 ATOM 230 CA ASN 29 15.699 33.095 23.054 1.00 0.00 ATOM 231 CB ASN 29 14.856 34.221 22.496 1.00 0.00 ATOM 232 CG ASN 29 15.516 35.013 21.372 1.00 0.00 ATOM 233 ND2 ASN 29 14.884 36.084 21.009 1.00 0.00 ATOM 234 OD1 ASN 29 16.586 34.744 20.860 1.00 0.00 ATOM 235 O ASN 29 16.961 31.950 21.372 1.00 0.00 ATOM 236 C ASN 29 15.883 32.069 21.941 1.00 0.00 ATOM 237 N SER 30 14.808 31.364 21.623 1.00 0.00 ATOM 238 CA SER 30 14.806 30.642 20.337 1.00 0.00 ATOM 239 CB SER 30 13.548 30.216 19.669 1.00 0.00 ATOM 240 OG SER 30 12.618 31.054 20.194 1.00 0.00 ATOM 241 O SER 30 15.017 32.560 19.001 1.00 0.00 ATOM 242 C SER 30 15.364 31.396 19.158 1.00 0.00 ATOM 243 N ASP 31 15.840 30.604 18.197 1.00 0.00 ATOM 244 CA ASP 31 15.991 31.204 16.877 1.00 0.00 ATOM 245 CB ASP 31 17.240 30.777 16.113 1.00 0.00 ATOM 246 CG ASP 31 18.556 31.268 16.723 1.00 0.00 ATOM 247 OD1 ASP 31 18.504 32.170 17.590 1.00 0.00 ATOM 248 OD2 ASP 31 19.605 30.758 16.277 1.00 0.00 ATOM 249 O ASP 31 14.484 31.731 15.081 1.00 0.00 ATOM 250 C ASP 31 14.734 30.992 16.026 1.00 0.00 ATOM 251 N ASP 32 14.121 29.832 16.212 1.00 0.00 ATOM 252 CA ASP 32 12.847 29.497 15.565 1.00 0.00 ATOM 253 CB ASP 32 13.134 28.639 14.328 1.00 0.00 ATOM 254 CG ASP 32 11.989 28.652 13.301 1.00 0.00 ATOM 255 OD1 ASP 32 10.955 29.328 13.515 1.00 0.00 ATOM 256 OD2 ASP 32 12.148 27.912 12.325 1.00 0.00 ATOM 257 O ASP 32 12.349 28.417 17.687 1.00 0.00 ATOM 258 C ASP 32 11.950 28.777 16.572 1.00 0.00 ATOM 259 N ILE 33 10.747 28.441 16.121 1.00 0.00 ATOM 260 CA ILE 33 9.795 27.696 16.952 1.00 0.00 ATOM 261 CB ILE 33 8.395 28.317 16.945 1.00 0.00 ATOM 262 CG1 ILE 33 8.480 29.826 17.226 1.00 0.00 ATOM 263 CG2 ILE 33 7.510 27.537 17.930 1.00 0.00 ATOM 264 CD1 ILE 33 7.102 30.476 17.311 1.00 0.00 ATOM 265 O ILE 33 9.192 26.097 15.294 1.00 0.00 ATOM 266 C ILE 33 9.761 26.304 16.353 1.00 0.00 ATOM 267 N LEU 34 10.222 25.339 17.128 1.00 0.00 ATOM 268 CA LEU 34 10.294 23.951 16.647 1.00 0.00 ATOM 269 CB LEU 34 11.695 23.371 16.778 1.00 0.00 ATOM 270 CG LEU 34 12.759 24.175 16.039 1.00 0.00 ATOM 271 CD1 LEU 34 14.046 23.431 16.311 1.00 0.00 ATOM 272 CD2 LEU 34 12.561 24.256 14.528 1.00 0.00 ATOM 273 O LEU 34 9.021 23.227 18.564 1.00 0.00 ATOM 274 C LEU 34 9.321 23.040 17.383 1.00 0.00 ATOM 275 N ALA 35 8.816 22.104 16.610 1.00 0.00 ATOM 276 CA ALA 35 7.990 21.021 17.151 1.00 0.00 ATOM 277 CB ALA 35 6.927 20.653 16.120 1.00 0.00 ATOM 278 O ALA 35 9.722 19.391 16.721 1.00 0.00 ATOM 279 C ALA 35 8.879 19.830 17.512 1.00 0.00 ATOM 280 N ALA 36 8.721 19.369 18.743 1.00 0.00 ATOM 281 CA ALA 36 9.533 18.285 19.302 1.00 0.00 ATOM 282 CB ALA 36 10.504 18.864 20.327 1.00 0.00 ATOM 283 O ALA 36 7.516 17.375 20.248 1.00 0.00 ATOM 284 C ALA 36 8.698 17.194 19.978 1.00 0.00 ATOM 285 N VAL 37 9.337 16.057 20.169 1.00 0.00 ATOM 286 CA VAL 37 8.695 14.901 20.819 1.00 0.00 ATOM 287 CB VAL 37 8.706 13.631 19.949 1.00 0.00 ATOM 288 CG1 VAL 37 7.712 12.606 20.498 1.00 0.00 ATOM 289 CG2 VAL 37 8.398 13.928 18.481 1.00 0.00 ATOM 290 O VAL 37 10.747 14.511 21.995 1.00 0.00 ATOM 291 C VAL 37 9.522 14.618 22.063 1.00 0.00 ATOM 292 N VAL 38 8.810 14.525 23.168 1.00 0.00 ATOM 293 CA VAL 38 9.459 14.212 24.442 1.00 0.00 ATOM 294 CB VAL 38 8.572 14.579 25.626 1.00 0.00 ATOM 295 CG1 VAL 38 9.222 14.201 26.959 1.00 0.00 ATOM 296 CG2 VAL 38 8.287 16.083 25.580 1.00 0.00 ATOM 297 O VAL 38 8.969 11.873 24.335 1.00 0.00 ATOM 298 C VAL 38 9.834 12.720 24.431 1.00 0.00 ATOM 299 N LEU 39 11.134 12.467 24.498 1.00 0.00 ATOM 300 CA LEU 39 11.645 11.091 24.561 1.00 0.00 ATOM 301 CB LEU 39 13.057 