PFRMAT TS TARGET T0359 AUTHOR 5370-1100-4902 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 One 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 We had excellent hits to many templates in the same SCOP family (PDZ METHOD domain). In two independent runs (try1 and try6) undertaker seems to METHOD have chosen 2bygA as its main template, though that template did not METHOD score particularly well with the HMMs. Another template that it METHOD thought reasonable was 2fe5A. Probably both these templates were METHOD favored because they needed fewer gap openings to get a good METHOD alignment. METHOD METHOD We did very little work on this target, just running optimizers to try METHOD to close the small residual gaps. METHOD METHOD METHOD Model 1 is try5-opt2, optimized by undertaker form all earlier tries, METHOD but mainly from try4-opt2 (in turn from try4-opt2, from METHOD try2-opt2.gromacs0, from try1-opt2, from alignment to 2bygA). METHOD try5-opt2 scores best with a cost function that emphasizes METHOD closing gaps and avoiding clashes. METHOD METHOD Model 2 is try8-opt2.gromacs0.repack-nonPC, was optimized by METHOD undertaker from alignments using the same cost function as for METHOD try5 (making try6-opt2). The undertaker model was then reoptimized by gromacs METHOD (which is good at removing tiny clashes) and had its METHOD sidechains repacked by rosetta. The model was then METHOD re-optimized with undertker with a costfcn that stressed METHOD breaks and clashes and downweighted H-bonds. METHOD METHOD Model 3 is try9-opt2.gromacs0.repack-nonPC, which started from METHOD try5-opt2, did an md simulation run with gromacs to increase METHOD noise (which was too effective---many of the bond lengths got METHOD too small), then reoptimized with rosetta repacking METHOD sidechains, undertaker with constrained costfcn, gromacs to METHOD remove small clashes, rosetta to repack sidechains, undertaker METHOD with same unconstrained costfcn as for try8-opt2, gromacs to METHOD remove small clashes, rosetta to repack sidechains. It is METHOD rosetta's favorite backbone of those that don't have too-short METHOD bonds (rosetta seems to love some of the backbones with METHOD too-short bonds). METHOD METHOD Model 4 is try3-opt1, the best-scoring with our default unconstrained METHOD costfcn. This costfcn may have a bit too much reward for METHOD beta-sheet-forming H-bonds. Try2 was optimized from try2-opt2, METHOD from try1-opt2. METHOD METHOD Model 5 is sidechain replacement by SCWRL on an alignment to 2fe5A, METHOD the top-scoring template with our HMMs. METHOD METHOD REMARK 6 REMARK 6 T0359 model 5 Tue Jul 25 21:24:01 2006 MODEL 5 PARENT 2fe5_A ATOM 2 N SER 3 9.760 17.139 29.836 1.00 0.00 ATOM 3 CA SER 3 10.722 18.144 29.422 1.00 0.00 ATOM 4 CB SER 3 11.156 17.906 27.973 1.00 0.00 ATOM 5 OG SER 3 12.040 18.922 27.533 1.00 0.00 ATOM 6 O SER 3 8.915 19.678 29.189 1.00 0.00 ATOM 7 C SER 3 10.085 19.527 29.532 1.00 0.00 ATOM 8 N GLU 4 10.847 20.525 29.989 1.00 0.00 ATOM 9 CA GLU 4 10.418 21.923 29.975 1.00 0.00 ATOM 10 CB GLU 4 11.013 22.679 31.164 1.00 0.00 ATOM 11 CG GLU 4 10.545 