11.022 23.969 1.00 0.00 ATOM 302 CG LEU 39 13.659 9.613 23.967 1.00 0.00 ATOM 303 CD1 LEU 39 12.866 8.626 23.120 1.00 0.00 ATOM 304 CD2 LEU 39 15.092 9.730 23.463 1.00 0.00 ATOM 305 O LEU 39 11.150 9.440 26.255 1.00 0.00 ATOM 306 C LEU 39 11.626 10.547 25.997 1.00 0.00 ATOM 307 N SER 40 12.129 11.370 26.907 1.00 0.00 ATOM 308 CA SER 40 12.239 10.989 28.336 1.00 0.00 ATOM 309 CB SER 40 13.439 10.052 28.554 1.00 0.00 ATOM 310 OG SER 40 14.661 10.761 28.309 1.00 0.00 ATOM 311 O SER 40 12.439 13.363 28.663 1.00 0.00 ATOM 312 C SER 40 12.377 12.253 29.194 1.00 0.00 ATOM 313 N ALA 41 12.250 12.037 30.499 1.00 0.00 ATOM 314 CA ALA 41 12.392 13.121 31.482 1.00 0.00 ATOM 315 CB ALA 41 10.999 13.354 32.031 1.00 0.00 ATOM 316 O ALA 41 13.196 11.966 33.476 1.00 0.00 ATOM 317 C ALA 41 13.423 12.760 32.564 1.00 0.00 ATOM 318 N THR 42 14.617 13.284 32.362 1.00 0.00 ATOM 319 CA THR 42 15.744 13.043 33.268 1.00 0.00 ATOM 320 CB THR 42 17.044 13.119 32.467 1.00 0.00 ATOM 321 CG2 THR 42 17.119 12.113 31.314 1.00 0.00 ATOM 322 OG1 THR 42 17.307 14.448 32.008 1.00 0.00 ATOM 323 O THR 42 15.086 15.081 34.364 1.00 0.00 ATOM 324 C THR 42 15.781 14.060 34.428 1.00 0.00 ATOM 325 N PRO 43 16.609 13.851 35.450 1.00 0.00 ATOM 326 CA PRO 43 16.746 14.817 36.557 1.00 0.00 ATOM 327 CB PRO 43 17.804 14.227 37.484 1.00 0.00 ATOM 328 CG PRO 43 17.696 12.726 37.259 1.00 0.00 ATOM 329 CD PRO 43 17.327 12.600 35.781 1.00 0.00 ATOM 330 O PRO 43 16.629 17.197 36.564 1.00 0.00 ATOM 331 C PRO 43 17.163 16.210 36.077 1.00 0.00 ATOM 332 N GLY 44 18.046 16.250 35.078 1.00 0.00 ATOM 333 CA GLY 44 18.531 17.495 34.469 1.00 0.00 ATOM 334 O GLY 44 17.370 19.516 33.863 1.00 0.00 ATOM 335 C GLY 44 17.371 18.286 33.830 1.00 0.00 ATOM 336 N ALA 45 16.567 17.538 33.069 1.00 0.00 ATOM 337 CA ALA 45 15.556 18.114 32.165 1.00 0.00 ATOM 338 CB ALA 45 16.451 18.775 31.139 1.00 0.00 ATOM 339 O ALA 45 14.921 15.884 31.578 1.00 0.00 ATOM 340 C ALA 45 14.744 17.076 31.385 1.00 0.00 ATOM 341 N VAL 46 14.223 17.535 30.245 1.00 0.00 ATOM 342 CA VAL 46 13.614 16.670 29.231 1.00 0.00 ATOM 343 CB VAL 46 12.257 17.258 28.865 1.00 0.00 ATOM 344 CG1 VAL 46 11.570 16.442 27.770 1.00 0.00 ATOM 345 CG2 VAL 46 11.362 17.232 30.100 1.00 0.00 ATOM 346 O VAL 46 14.995 17.569 27.437 1.00 0.00 ATOM 347 C VAL 46 14.529 16.572 28.001 1.00 0.00 ATOM 348 N GLU 47 14.611 15.337 27.537 1.00 0.00 ATOM 349 CA GLU 47 15.207 15.001 26.240 1.00 0.00 ATOM 350 CB GLU 47 15.927 13.658 26.317 1.00 0.00 ATOM 351 CG GLU 47 17.077 13.671 27.327 1.00 0.00 ATOM 352 CD GLU 47 17.813 12.339 27.473 1.00 0.00 ATOM 353 OE1 GLU 47 17.391 11.369 26.827 1.00 0.00 ATOM 354 OE2 GLU 47 18.733 12.300 28.311 1.00 0.00 ATOM 355 O GLU 47 13.058 14.235 25.450 1.00 0.00 ATOM 356 C GLU 47 14.073 14.878 25.216 1.00 0.00 ATOM 357 N ALA 48 14.253 15.630 24.138 1.00 0.00 ATOM 358 CA ALA 48 13.257 15.653 23.056 1.00 0.00 ATOM 359 CB ALA 48 12.440 16.950 23.155 1.00 0.00 ATOM 360 O ALA 48 15.148 15.700 21.548 1.00 0.00 ATOM 361 C ALA 48 13.942 15.495 21.696 1.00 0.00 ATOM 362 N PHE 49 13.121 15.220 20.705 1.00 0.00 ATOM 363 CA PHE 49 13.596 15.140 19.317 1.00 0.00 ATOM 364 CB PHE 49 13.444 13.711 18.790 1.00 0.00 ATOM 365 CG PHE 49 13.647 13.659 17.278 1.00 0.00 ATOM 366 CD1 PHE 49 14.920 13.628 16.731 1.00 0.00 ATOM 367 CD2 PHE 49 12.537 13.707 16.460 1.00 0.00 ATOM 368 CE1 PHE 49 15.057 13.632 15.354 1.00 0.00 ATOM 369 CE2 PHE 49 12.673 13.711 15.083 1.00 0.00 ATOM 370 CZ PHE 49 13.941 13.664 14.551 1.00 0.00 ATOM 371 O PHE 49 11.610 16.260 18.547 1.00 0.00 ATOM 372 C PHE 49 12.831 16.140 18.469 1.00 0.00 ATOM 373 N ARG 50 13.570 16.754 17.580 1.00 0.00 ATOM 374 CA ARG 50 12.954 17.699 16.636 1.00 0.00 ATOM 375 CB ARG 50 13.969 18.714 16.154 1.00 0.00 ATOM 376 CG ARG 50 14.525 19.642 17.199 1.00 0.00 ATOM 377 CD ARG 50 15.628 20.506 16.614 1.00 0.00 ATOM 378 NE ARG 50 15.960 21.551 17.586 1.00 0.00 ATOM 379 CZ ARG 50 17.046 22.332 17.588 1.00 0.00 ATOM 380 NH1 ARG 50 17.960 22.207 16.664 1.00 0.00 ATOM 381 NH2 ARG 50 17.210 23.285 18.493 1.00 0.00 ATOM 382 O ARG 50 12.998 16.628 14.467 1.00 0.00 ATOM 383 C ARG 50 12.333 16.986 15.438 1.00 0.00 ATOM 384 N LYS 51 11.009 16.929 15.485 1.00 0.00 ATOM 385 CA LYS 51 10.186 16.333 14.413 1.00 0.00 ATOM 386 CB LYS 51 8.710 16.347 14.833 1.00 0.00 ATOM 387 CG LYS 51 7.827 15.637 13.797 1.00 0.00 ATOM 388 CD LYS 51 6.356 15.686 14.196 1.00 0.00 ATOM 389 CE LYS 51 5.479 15.022 13.137 1.00 0.00 ATOM 390 NZ LYS 51 4.077 14.972 13.589 1.00 0.00 ATOM 391 O LYS 51 10.202 16.473 11.993 1.00 0.00 ATOM 392 C LYS 51 10.369 17.058 13.061 1.00 0.00 ATOM 393 N ASN 52 10.655 18.354 13.149 1.00 0.00 ATOM 394 CA ASN 52 10.951 19.187 11.971 1.00 0.00 ATOM 395 CB ASN 52 10.324 20.586 12.135 1.00 0.00 ATOM 396 CG ASN 52 8.799 20.573 12.308 1.00 0.00 ATOM 397 ND2 ASN 52 8.302 21.562 13.028 1.00 0.00 ATOM 398 OD1 ASN 52 8.041 19.738 11.831 1.00 0.00 ATOM 399 O ASN 52 12.720 19.976 10.605 1.00 0.00 ATOM 400 C ASN 52 12.462 19.227 11.557 1.00 0.00 ATOM 401 N GLY 53 13.326 18.482 12.322 1.00 0.00 ATOM 402 CA GLY 53 14.777 18.020 12.335 1.00 0.00 ATOM 403 O GLY 53 15.798 19.032 14.116 1.00 0.00 ATOM 404 C GLY 53 15.743 17.931 13.605 1.00 0.00 ATOM 405 N GLU 54 16.329 16.852 14.263 1.00 0.00 ATOM 406 CA GLU 54 17.465 16.530 15.277 1.00 0.00 ATOM 407 CB GLU 54 18.771 17.309 15.088 1.00 0.00 ATOM 408 CG GLU 54 19.528 17.055 13.794 1.00 0.00 ATOM 409 CD GLU 54 20.354 18.259 13.335 1.00 0.00 ATOM 410 OE1 GLU 54 20.504 19.221 14.104 1.00 0.00 ATOM 411 OE2 GLU 54 20.820 18.245 12.181 1.00 0.00 ATOM 412 O GLU 54 16.319 16.724 17.341 1.00 0.00 ATOM 413 C GLU 54 17.359 16.324 16.840 1.00 0.00 ATOM 414 N THR 55 18.282 15.738 17.678 1.00 0.00 ATOM 415 CA THR 55 18.121 15.659 19.176 1.00 0.00 ATOM 416 CB THR 55 19.081 14.672 19.911 1.00 0.00 ATOM 417 CG2 THR 55 19.010 14.668 21.455 1.00 0.00 ATOM 418 OG1 THR 55 18.879 13.348 19.416 1.00 0.00 ATOM 419 O THR 55 19.304 17.696 19.751 1.00 0.00 ATOM 420 C THR 55 18.294 17.003 19.893 1.00 0.00 ATOM 421 N ILE 56 17.406 17.227 20.863 1.00 0.00 ATOM 422 CA ILE 56 17.375 18.481 21.651 1.00 0.00 ATOM 423 CB ILE 56 16.277 19.388 21.112 1.00 0.00 ATOM 424 CG1 ILE 56 14.898 18.720 21.154 1.00 0.00 ATOM 425 CG2 ILE 56 16.738 19.748 19.717 1.00 0.00 ATOM 426 CD1 ILE 56 13.773 19.432 20.402 1.00 0.00 ATOM 427 O ILE 56 16.614 17.214 23.539 1.00 0.00 ATOM 428 C ILE 56 17.155 18.242 23.139 1.00 0.00 ATOM 429 N ARG 57 17.501 19.266 23.916 1.00 0.00 ATOM 430 CA ARG 57 17.343 19.208 25.384 1.00 0.00 ATOM 431 CB ARG 57 18.683 19.105 26.109 1.00 0.00 ATOM 432 CG ARG 57 19.498 17.934 25.620 1.00 0.00 ATOM 433 CD ARG 57 20.739 17.743 26.459 1.00 0.00 ATOM 434 NE ARG 57 21.413 16.487 26.093 1.00 0.00 ATOM 435 CZ ARG 57 22.559 16.118 26.669 1.00 0.00 ATOM 436 NH1 ARG 57 23.089 14.960 26.398 1.00 0.00 ATOM 437 NH2 ARG 57 23.203 16.896 27.512 1.00 0.00 ATOM 438 O ARG 57 17.013 21.571 25.555 1.00 0.00 ATOM 439 C ARG 57 16.673 20.452 25.943 1.00 0.00 ATOM 440 N ILE 58 15.863 20.216 26.957 1.00 0.00 ATOM 441 CA ILE 58 15.197 21.317 27.691 1.00 0.00 ATOM 442 CB ILE 58 13.652 21.296 27.643 1.00 0.00 ATOM 443 CG1 ILE 58 13.169 