22.172 32.520 1.00 0.00 ATOM 12 CD GLU 4 11.229 22.877 33.673 1.00 0.00 ATOM 13 OE1 GLU 4 12.058 23.775 33.413 1.00 0.00 ATOM 14 OE2 GLU 4 10.937 22.532 34.837 1.00 0.00 ATOM 15 O GLU 4 12.097 22.820 28.519 1.00 0.00 ATOM 16 C GLU 4 10.914 22.527 28.664 1.00 0.00 ATOM 17 N THR 5 10.025 22.666 27.694 1.00 0.00 ATOM 18 CA THR 5 10.411 23.054 26.352 1.00 0.00 ATOM 19 CB THR 5 9.740 22.162 25.292 1.00 0.00 ATOM 20 CG2 THR 5 10.157 22.591 23.893 1.00 0.00 ATOM 21 OG1 THR 5 10.129 20.798 25.494 1.00 0.00 ATOM 22 O THR 5 8.898 24.895 26.451 1.00 0.00 ATOM 23 C THR 5 10.000 24.493 26.096 1.00 0.00 ATOM 24 N PHE 6 10.907 25.270 25.505 1.00 0.00 ATOM 25 CA PHE 6 10.621 26.628 25.068 1.00 0.00 ATOM 26 CB PHE 6 11.425 27.636 25.891 1.00 0.00 ATOM 27 CG PHE 6 12.912 27.515 25.715 1.00 0.00 ATOM 28 CD1 PHE 6 13.569 28.240 24.737 1.00 0.00 ATOM 29 CD2 PHE 6 13.653 26.674 26.527 1.00 0.00 ATOM 30 CE1 PHE 6 14.937 28.129 24.575 1.00 0.00 ATOM 31 CE2 PHE 6 15.021 26.563 26.365 1.00 0.00 ATOM 32 CZ PHE 6 15.664 27.285 25.394 1.00 0.00 ATOM 33 O PHE 6 11.982 26.189 23.144 1.00 0.00 ATOM 34 C PHE 6 10.999 26.773 23.598 1.00 0.00 ATOM 35 N ASP 7 10.218 27.575 22.880 1.00 0.00 ATOM 36 CA ASP 7 10.502 27.951 21.501 1.00 0.00 ATOM 37 CB ASP 7 9.279 27.702 20.616 1.00 0.00 ATOM 38 CG ASP 7 9.007 26.226 20.402 1.00 0.00 ATOM 39 OD1 ASP 7 9.877 25.403 20.755 1.00 0.00 ATOM 40 OD2 ASP 7 7.923 25.892 19.878 1.00 0.00 ATOM 41 O ASP 7 10.130 30.255 22.018 1.00 0.00 ATOM 42 C ASP 7 10.861 29.430 21.461 1.00 0.00 ATOM 43 N VAL 8 11.956 29.761 20.794 1.00 0.00 ATOM 44 CA VAL 8 12.466 31.128 20.723 1.00 0.00 ATOM 45 CB VAL 8 13.748 31.297 21.560 1.00 0.00 ATOM 46 CG1 VAL 8 14.273 32.721 21.449 1.00 0.00 ATOM 47 CG2 VAL 8 13.469 31.002 23.025 1.00 0.00 ATOM 48 O VAL 8 13.554 30.677 18.634 1.00 0.00 ATOM 49 C VAL 8 12.766 31.407 19.246 1.00 0.00 ATOM 50 N GLU 9 12.153 32.449 18.675 1.00 0.00 ATOM 51 CA GLU 9 12.416 32.871 17.296 1.00 0.00 ATOM 52 CB GLU 9 11.105 33.164 16.565 1.00 0.00 ATOM 53 CG GLU 9 10.237 31.939 16.335 1.00 0.00 ATOM 54 CD GLU 9 8.979 32.254 15.551 1.00 0.00 ATOM 55 OE1 GLU 9 8.813 33.421 15.137 1.00 0.00 ATOM 56 OE2 GLU 9 8.157 31.336 15.348 1.00 0.00 ATOM 57 O GLU 9 12.816 35.154 17.857 1.00 0.00 ATOM 58 C GLU 9 13.266 34.128 17.355 1.00 0.00 ATOM 59 N LEU 10 14.489 34.041 16.849 1.00 0.00 ATOM 60 CA LEU 10 15.442 35.150 16.894 1.00 0.00 ATOM 61 CB LEU 10 16.759 34.699 17.527 1.00 0.00 ATOM 62 CG LEU 10 16.675 34.148 18.953 1.00 0.00 ATOM 63 CD1 LEU 10 18.037 33.662 19.423 1.00 0.00 ATOM 64 CD2 LEU 10 16.193 35.223 19.915 1.00 0.00 ATOM 65 O LEU 10 15.818 34.946 14.542 1.00 0.00 ATOM 66 C LEU 10 15.754 35.685 15.517 1.00 0.00 ATOM 67 N THR 11 15.958 36.992 15.468 1.00 0.00 ATOM 68 CA THR 11 16.461 37.693 14.300 1.00 0.00 ATOM 69 CB THR 11 15.838 39.095 14.171 1.00 0.00 ATOM 70 CG2 THR 11 16.396 39.816 12.952 1.00 0.00 ATOM 71 OG1 THR 11 14.417 38.979 14.033 1.00 0.00 ATOM 72 O THR 11 18.440 38.336 15.485 1.00 0.00 ATOM 73 C THR 11 17.969 37.809 14.476 1.00 0.00 ATOM 74 N LYS 12 18.747 37.322 13.521 1.00 0.00 ATOM 75 CA LYS 12 20.207 37.300 13.715 1.00 0.00 ATOM 76 CB LYS 12 20.906 36.774 