21.203 26.228 1.00 0.00 ATOM 444 CG2 ILE 58 13.057 22.561 28.269 1.00 0.00 ATOM 445 CD1 ILE 58 11.678 20.961 26.016 1.00 0.00 ATOM 446 O ILE 58 14.742 20.513 29.859 1.00 0.00 ATOM 447 C ILE 58 15.525 21.158 29.163 1.00 0.00 ATOM 448 N THR 59 16.544 21.867 29.655 1.00 0.00 ATOM 449 CA THR 59 16.870 21.770 31.092 1.00 0.00 ATOM 450 CB THR 59 18.111 22.500 31.561 1.00 0.00 ATOM 451 CG2 THR 59 19.349 22.096 30.768 1.00 0.00 ATOM 452 OG1 THR 59 17.789 23.873 31.498 1.00 0.00 ATOM 453 O THR 59 14.796 22.882 31.559 1.00 0.00 ATOM 454 C THR 59 15.679 22.140 31.976 1.00 0.00 ATOM 455 N GLY 60 15.677 21.587 33.190 1.00 0.00 ATOM 456 CA GLY 60 14.582 21.755 34.168 1.00 0.00 ATOM 457 O GLY 60 12.934 23.507 34.264 1.00 0.00 ATOM 458 C GLY 60 14.128 23.213 34.362 1.00 0.00 ATOM 459 N ASP 61 15.092 24.121 34.490 1.00 0.00 ATOM 460 CA ASP 61 14.808 25.562 34.640 1.00 0.00 ATOM 461 CB ASP 61 16.079 26.347 34.924 1.00 0.00 ATOM 462 CG ASP 61 16.627 26.084 36.314 1.00 0.00 ATOM 463 OD1 ASP 61 15.877 25.541 37.160 1.00 0.00 ATOM 464 OD2 ASP 61 17.739 26.611 36.505 1.00 0.00 ATOM 465 O ASP 61 13.411 27.261 33.678 1.00 0.00 ATOM 466 C ASP 61 14.062 26.230 33.482 1.00 0.00 ATOM 467 N GLY 62 14.065 25.553 32.333 1.00 0.00 ATOM 468 CA GLY 62 13.398 25.983 31.094 1.00 0.00 ATOM 469 O GLY 62 11.393 27.356 31.009 1.00 0.00 ATOM 470 C GLY 62 11.893 26.257 31.246 1.00 0.00 ATOM 471 N LEU 63 11.203 25.273 31.806 1.00 0.00 ATOM 472 CA LEU 63 9.747 25.322 32.041 1.00 0.00 ATOM 473 CB LEU 63 9.202 23.990 32.541 1.00 0.00 ATOM 474 CG LEU 63 9.180 22.853 31.529 1.00 0.00 ATOM 475 CD1 LEU 63 8.772 21.623 32.320 1.00 0.00 ATOM 476 CD2 LEU 63 8.210 23.096 30.379 1.00 0.00 ATOM 477 O LEU 63 8.494 27.143 32.956 1.00 0.00 ATOM 478 C LEU 63 9.438 26.365 33.103 1.00 0.00 ATOM 479 N LYS 64 10.348 26.465 34.075 1.00 0.00 ATOM 480 CA LYS 64 10.268 27.492 35.131 1.00 0.00 ATOM 481 CB LYS 64 11.466 27.452 36.077 1.00 0.00 ATOM 482 CG LYS 64 11.508 26.187 36.913 1.00 0.00 ATOM 483 CD LYS 64 12.709 26.282 37.854 1.00 0.00 ATOM 484 CE LYS 64 12.846 24.988 38.638 1.00 0.00 ATOM 485 NZ LYS 64 14.034 25.010 39.483 1.00 0.00 ATOM 486 O LYS 64 9.295 29.660 34.859 1.00 0.00 ATOM 487 C LYS 64 10.211 28.898 34.535 1.00 0.00 ATOM 488 N ALA 65 11.127 29.186 33.623 1.00 0.00 ATOM 489 CA ALA 65 11.210 30.527 33.029 1.00 0.00 ATOM 490 CB ALA 65 12.402 30.652 32.117 1.00 0.00 ATOM 491 O ALA 65 9.254 31.809 32.535 1.00 0.00 ATOM 492 C ALA 65 9.968 30.866 32.227 1.00 0.00 ATOM 493 N ALA 66 9.609 29.909 31.394 1.00 0.00 ATOM 494 CA ALA 66 8.475 30.057 30.527 1.00 0.00 ATOM 495 CB ALA 66 8.759 28.733 29.829 1.00 0.00 ATOM 496 O ALA 66 6.582 31.384 31.277 1.00 0.00 ATOM 497 C ALA 66 7.210 30.325 31.385 1.00 0.00 ATOM 498 N HIS 67 7.003 29.510 32.428 1.00 0.00 ATOM 499 CA HIS 67 5.836 29.641 33.321 1.00 0.00 ATOM 500 CB HIS 67 5.772 28.561 34.399 1.00 0.00 ATOM 501 CG HIS 67 5.576 27.123 33.908 1.00 0.00 ATOM 502 CD2 HIS 67 5.124 26.680 32.743 1.00 0.00 ATOM 503 ND1 HIS 67 5.797 26.038 34.628 1.00 0.00 ATOM 504 CE1 HIS 67 5.383 25.003 33.909 1.00 0.00 ATOM 505 NE2 HIS 67 4.990 25.371 32.721 1.00 0.00 ATOM 506 O HIS 67 4.819 31.567 34.281 1.00 0.00 ATOM 507 C HIS 67 5.850 30.980 34.048 1.00 0.00 ATOM 508 N ARG 68 7.013 31.453 34.465 1.00 0.00 ATOM 509 CA ARG 68 7.106 32.760 35.130 1.00 0.00 ATOM 510 CB ARG 68 8.506 32.919 35.696 1.00 0.00 ATOM 511 CG ARG 68 8.743 32.054 36.898 1.00 0.00 ATOM 512 CD ARG 68 10.190 32.279 37.248 1.00 0.00 ATOM 513 NE ARG 68 10.531 31.434 38.388 1.00 0.00 ATOM 514 CZ ARG 68 11.754 31.254 38.839 1.00 0.00 ATOM 515 NH1 ARG 68 11.922 30.431 39.846 1.00 0.00 ATOM 516 NH2 ARG 68 12.763 31.991 38.408 1.00 0.00 ATOM 517 O ARG 68 6.085 34.857 34.603 1.00 0.00 ATOM 518 C ARG 68 6.790 33.938 34.206 1.00 0.00 ATOM 519 N PHE 69 7.292 33.865 32.970 1.00 0.00 ATOM 520 CA PHE 69 7.039 34.908 31.958 1.00 0.00 ATOM 521 CB PHE 69 7.810 34.682 30.652 1.00 0.00 ATOM 522 CG PHE 69 9.298 34.911 30.854 1.00 0.00 ATOM 523 CD1 PHE 69 9.782 36.199 31.024 1.00 0.00 ATOM 524 CD2 PHE 69 10.176 33.843 30.881 1.00 0.00 ATOM 525 CE1 PHE 69 11.143 36.380 31.234 1.00 0.00 ATOM 526 CE2 PHE 69 11.517 34.035 31.123 1.00 0.00 ATOM 527 CZ PHE 69 12.014 35.312 31.293 1.00 0.00 ATOM 528 O PHE 69 4.927 36.014 31.918 1.00 0.00 ATOM 529 C PHE 69 5.557 35.003 31.652 1.00 0.00 ATOM 530 N LEU 70 4.991 33.861 31.279 1.00 0.00 ATOM 531 CA LEU 70 3.562 33.761 30.961 1.00 0.00 ATOM 532 CB LEU 70 3.231 32.605 30.001 1.00 0.00 ATOM 533 CG LEU 70 3.956 32.693 28.659 1.00 0.00 ATOM 534 CD1 LEU 70 3.295 31.846 27.567 1.00 0.00 ATOM 535 CD2 LEU 70 4.090 34.111 28.173 1.00 0.00 ATOM 536 O LEU 70 1.394 33.722 31.925 1.00 0.00 ATOM 537 C LEU 70 2.605 33.666 32.141 1.00 0.00 ATOM 538 N SER 71 3.152 33.362 33.309 1.00 0.00 ATOM 539 CA SER 71 2.394 33.072 34.548 1.00 0.00 ATOM 540 CB SER 71 1.338 34.142 34.839 1.00 0.00 ATOM 541 OG SER 71 1.929 35.422 34.734 1.00 0.00 ATOM 542 O SER 71 0.492 31.603 34.876 1.00 0.00 ATOM 543 C SER 71 1.659 31.718 34.483 1.00 0.00 ATOM 544 N ASN 72 2.278 30.736 33.852 1.00 0.00 ATOM 545 CA ASN 72 1.703 29.381 33.794 1.00 0.00 ATOM 546 CB ASN 72 2.503 28.550 32.796 1.00 0.00 ATOM 547 CG ASN 72 1.961 27.124 32.684 1.00 0.00 ATOM 548 ND2 ASN 72 0.871 27.116 32.047 1.00 0.00 ATOM 549 OD1 ASN 72 2.356 26.090 33.177 1.00 0.00 ATOM 550 O ASN 72 2.558 29.065 36.011 1.00 0.00 ATOM 551 C ASN 72 1.714 28.725 35.176 1.00 0.00 ATOM 552 N ASP 73 0.862 27.709 35.306 1.00 0.00 ATOM 553 CA ASP 73 0.773 26.906 36.522 1.00 0.00 ATOM 554 CB ASP 73 -0.698 26.646 36.875 1.00 0.00 ATOM 555 CG ASP 73 -0.849 25.981 38.253 1.00 0.00 ATOM 556 OD1 ASP 73 0.127 25.404 38.762 1.00 0.00 ATOM 557 OD2 ASP 73 -1.988 25.863 38.738 1.00 0.00 ATOM 558 O ASP 73 1.042 24.620 35.776 1.00 0.00 ATOM 559 C ASP 73 1.553 25.600 36.329 1.00 0.00 ATOM 560 N PRO 74 2.820 25.616 36.768 1.00 0.00 ATOM 561 CA PRO 74 3.756 24.508 36.610 1.00 0.00 ATOM 562 CB PRO 74 4.918 24.824 37.550 1.00 0.00 ATOM 563 CG PRO 74 4.970 26.327 37.453 1.00 0.00 ATOM 564 CD PRO 74 3.499 26.717 37.476 1.00 0.00 ATOM 565 O PRO 74 2.836 22.403 36.068 1.00 0.00 ATOM 566 C PRO 74 3.121 23.182 36.961 1.00 0.00 ATOM 567 N LYS 75 2.928 22.929 38.248 1.00 0.00 ATOM 568 CA LYS 75 2.539 21.581 38.706 1.00 0.00 ATOM 569 CB LYS 75 1.125 21.283 38.166 1.00 0.00 ATOM 570 CG LYS 75 0.074 22.267 38.650 1.00 0.00 ATOM 571 CD LYS 75 -1.314 21.752 38.286 1.00 0.00 ATOM 572 CE LYS 75 -2.421 22.783 38.457 1.00 0.00 ATOM 573 NZ LYS 75 -2.510 23.073 39.866 1.00 0.00 ATOM 574 O LYS 75 3.239 19.614 37.540 1.00 0.00 ATOM 575 C LYS 75 3.594 20.536 38.232 1.00 0.00 ATOM 576 N ILE 76 4.886 20.881 38.293 1.00 0.00 ATOM 577 CA ILE 76 6.191 20.220 37.879 1.00 0.00 ATOM 578 CB ILE 76 7.225 20.571 38.984 1.00 0.00 ATOM 579 CG1 ILE 76 7.140 21.998 39.555 1.00 0.00 ATOM 580 CG2 ILE 76 8.686 20.276 38.574 1.00 0.00 ATOM 581 CD1 ILE 76 7.573 23.156 38.643 1.00 0.00 ATOM 582 O ILE 76 6.124 17.832 38.163 1.00 0.00 ATOM 583 C ILE 76 6.477 18.741 37.420 1.00 0.00 ATOM 584 N GLY 77 7.472 18.513 36.509 1.00 0.00 ATOM 585 CA GLY 77 8.103 17.185 36.237 1.00 0.00 ATOM 586 O GLY 77 6.706 17.010 34.326 1.00 0.00 