12.460 1.00 0.00 ATOM 77 CG LYS 12 22.418 36.679 12.584 1.00 0.00 ATOM 78 CD LYS 12 23.038 36.085 11.331 1.00 0.00 ATOM 79 CE LYS 12 24.554 36.035 11.436 1.00 0.00 ATOM 80 NZ LYS 12 25.178 35.477 10.205 1.00 0.00 ATOM 81 O LYS 12 21.579 38.866 14.967 1.00 0.00 ATOM 82 C LYS 12 20.814 38.683 14.014 1.00 0.00 ATOM 83 N ASN 13 20.479 39.638 13.180 1.00 0.00 ATOM 84 CA ASN 13 20.895 40.997 13.353 1.00 0.00 ATOM 85 CB ASN 13 20.559 41.485 14.764 1.00 0.00 ATOM 86 CG ASN 13 19.067 41.624 14.992 1.00 0.00 ATOM 87 ND2 ASN 13 18.643 41.472 16.242 1.00 0.00 ATOM 88 OD1 ASN 13 18.305 41.866 14.057 1.00 0.00 ATOM 89 O ASN 13 23.138 40.351 12.756 1.00 0.00 ATOM 90 C ASN 13 22.384 41.227 13.165 1.00 0.00 ATOM 91 N VAL 14 22.835 42.444 13.475 1.00 0.00 ATOM 92 CA VAL 14 24.216 42.855 13.223 1.00 0.00 ATOM 93 CB VAL 14 24.465 44.306 13.678 1.00 0.00 ATOM 94 CG1 VAL 14 25.945 44.646 13.589 1.00 0.00 ATOM 95 CG2 VAL 14 23.696 45.279 12.796 1.00 0.00 ATOM 96 O VAL 14 26.408 41.998 13.429 1.00 0.00 ATOM 97 C VAL 14 25.285 42.043 13.915 1.00 0.00 ATOM 98 N GLN 15 24.973 41.447 15.063 1.00 0.00 ATOM 99 CA GLN 15 25.959 40.674 15.813 1.00 0.00 ATOM 100 CB GLN 15 25.995 41.125 17.274 1.00 0.00 ATOM 101 CG GLN 15 26.298 42.603 17.460 1.00 0.00 ATOM 102 CD GLN 15 27.690 42.975 16.988 1.00 0.00 ATOM 103 OE1 GLN 15 28.661 42.275 17.274 1.00 0.00 ATOM 104 NE2 GLN 15 27.789 44.082 16.260 1.00 0.00 ATOM 105 O GLN 15 26.350 38.413 16.458 1.00 0.00 ATOM 106 C GLN 15 25.658 39.177 15.805 1.00 0.00 ATOM 107 N GLY 16 24.676 38.742 15.023 1.00 0.00 ATOM 108 CA GLY 16 24.346 37.332 14.930 1.00 0.00 ATOM 109 O GLY 16 23.279 37.530 17.075 1.00 0.00 ATOM 110 C GLY 16 23.577 36.809 16.126 1.00 0.00 ATOM 111 N LEU 17 23.295 35.514 16.094 1.00 0.00 ATOM 112 CA LEU 17 22.573 34.855 17.180 1.00 0.00 ATOM 113 CB LEU 17 22.412 33.362 16.890 1.00 0.00 ATOM 114 CG LEU 17 21.464 32.992 15.747 1.00 0.00 ATOM 115 CD1 LEU 17 21.537 31.503 15.449 1.00 0.00 ATOM 116 CD2 LEU 17 20.027 33.334 16.109 1.00 0.00 ATOM 117 O LEU 17 22.655 35.125 19.547 1.00 0.00 ATOM 118 C LEU 17 23.294 34.986 18.517 1.00 0.00 ATOM 119 N GLY 18 24.613 34.876 18.507 1.00 0.00 ATOM 120 CA GLY 18 25.404 35.176 19.704 1.00 0.00 ATOM 121 O GLY 18 25.000 34.558 21.987 1.00 0.00 ATOM 122 C GLY 18 25.244 34.179 20.842 1.00 0.00 ATOM 123 N ILE 19 25.410 32.898 20.547 1.00 0.00 ATOM 124 CA ILE 19 25.580 31.910 21.620 1.00 0.00 ATOM 125 CB ILE 19 24.230 31.307 22.051 1.00 0.00 ATOM 126 CG1 ILE 19 23.510 30.696 20.846 1.00 0.00 ATOM 127 CG2 ILE 19 23.335 32.379 22.653 1.00 0.00 ATOM 128 CD1 ILE 19 22.258 29.928 21.208 1.00 0.00 ATOM 129 O ILE 19 26.538 30.471 19.969 1.00 0.00 ATOM 130 C ILE 19 26.470 30.780 21.158 1.00 0.00 ATOM 131 N THR 20 27.165 30.181 22.107 1.00 0.00 ATOM 132 CA THR 20 28.041 29.062 21.856 1.00 0.00 ATOM 133 CB THR 20 29.370 29.204 22.621 1.00 0.00 ATOM 134 CG2 THR 20 30.094 30.474 22.201 1.00 0.00 ATOM 135 OG1 THR 20 29.109 29.262 24.030 1.00 0.00 ATOM 136 O THR 20 26.620 27.772 23.263 1.00 0.00 ATOM 137 C THR 20 27.384 27.773 22.295 1.00 0.00 ATOM 138 N ILE 21 27.748 26.685 21.619 1.00 0.00 ATOM 139 CA ILE 21 27.231 25.369 21.934 1.00 0.00 ATOM 140 CB ILE 21 26.318 24.838 20.812 1.00 0.00 ATOM 141 CG1 ILE 21 27.093 24.740 19.496 1.00 0.00 ATOM 142 CG2 ILE 21 25.134 25.768 20.604 1.00 0.00 ATOM 143 CD1 ILE 21 26.328 24.050 18.388 1.00 0.00 ATOM 144 O ILE 21 29.391 24.449 21.436 1.00 0.00 ATOM 145 C ILE 21 28.361 24.375 22.118 1.00 0.00 ATOM 146 N ALA 22 28.133 23.420 23.005 1.00 0.00 ATOM 147 CA ALA 22 28.984 22.259 23.189 1.00 0.00 ATOM 148 CB ALA 22 29.653 22.304 24.555 1.00 0.00 ATOM 149 O ALA 22 26.937 21.087 22.721 1.00 0.00 ATOM 150 C ALA 22 28.110 21.008 23.082 1.00 0.00 ATOM 151 N GLY 23 28.672 19.856 23.422 1.00 0.00 ATOM 152 CA GLY 23 27.954 18.602 23.281 1.00 0.00 ATOM 153 O GLY 23 28.709 18.511 21.003 1.00 0.00 ATOM 154 C GLY 23 27.996 18.036 21.875 1.00 0.00 ATOM 155 N TYR 24 27.227 16.978 21.676 1.00 0.00 ATOM 156 CA TYR 24 27.163 16.241 20.418 1.00 0.00 ATOM 157 CB TYR 24 27.867 17.020 19.304 1.00 0.00 ATOM 158 CG TYR 24 29.356 17.178 19.514 1.00 0.00 ATOM 159 CD1 TYR 24 30.244 16.207 19.067 1.00 0.00 ATOM 160 CD2 TYR 24 29.869 18.296 20.159 1.00 0.00 ATOM 161 CE1 TYR 24 31.606 16.343 19.255 1.00 0.00 ATOM 162 CE2 TYR 24 31.229 18.448 20.355 1.00 0.00 ATOM 163 CZ TYR 24 32.096 17.460 19.897 1.00 0.00 ATOM 164 OH TYR 24 33.453 17.597 20.084 1.00 0.00 ATOM 165 O TYR 24 28.645 14.591 21.372 1.00 0.00 ATOM 166 C TYR 24 27.821 14.878 20.492 1.00 0.00 ATOM 167 N ILE 25 27.478 14.043 19.522 1.00 0.00 ATOM 168 CA ILE 25 28.116 12.745 19.333 1.00 0.00 ATOM 169 CB ILE 25 27.623 12.056 18.046 1.00 0.00 ATOM 170 CG1 ILE 25 26.141 11.699 18.168 1.00 0.00 ATOM 171 CG2 ILE 25 28.408 10.778 17.793 1.00 0.00 ATOM 172 CD1 ILE 25 25.532 11.174 16.885 1.00 0.00 ATOM 173 O ILE 25 30.063 13.792 18.495 1.00 0.00 ATOM 174 C ILE 25 29.617 12.945 19.236 1.00 0.00 ATOM 175 N GLY 26 30.382 12.179 20.006 1.00 0.00 ATOM 176 CA GLY 26 31.836 12.301 20.032 1.00 0.00 ATOM 177 O GLY 26 33.561 13.783 20.749 1.00 0.00 ATOM 178 C GLY 26 32.364 13.518 20.783 1.00 0.00 ATOM 179 N ASP 27 30.754 14.654 24.139 1.00 0.00 ATOM 180 CA ASP 27 29.692 14.662 25.150 1.00 0.00 ATOM 181 CB ASP 27 29.583 13.292 25.824 1.00 0.00 ATOM 182 CG ASP 27 28.965 12.246 24.920 1.00 0.00 ATOM 183 OD1 ASP 27 28.445 12.619 23.847 1.00 0.00 ATOM 184 OD2 ASP 27 28.999 11.051 25.284 1.00 0.00 ATOM 185 O ASP 27 30.999 15.771 26.837 1.00 0.00 ATOM 186 C ASP 27 29.916 15.684 26.256 1.00 0.00 ATOM 187 N LYS 28 28.862 16.411 26.578 1.00 0.00 ATOM 188 CA LYS 28 28.852 17.356 27.683 1.00 0.00 ATOM 189 CB LYS 28 27.663 18.311 27.560 1.00 0.00 ATOM 190 CG LYS 28 27.616 19.385 28.636 1.00 0.00 ATOM 191 CD LYS 28 26.518 20.397 28.357 1.00 0.00 ATOM 192 CE LYS 28 26.473 21.473 29.429 1.00 0.00 ATOM 193 NZ LYS 28 25.433 22.500 29.144 1.00 0.00 ATOM 194 O LYS 28 29.297 17.129 30.033 1.00 0.00 ATOM 195 C LYS 28 28.745 16.650 29.039 1.00 0.00 ATOM 196 N LYS 29 27.991 15.549 29.079 1.00 0.00 ATOM 197 CA LYS 29 27.799 14.713 30.269 1.00 0.00 ATOM 198 CB LYS 29 26.421 14.965 30.884 1.00 0.00 ATOM 199 CG LYS 29 26.249 16.355 31.475 1.00 0.00 ATOM 200 CD LYS 29 24.894 16.506 32.146 1.00 0.00 ATOM 201 CE LYS 29 24.723 17.895 32.739 1.00 0.00 ATOM 202 NZ LYS 29 23.388 18.067 33.374 1.00 0.00 