ATOM 587 C GLY 77 7.344 16.381 35.179 1.00 0.00 ATOM 588 N GLU 78 7.234 15.076 35.395 1.00 0.00 ATOM 589 CA GLU 78 6.314 14.202 34.627 1.00 0.00 ATOM 590 CB GLU 78 6.216 12.784 35.211 1.00 0.00 ATOM 591 CG GLU 78 7.535 12.014 35.240 1.00 0.00 ATOM 592 CD GLU 78 8.538 12.411 36.323 1.00 0.00 ATOM 593 OE1 GLU 78 8.157 13.165 37.235 1.00 0.00 ATOM 594 OE2 GLU 78 9.687 11.964 36.206 1.00 0.00 ATOM 595 O GLU 78 4.030 14.309 33.865 1.00 0.00 ATOM 596 C GLU 78 4.883 14.745 34.637 1.00 0.00 ATOM 597 N LYS 79 4.602 15.619 35.600 1.00 0.00 ATOM 598 CA LYS 79 3.330 16.328 35.709 1.00 0.00 ATOM 599 CB LYS 79 3.276 16.999 37.063 1.00 0.00 ATOM 600 CG LYS 79 3.272 16.126 38.296 1.00 0.00 ATOM 601 CD LYS 79 3.238 17.044 39.505 1.00 0.00 ATOM 602 CE LYS 79 3.392 16.120 40.685 1.00 0.00 ATOM 603 NZ LYS 79 3.335 16.860 41.927 1.00 0.00 ATOM 604 O LYS 79 1.888 17.555 34.230 1.00 0.00 ATOM 605 C LYS 79 3.046 17.396 34.644 1.00 0.00 ATOM 606 N ARG 80 4.066 18.155 34.250 1.00 0.00 ATOM 607 CA ARG 80 3.946 19.208 33.211 1.00 0.00 ATOM 608 CB ARG 80 4.994 20.307 33.380 1.00 0.00 ATOM 609 CG ARG 80 4.740 20.937 34.727 1.00 0.00 ATOM 610 CD ARG 80 5.642 22.112 34.961 1.00 0.00 ATOM 611 NE ARG 80 6.975 21.624 35.277 1.00 0.00 ATOM 612 CZ ARG 80 8.036 22.394 35.503 1.00 0.00 ATOM 613 NH1 ARG 80 9.175 21.808 35.799 1.00 0.00 ATOM 614 NH2 ARG 80 7.972 23.721 35.475 1.00 0.00 ATOM 615 O ARG 80 3.673 19.271 30.826 1.00 0.00 ATOM 616 C ARG 80 4.174 18.702 31.792 1.00 0.00 ATOM 617 N ILE 81 5.165 17.823 31.692 1.00 0.00 ATOM 618 CA ILE 81 5.567 17.278 30.388 1.00 0.00 ATOM 619 CB ILE 81 7.043 17.553 30.082 1.00 0.00 ATOM 620 CG1 ILE 81 7.342 19.052 30.086 1.00 0.00 ATOM 621 CG2 ILE 81 7.422 16.932 28.739 1.00 0.00 ATOM 622 CD1 ILE 81 8.827 19.369 29.909 1.00 0.00 ATOM 623 O ILE 81 5.698 15.063 31.315 1.00 0.00 ATOM 624 C ILE 81 5.269 15.780 30.422 1.00 0.00 ATOM 625 N ARG 82 4.633 15.356 29.341 1.00 0.00 ATOM 626 CA ARG 82 4.285 13.952 29.174 1.00 0.00 ATOM 627 CB ARG 82 2.844 13.919 28.738 1.00 0.00 ATOM 628 CG ARG 82 1.991 14.283 29.944 1.00 0.00 ATOM 629 CD ARG 82 0.683 14.905 29.525 1.00 0.00 ATOM 630 NE ARG 82 -0.094 15.412 30.659 1.00 0.00 ATOM 631 CZ ARG 82 -0.786 14.680 31.544 1.00 0.00 ATOM 632 NH1 ARG 82 -0.883 13.363 31.463 1.00 0.00 ATOM 633 NH2 ARG 82 -1.386 15.280 32.552 1.00 0.00 ATOM 634 O ARG 82 5.253 13.717 27.006 1.00 0.00 ATOM 635 C ARG 82 5.193 13.268 28.148 1.00 0.00 ATOM 636 N PRO 83 5.970 12.279 28.579 1.00 0.00 ATOM 637 CA PRO 83 6.900 11.540 27.710 1.00 0.00 ATOM 638 CB PRO 83 7.467 10.400 28.537 1.00 0.00 ATOM 639 CG PRO 83 7.326 10.960 29.933 1.00 0.00 ATOM 640 CD PRO 83 6.029 11.768 29.955 1.00 0.00 ATOM 641 O PRO 83 4.924 10.592 26.722 1.00 0.00 ATOM 642 C PRO 83 6.097 10.923 26.572 1.00 0.00 ATOM 643 N GLY 84 6.757 10.855 25.425 1.00 0.00 ATOM 644 CA GLY 84 6.185 10.389 24.152 1.00 0.00 ATOM 645 O GLY 84 4.700 11.074 22.391 1.00 0.00 ATOM 646 C GLY 84 5.201 11.346 23.485 1.00 0.00 ATOM 647 N ALA 85 4.997 12.501 24.118 1.00 0.00 ATOM 648 CA ALA 85 4.108 13.542 23.585 1.00 0.00 ATOM 649 CB ALA 85 3.307 14.196 24.716 1.00 0.00 ATOM 650 O ALA 85 6.056 14.863 23.027 1.00 0.00 ATOM 651 C ALA 85 4.881 14.601 22.805 1.00 0.00 ATOM 652 N LEU 86 4.168 15.172 21.836 1.00 0.00 ATOM 653 CA LEU 86 4.679 16.318 21.054 1.00 0.00 ATOM 654 CB LEU 86 3.875 16.537 19.772 1.00 0.00 ATOM 655 CG LEU 86 3.906 15.347 18.826 1.00 0.00 ATOM 656 CD1 LEU 86 3.063 15.657 17.599 1.00 0.00 ATOM 657 CD2 LEU 86 5.346 15.119 18.392 1.00 0.00 ATOM 658 O LEU 86 3.608 17.724 22.675 1.00 0.00 ATOM 659 C