ATOM 203 O LYS 29 27.453 12.965 28.697 1.00 0.00 ATOM 204 C LYS 29 27.925 13.272 29.785 1.00 0.00 ATOM 205 N LEU 30 28.581 12.374 30.553 1.00 0.00 ATOM 206 CA LEU 30 28.774 11.012 30.022 1.00 0.00 ATOM 207 CB LEU 30 29.522 10.143 31.035 1.00 0.00 ATOM 208 CG LEU 30 29.868 8.723 30.584 1.00 0.00 ATOM 209 CD1 LEU 30 30.865 8.751 29.434 1.00 0.00 ATOM 210 CD2 LEU 30 30.485 7.932 31.728 1.00 0.00 ATOM 211 O LEU 30 26.601 10.126 30.538 1.00 0.00 ATOM 212 C LEU 30 27.483 10.277 29.697 1.00 0.00 ATOM 213 N GLU 31 27.391 9.814 28.454 1.00 0.00 ATOM 214 CA GLU 31 26.205 9.153 27.936 1.00 0.00 ATOM 215 CB GLU 31 25.428 8.480 29.068 1.00 0.00 ATOM 216 CG GLU 31 26.163 7.319 29.720 1.00 0.00 ATOM 217 CD GLU 31 25.387 6.711 30.872 1.00 0.00 ATOM 218 OE1 GLU 31 24.287 7.216 31.179 1.00 0.00 ATOM 219 OE2 GLU 31 25.878 5.728 31.466 1.00 0.00 ATOM 220 O GLU 31 24.268 9.576 26.641 1.00 0.00 ATOM 221 C GLU 31 25.222 10.064 27.240 1.00 0.00 ATOM 222 N PRO 32 25.455 11.374 27.307 1.00 0.00 ATOM 223 CA PRO 32 24.514 12.368 26.793 1.00 0.00 ATOM 224 CB PRO 32 24.312 13.330 27.967 1.00 0.00 ATOM 225 CG PRO 32 25.592 13.259 28.730 1.00 0.00 ATOM 226 CD PRO 32 26.109 11.859 28.550 1.00 0.00 ATOM 227 O PRO 32 26.134 13.751 25.706 1.00 0.00 ATOM 228 C PRO 32 25.130 13.056 25.580 1.00 0.00 ATOM 229 N SER 33 24.536 12.846 24.409 1.00 0.00 ATOM 230 CA SER 33 24.977 13.498 23.179 1.00 0.00 ATOM 231 CB SER 33 24.718 12.595 21.971 1.00 0.00 ATOM 232 OG SER 33 23.330 12.365 21.796 1.00 0.00 ATOM 233 O SER 33 24.528 15.395 21.827 1.00 0.00 ATOM 234 C SER 33 24.286 14.817 22.883 1.00 0.00 ATOM 235 N GLY 34 23.446 15.302 23.795 1.00 0.00 ATOM 236 CA GLY 34 22.709 16.533 23.558 1.00 0.00 ATOM 237 O GLY 34 24.749 17.802 23.855 1.00 0.00 ATOM 238 C GLY 34 23.635 17.720 23.319 1.00 0.00 ATOM 239 N ILE 35 23.120 18.683 22.561 1.00 0.00 ATOM 240 CA ILE 35 23.771 19.968 22.342 1.00 0.00 ATOM 241 CB ILE 35 23.346 20.595 21.001 1.00 0.00 ATOM 242 CG1 ILE 35 23.668 19.647 19.843 1.00 0.00 ATOM 243 CG2 ILE 35 24.079 21.907 20.770 1.00 0.00 ATOM 244 CD1 ILE 35 25.139 19.321 19.714 1.00 0.00 ATOM 245 O ILE 35 22.165 21.046 23.768 1.00 0.00 ATOM 246 C ILE 35 23.362 20.894 23.488 1.00 0.00 ATOM 247 N PHE 36 24.345 21.537 24.123 1.00 0.00 ATOM 248 CA PHE 36 24.105 22.458 25.244 1.00 0.00 ATOM 249 CB PHE 36 24.832 21.975 26.499 1.00 0.00 ATOM 250 CG PHE 36 24.335 20.657 27.019 1.00 0.00 ATOM 251 CD1 PHE 36 24.927 19.471 26.619 1.00 0.00 ATOM 252 CD2 PHE 36 23.276 20.602 27.908 1.00 0.00 ATOM 253 CE1 PHE 36 24.469 18.258 27.096 1.00 0.00 ATOM 254 CE2 PHE 36 22.818 19.388 28.385 1.00 0.00 ATOM 255 CZ PHE 36 23.410 18.220 27.984 1.00 0.00 ATOM 256 O PHE 36 25.688 24.005 24.362 1.00 0.00 ATOM 257 C PHE 36 24.605 23.848 24.907 1.00 0.00 ATOM 258 N VAL 37 23.836 24.855 25.290 1.00 0.00 ATOM 259 CA VAL 37 24.287 26.236 25.207 1.00 0.00 ATOM 260 CB VAL 37 23.107 27.221 25.284 1.00 0.00 ATOM 261 CG1 VAL 37 23.609 28.656 25.267 1.00 0.00 ATOM 262 CG2 VAL 37 22.171 27.026 24.101 1.00 0.00 ATOM 263 O VAL 37 24.887 26.374 27.546 1.00 0.00 ATOM 264 C VAL 37 25.242 26.533 26.367 1.00 0.00 ATOM 265 N LYS 38 26.449 26.964 26.035 1.00 0.00 ATOM 266 CA LYS 38 27.494 27.182 27.032 1.00 0.00 ATOM 267 CB LYS 38 28.782 26.464 26.624 1.00 0.00 ATOM 268 CG LYS 38 28.622 24.964 26.432 1.00 0.00 ATOM 269 CD LYS 38 28.280 24.273 27.741 1.00 0.00 ATOM 270 CE LYS 38 28.252 22.761 27.578 1.00 0.00 ATOM 271 NZ LYS 38 27.906 22.072 28.851 1.00 0.00 ATOM 272 O LYS 38 28.513 28.952 28.254 1.00 0.00 ATOM 273 C LYS 38 27.873 28.644 27.250 1.00 0.00 ATOM 274 N SER 39 27.514 29.543 26.331 1.00 0.00 ATOM 275 CA SER 39 27.826 30.971 26.450 1.00 0.00 ATOM 276 CB SER 39 29.179 31.279 25.807 1.00 0.00 ATOM 277 OG SER 39 29.478 32.662 25.889 1.00 0.00 ATOM 278 O SER 39 26.280 31.355 24.689 1.00 0.00 ATOM 279 C SER 39 26.751 31.775 25.751 1.00 0.00 ATOM 280 N ILE 40 26.402 32.928 26.325 1.00 0.00 ATOM 281 CA ILE 40 25.557 33.928 25.677 1.00 0.00 ATOM 282 CB ILE 40 24.387 34.352 26.584 1.00 0.00 ATOM 283 CG1 ILE 40 23.514 33.145 26.928 1.00 0.00 ATOM 284 CG2 ILE 40 23.521 35.390 25.885 1.00 0.00 ATOM 285 CD1 ILE 40 22.463 33.430 27.979 1.00 0.00 ATOM 286 O ILE 40 26.990 35.730 26.336 1.00 0.00 ATOM 287 C ILE 40 26.478 35.108 25.401 1.00 0.00 ATOM 288 N THR 41 26.716 35.396 24.128 1.00 0.00 ATOM 289 CA THR 41 27.709 36.377 23.708 1.00 0.00 ATOM 290 CB THR 41 28.100 36.189 22.229 1.00 0.00 ATOM 291 CG2 THR 41 29.126 37.230 21.814 1.00 0.00 ATOM 292 OG1 THR 41 28.660 34.884 22.044 1.00 0.00 ATOM 293 O THR 41 26.029 38.103 23.474 1.00 0.00 ATOM 294 C THR 41 27.154 37.798 23.877 1.00 0.00 ATOM 295 N LYS 42 27.946 38.679 24.474 1.00 0.00 ATOM 296 CA LYS 42 27.477 40.031 24.687 1.00 0.00 ATOM 297 CB LYS 42 28.526 40.847 25.445 1.00 0.00 ATOM 298 CG LYS 42 28.085 42.262 25.784 1.00 0.00 ATOM 299 CD LYS 42 29.136 42.985 26.612 1.00 0.00 ATOM 300 CE LYS 42 28.702 44.404 26.936 1.00 0.00 ATOM 301 NZ LYS 42 29.717 45.120 27.759 1.00 0.00 ATOM 302 O LYS 42 28.053 40.655 22.453 1.00 0.00 ATOM 303 C LYS 42 27.210 40.702 23.349 1.00 0.00 ATOM 304 N SER 43 26.053 41.345 23.239 1.00 0.00 ATOM 305 CA SER 43 25.668 42.095 22.042 1.00 0.00 ATOM 306 CB SER 43 26.909 42.626 21.321 1.00 0.00 ATOM 307 OG SER 43 27.621 41.577 20.690 1.00 0.00 ATOM 308 O SER 43 24.397 41.919 20.061 1.00 0.00 ATOM 309 C SER 43 24.894 41.317 21.004 1.00 0.00 ATOM 310 N SER 44 24.800 40.004 21.155 1.00 0.00 ATOM 311 CA SER 44 24.112 39.173 20.177 1.00 0.00 ATOM 312 CB SER 44 24.616 37.730 20.252 1.00 0.00 ATOM 313 OG SER 44 24.242 37.122 21.476 1.00 0.00 ATOM 314 O SER 44 22.073 39.650 21.365 1.00 0.00 ATOM 315 C SER 44 22.612 39.135 20.387 1.00 0.00 ATOM 316 N ALA 45 21.930 38.482 19.458 1.00 0.00 ATOM 317 CA ALA 45 20.470 38.407 19.488 1.00 0.00 ATOM 318 CB ALA 45 19.952 37.693 18.249 1.00 0.00 ATOM 319 O ALA 45 18.945 37.997 21.283 1.00 0.00 ATOM 320 C ALA 45 19.971 37.644 20.712 1.00 0.00 ATOM 321 N VAL 46 20.671 36.586 21.094 1.00 0.00 ATOM 322 CA VAL 46 20.220 35.778 22.219 1.00 0.00 ATOM 323 CB VAL 46 21.148 34.572 22.454 1.00 0.00 ATOM 324 CG1 VAL 46 20.778 33.858 23.746 1.00 0.00 ATOM 325 CG2 VAL 46 21.032 33.579 21.308 1.00 0.00 ATOM 326 O VAL 46 19.260 36.522 24.286 1.00 0.00 ATOM 327 C VAL 46 20.199 36.610 23.494 1.00 0.00 ATOM 328 N GLU 47 21.245 37.405 23.718 1.00 0.00 ATOM 329 CA