LEU 86 4.525 17.593 21.866 1.00 0.00 ATOM 660 N ILE 87 5.365 18.564 21.532 1.00 0.00 ATOM 661 CA ILE 87 5.413 19.853 22.237 1.00 0.00 ATOM 662 CB ILE 87 6.319 19.809 23.477 1.00 0.00 ATOM 663 CG1 ILE 87 7.777 19.512 23.092 1.00 0.00 ATOM 664 CG2 ILE 87 5.814 18.794 24.505 1.00 0.00 ATOM 665 CD1 ILE 87 8.843 19.735 24.161 1.00 0.00 ATOM 666 O ILE 87 6.610 20.573 20.271 1.00 0.00 ATOM 667 C ILE 87 5.987 20.901 21.280 1.00 0.00 ATOM 668 N ARG 88 5.855 22.145 21.708 1.00 0.00 ATOM 669 CA ARG 88 6.458 23.259 20.959 1.00 0.00 ATOM 670 CB ARG 88 5.377 24.263 20.561 1.00 0.00 ATOM 671 CG ARG 88 4.440 23.495 19.634 1.00 0.00 ATOM 672 CD ARG 88 3.334 24.297 19.001 1.00 0.00 ATOM 673 NE ARG 88 3.842 25.337 18.116 1.00 0.00 ATOM 674 CZ ARG 88 3.049 26.163 17.445 1.00 0.00 ATOM 675 NH1 ARG 88 1.726 26.164 17.571 1.00 0.00 ATOM 676 NH2 ARG 88 3.567 27.037 16.634 1.00 0.00 ATOM 677 O ARG 88 7.319 24.163 22.983 1.00 0.00 ATOM 678 C ARG 88 7.526 23.913 21.799 1.00 0.00 ATOM 679 N VAL 89 8.634 24.195 21.140 1.00 0.00 ATOM 680 CA VAL 89 9.810 24.759 21.807 1.00 0.00 ATOM 681 CB VAL 89 10.844 23.696 22.182 1.00 0.00 ATOM 682 CG1 VAL 89 10.267 22.747 23.215 1.00 0.00 ATOM 683 CG2 VAL 89 11.322 22.884 20.967 1.00 0.00 ATOM 684 O VAL 89 10.210 25.923 19.742 1.00 0.00 ATOM 685 C VAL 89 10.455 25.824 20.941 1.00 0.00 ATOM 686 N LYS 90 11.291 26.592 21.604 1.00 0.00 ATOM 687 CA LYS 90 12.046 27.647 20.974 1.00 0.00 ATOM 688 CB LYS 90 11.561 28.848 21.769 1.00 0.00 ATOM 689 CG LYS 90 10.466 29.457 20.897 1.00 0.00 ATOM 690 CD LYS 90 9.118 29.075 21.397 1.00 0.00 ATOM 691 CE LYS 90 8.049 29.670 20.485 1.00 0.00 ATOM 692 NZ LYS 90 7.933 31.145 20.423 1.00 0.00 ATOM 693 O LYS 90 13.977 26.861 22.154 1.00 0.00 ATOM 694 C LYS 90 13.542 27.327 21.105 1.00 0.00 ATOM 695 N LYS 91 14.268 27.428 19.995 1.00 0.00 ATOM 696 CA LYS 91 15.729 27.174 19.969 1.00 0.00 ATOM 697 CB LYS 91 16.306 27.382 18.564 1.00 0.00 ATOM 698 CG LYS 91 15.725 26.403 17.556 1.00 0.00 ATOM 699 CD LYS 91 16.377 26.659 16.208 1.00 0.00 ATOM 700 CE LYS 91 15.786 25.890 15.036 1.00 0.00 ATOM 701 NZ LYS 91 16.505 26.028 13.748 1.00 0.00 ATOM 702 O LYS 91 16.858 29.209 20.596 1.00 0.00 ATOM 703 C LYS 91 16.562 28.070 20.896 1.00 0.00 ATOM 704 N THR 92 17.352 27.484 21.758 1.00 0.00 ATOM 705 CA THR 92 18.244 28.344 22.576 1.00 0.00 ATOM 706 CB THR 92 18.878 27.506 23.656 1.00 0.00 ATOM 707 CG2 THR 92 17.727 26.863 24.434 1.00 0.00 ATOM 708 OG1 THR 92 19.770 26.581 23.024 1.00 0.00 ATOM 709 O THR 92 19.597 28.572 20.592 1.00 0.00 ATOM 710 C THR 92 19.318 29.019 21.699 1.00 0.00 ATOM 711 N GLU 93 19.931 30.063 22.260 1.00 0.00 ATOM 712 CA GLU 93 21.011 30.784 21.558 1.00 0.00 ATOM 713 CB GLU 93 21.468 31.914 22.472 1.00 0.00 ATOM 714 CG GLU 93 22.606 32.737 21.860 1.00 0.00 ATOM 715 CD GLU 93 22.947 33.998 22.654 1.00 0.00 ATOM 716 OE1 GLU 93 22.355 34.150 23.742 1.00 0.00 ATOM 717 OE2 GLU 93 23.893 34.709 22.240 1.00 0.00 ATOM 718 O GLU 93 22.937 30.009 20.273 1.00 0.00 ATOM 719 C GLU 93 22.197 29.862 21.241 1.00 0.00 ATOM 720 N LYS 94 22.393 28.895 22.128 1.00 0.00 ATOM 721 CA LYS 94 23.506 27.946 21.982 1.00 0.00 ATOM 722 CB LYS 94 24.030 27.531 23.359 1.00 0.00 ATOM 723 CG LYS 94 24.430 28.718 24.253 1.00 0.00 ATOM 724 CD LYS 94 25.105 28.195 25.528 1.00 0.00 ATOM 725 CE LYS 94 24.791 28.936 26.824 1.00 0.00 ATOM 726 NZ LYS 94 25.632 30.096 26.849 1.00 0.00 ATOM 727 O LYS 94 21.931 26.322 21.074 1.00 0.00 ATOM 728 C LYS 94 23.089 26.738 21.121 1.00 0.00 ATOM 729 N GLY 95 24.053 26.267 20.334 1.00 0.00 ATOM 730 CA GLY 95 23.926 25.027 19.550 1.00 0.00 ATOM 731 O GLY 95 24.107 24.146 21.739 1.00 0.00 ATOM 732 C GLY 95 24.119 23.881 20.532 1.00 0.00 ATOM 733 N SER 96 24.275 22.656 20.039 1.00 0.00 ATOM 734 CA SER 96 24.267 21.392 20.842 1.00 0.00 ATOM 735 CB SER 96 25.194 21.367 22.078 1.00 0.00 ATOM 736 OG SER 96 24.752 22.130 23.209 1.00 0.00 ATOM 737 O SER 96 22.501 19.962 21.817 1.00 0.00 ATOM 738 C SER 96 22.817 20.992 21.219 1.00 0.00 ATOM 739 N TRP 97 21.976 21.861 20.675 1.00 0.00 ATOM 740 CA TRP 97 20.525 21.950 20.614 1.00 0.00 ATOM 741 CB TRP 97 19.836 21.141 19.540 1.00 0.00 ATOM 742 CG TRP 97 20.487 21.294 18.165 1.00 0.00 ATOM 743 CD1 TRP 97 20.861 20.233 17.474 1.00 0.00 ATOM 744 CD2 TRP 97 20.975 22.403 17.492 1.00 0.00 ATOM 745 CE2 TRP 97 21.647 21.912 16.371 1.00 0.00 ATOM 746 CE3 TRP 97 20.915 23.765 17.704 1.00 0.00 ATOM 747 NE1 TRP 97 21.562 20.601 16.407 1.00 0.00 ATOM 748 CZ2 TRP 97 22.250 22.764 15.462 1.00 0.00 ATOM 749 CZ3 TRP 97 21.537 24.604 16.787 1.00 0.00 ATOM 750 CH2 TRP 97 22.196 24.124 15.666 1.00 0.00 ATOM 751 O TRP 97 19.442 20.832 22.526 1.00 0.00 ATOM 752 C TRP 97 19.914 21.838 21.989 1.00 0.00 ATOM 753 N GLN 98 19.964 23.053 22.496 1.00 0.00 ATOM 754 CA GLN 98 19.164 23.372 23.665 1.00 0.00 ATOM 755 CB GLN 98 20.015 24.180 24.647 1.00 0.00 ATOM 756 CG GLN 98 19.211 24.429 25.924 1.00 0.00 ATOM 757 CD GLN 98 19.830 25.530 26.792 1.00 0.00 ATOM 758 OE1 GLN 98 21.017 25.573 27.020 1.00 0.00 ATOM 759 NE2 GLN 98 18.995 26.249 27.506 1.00 0.00 ATOM 760 O GLN 98 17.849 24.731 22.113 1.00 0.00 ATOM 761 C GLN 98 17.900 24.058 23.154 1.00 0.00 ATOM 762 N ILE 99 16.825 23.688 23.803 1.00 0.00 ATOM 763 CA ILE 99 15.481 24.200 23.497 1.00 0.00 ATOM 764 CB ILE 99 14.677 23.182 22.679 1.00 0.00 ATOM 765 CG1 ILE 99 14.626 21.854 23.413 1.00 0.00 ATOM 766 CG2 ILE 99 15.298 22.933 21.294 1.00 0.00 ATOM 767 CD1 ILE 99 13.346 21.104 23.075 1.00 0.00 ATOM 768 O ILE 99 15.156 24.235 25.891 1.00 0.00 ATOM 769 C ILE 99 14.733 24.576 24.780 1.00 0.00 ATOM 770 N VAL 100 13.668 25.331 24.587 1.00 0.00 ATOM 771 CA VAL 100 12.800 25.769 25.697 1.00 0.00 ATOM 772 CB VAL 100 13.027 27.254 26.043 1.00 0.00 ATOM 773 CG1 VAL 100 12.182 27.693 27.254 1.00 0.00 ATOM 774 CG2 VAL 100 14.489 27.554 26.366 1.00 0.00 ATOM 775 O VAL 100 10.931 25.996 24.223 1.00 0.00 ATOM 776 C VAL 100 11.344 25.569 25.295 1.00 0.00 ATOM 777 N GLN 101 10.566 25.092 26.249 1.00 0.00 ATOM 778 CA GLN 101 9.111 24.979 26.116 1.00 0.00 ATOM 779 CB GLN 101 8.715 23.515 26.087 1.00 0.00 ATOM 780 CG GLN 101 7.210 23.423 25.853 1.00 0.00 ATOM 781 CD GLN 101 6.731 22.011 25.752 1.00 0.00 ATOM 782 OE1 GLN 101 7.302 21.061 26.258 1.00 0.00 ATOM 783 NE2 GLN 101 5.468 21.917 25.429 1.00 0.00 ATOM 784 O GLN 101 8.838 25.399 28.466 1.00 0.00 ATOM 785 C GLN 101 8.429 25.625 27.328 1.00 0.00 ATOM 786 N LEU 102 7.242 26.104 27.024 1.00 0.00 ATOM 787 CA LEU 102 6.270 26.585 28.001 1.00 0.00 ATOM 788 CB LEU 102 6.357 28.085 27.965 1.00 0.00 ATOM 789 CG LEU 102 5.297 28.826 28.735 1.00 0.00 ATOM 790 CD1 LEU 102 5.111 28.369 30.170 1.00 0.00 ATOM 791 CD2 LEU 102 5.847 30.214 28.667 1.00 0.00 ATOM 792 O LEU 102 4.639 26.600 26.308 1.00 0.00 ATOM 793 C LEU 102 4.870 26.306 27.489 1.00 0.00 ATOM 794 N PRO 103 4.038 25.760 28.356 1.00 0.00 ATOM 795 CA PRO 103 2.599 25.677 28.087 1.00 0.00 ATOM 796 CB PRO 103 2.114 24.621 29.055 1.00 0.00 ATOM 797 CG PRO 103 3.324 23.828 29.492 1.00 0.00 ATOM 798 CD PRO 103 4.421 24.876 29.474 1.00 0.00 ATOM 799 O PRO 103 2.576 28.048 28.494 1.00 0.00 ATOM 800 C PRO 103 1.887 27.023 28.312 1.00 0.00 TER END