GLU 47 21.308 38.263 24.901 1.00 0.00 ATOM 330 CB GLU 47 22.634 39.027 24.938 1.00 0.00 ATOM 331 CG GLU 47 22.805 39.912 26.162 1.00 0.00 ATOM 332 CD GLU 47 24.142 40.626 26.182 1.00 0.00 ATOM 333 OE1 GLU 47 24.941 40.417 25.244 1.00 0.00 ATOM 334 OE2 GLU 47 24.392 41.394 27.135 1.00 0.00 ATOM 335 O GLU 47 19.489 39.485 25.879 1.00 0.00 ATOM 336 C GLU 47 20.164 39.275 24.879 1.00 0.00 ATOM 337 N HIS 48 19.997 39.960 23.751 1.00 0.00 ATOM 338 CA HIS 48 18.985 40.999 23.651 1.00 0.00 ATOM 339 CB HIS 48 18.949 41.579 22.235 1.00 0.00 ATOM 340 CG HIS 48 17.931 42.660 22.052 1.00 0.00 ATOM 341 CD2 HIS 48 16.650 42.776 21.369 1.00 0.00 ATOM 342 ND1 HIS 48 18.078 43.920 22.591 1.00 0.00 ATOM 343 CE1 HIS 48 17.010 44.668 22.257 1.00 0.00 ATOM 344 NE2 HIS 48 16.150 43.987 21.525 1.00 0.00 ATOM 345 O HIS 48 16.834 41.025 24.743 1.00 0.00 ATOM 346 C HIS 48 17.602 40.439 23.977 1.00 0.00 ATOM 347 N ASP 49 17.302 39.273 23.430 1.00 0.00 ATOM 348 CA ASP 49 16.006 38.649 23.638 1.00 0.00 ATOM 349 CB ASP 49 15.827 37.457 22.697 1.00 0.00 ATOM 350 CG ASP 49 14.445 36.844 22.787 1.00 0.00 ATOM 351 OD1 ASP 49 13.459 37.551 22.487 1.00 0.00 ATOM 352 OD2 ASP 49 14.344 35.656 23.160 1.00 0.00 ATOM 353 O ASP 49 14.747 38.215 25.628 1.00 0.00 ATOM 354 C ASP 49 15.839 38.136 25.071 1.00 0.00 ATOM 355 N GLY 50 16.910 37.574 25.625 1.00 0.00 ATOM 356 CA GLY 50 16.960 37.189 27.029 1.00 0.00 ATOM 357 O GLY 50 16.596 35.394 28.551 1.00 0.00 ATOM 358 C GLY 50 16.408 35.825 27.416 1.00 0.00 ATOM 359 N ARG 51 15.718 35.130 26.522 1.00 0.00 ATOM 360 CA ARG 51 15.059 33.871 26.891 1.00 0.00 ATOM 361 CB ARG 51 13.971 33.517 25.876 1.00 0.00 ATOM 362 CG ARG 51 12.756 34.428 25.925 1.00 0.00 ATOM 363 CD ARG 51 11.760 34.081 24.831 1.00 0.00 ATOM 364 NE ARG 51 10.562 34.914 24.894 1.00 0.00 ATOM 365 CZ ARG 51 9.600 34.912 23.978 1.00 0.00 ATOM 366 NH1 ARG 51 8.547 35.704 24.119 1.00 0.00 ATOM 367 NH2 ARG 51 9.692 34.115 22.922 1.00 0.00 ATOM 368 O ARG 51 15.850 31.809 27.819 1.00 0.00 ATOM 369 C ARG 51 16.008 32.677 26.954 1.00 0.00 ATOM 370 N ILE 52 16.971 32.612 26.045 1.00 0.00 ATOM 371 CA ILE 52 17.951 31.533 26.072 1.00 0.00 ATOM 372 CB ILE 52 18.777 31.488 24.773 1.00 0.00 ATOM 373 CG1 ILE 52 17.878 31.149 23.581 1.00 0.00 ATOM 374 CG2 ILE 52 19.866 30.432 24.871 1.00 0.00 ATOM 375 CD1 ILE 52 18.549 31.332 22.239 1.00 0.00 ATOM 376 O ILE 52 19.277 32.859 27.556 1.00 0.00 ATOM 377 C ILE 52 18.901 31.735 27.232 1.00 0.00 ATOM 378 N GLN 53 19.294 30.628 27.842 1.00 0.00 ATOM 379 CA GLN 53 20.148 30.637 29.028 1.00 0.00 ATOM 380 CB GLN 53 19.327 30.333 30.283 1.00 0.00 ATOM 381 CG GLN 53 18.279 31.387 30.607 1.00 0.00 ATOM 382 CD GLN 53 17.523 31.081 31.886 1.00 0.00 ATOM 383 OE1 GLN 53 17.821 30.108 32.578 1.00 0.00 ATOM 384 NE2 GLN 53 16.540 31.916 32.204 1.00 0.00 ATOM 385 O GLN 53 21.025 28.504 28.349 1.00 0.00 ATOM 386 C GLN 53 21.243 29.581 28.899 1.00 0.00 ATOM 387 N ILE 54 22.413 29.866 29.463 1.00 0.00 ATOM 388 CA ILE 54 23.448 28.848 29.618 1.00 0.00 ATOM 389 CB ILE 54 24.632 29.368 30.452 1.00 0.00 ATOM 390 CG1 ILE 54 25.359 30.490 29.706 1.00 0.00 ATOM 391 CG2 ILE 54 25.624 28.248 30.727 1.00 0.00 ATOM 392 CD1 ILE 54 26.428 31.174 30.526 1.00 0.00 ATOM 393 O ILE 54 22.115 27.791 31.325 1.00 0.00 ATOM 394 C ILE 54 22.830 27.645 30.322 1.00 0.00 ATOM 395 N GLY 55 23.088 26.465 29.768 1.00 0.00 ATOM 396 CA GLY 55 22.568 25.214 30.305 1.00 0.00 ATOM 397 O GLY 55 21.019 23.501 29.707 1.00 0.00 ATOM 398 C GLY 55 21.392 24.662 29.520 1.00 0.00 ATOM 399 N ASP 56 20.794 25.470 28.646 1.00 0.00 ATOM 400 CA ASP 56 19.713 24.975 27.798 1.00 0.00 ATOM 401 CB ASP 56 19.115 26.115 26.972 1.00 0.00 ATOM 402 CG ASP 56 18.275 27.060 27.806 1.00 0.00 ATOM 403 OD1 ASP 56 18.001 26.733 28.981 1.00 0.00 ATOM 404 OD2 ASP 56 17.887 28.128 27.285 1.00 0.00 ATOM 405 O ASP 56 21.371 23.977 26.374 1.00 0.00 ATOM 406 C ASP 56 20.237 23.912 26.847 1.00 0.00 ATOM 407 N GLN 57 19.394 22.928 26.560 1.00 0.00 ATOM 408 CA GLN 57 19.688 21.923 25.541 1.00 0.00 ATOM 409 CB GLN 57 19.187 20.547 25.983 1.00 0.00 ATOM 410 CG GLN 57 19.518 19.425 25.015 1.00 0.00 ATOM 411 CD GLN 57 19.075 18.067 25.523 1.00 0.00 ATOM 412 OE1 GLN 57 18.559 17.947 26.633 1.00 0.00 ATOM 413 NE2 GLN 57 19.277 17.037 24.708 1.00 0.00 ATOM 414 O GLN 57 17.787 22.574 24.253 1.00 0.00 ATOM 415 C GLN 57 18.990 22.328 24.257 1.00 0.00 ATOM 416 N ILE 58 19.746 22.395 23.176 1.00 0.00 ATOM 417 CA ILE 58 19.200 22.803 21.889 1.00 0.00 ATOM 418 CB ILE 58 20.283 23.422 20.986 1.00 0.00 ATOM 419 CG1 ILE 58 20.889 24.660 21.653 1.00 0.00 ATOM 420 CG2 ILE 58 19.689 23.839 19.649 1.00 0.00 ATOM 421 CD1 ILE 58 22.103 25.207 20.935 1.00 0.00 ATOM 422 O ILE 58 19.366 20.692 20.735 1.00 0.00 ATOM 423 C ILE 58 18.622 21.568 21.196 1.00 0.00 ATOM 424 N ILE 59 17.299 21.487 21.160 1.00 0.00 ATOM 425 CA ILE 59 16.592 20.353 20.582 1.00 0.00 ATOM 426 CB ILE 59 15.163 20.232 21.144 1.00 0.00 ATOM 427 CG1 ILE 59 15.204 19.891 22.636 1.00 0.00 ATOM 428 CG2 ILE 59 14.396 19.137 20.420 1.00 0.00 ATOM 429 CD1 ILE 59 13.859 19.993 23.322 1.00 0.00 ATOM 430 O ILE 59 16.421 19.372 18.410 1.00 0.00 ATOM 431 C ILE 59 16.435 20.408 19.064 1.00 0.00 ATOM 432 N ALA 60 16.254 21.617 18.524 1.00 0.00 ATOM 433 CA ALA 60 16.028 21.788 17.085 1.00 0.00 ATOM 434 CB ALA 60 14.573 21.507 16.740 1.00 0.00 ATOM 435 O ALA 60 16.220 24.145 17.455 1.00 0.00 ATOM 436 C ALA 60 16.356 23.198 16.669 1.00 0.00 ATOM 437 N VAL 61 16.762 23.318 15.412 1.00 0.00 ATOM 438 CA VAL 61 16.894 24.585 14.702 1.00 0.00 ATOM 439 CB VAL 61 18.347 24.836 14.260 1.00 0.00 ATOM 440 CG1 VAL 61 18.452 26.144 13.491 1.00 0.00 ATOM 441 CG2 VAL 61 19.267 24.913 15.469 1.00 0.00 ATOM 442 O VAL 61 16.139 23.537 12.686 1.00 0.00 ATOM 443 C VAL 61 15.978 24.467 13.492 1.00 0.00 ATOM 444 N ASP 62 15.007 25.362 13.365 1.00 0.00 ATOM 445 CA ASP 62 14.007 25.247 12.300 1.00 0.00 ATOM 446 CB ASP 62 14.638 25.540 10.937 1.00 0.00 ATOM 447 CG ASP 62 13.605 25.735 9.845 1.00 0.00 ATOM 448 OD1 ASP 62 12.725 26.607 10.010 1.00 0.00 ATOM 449 OD2 ASP 62 13.676 25.019 8.826 1.00 0.00 ATOM 450 O ASP 62 12.987 23.370 13.352 1.00 0.00 ATOM 451 C ASP 62 13.438 23.824 12.293 1.00 0.00 ATOM 452 N GLY 63 13.466 23.119 11.161 1.00 0.00 ATOM 453 CA GLY 63 12.949 21.749 11.077 1.00 0.00 ATOM 454 O GLY 63 13.782 19.515 10.901 1.00 0.00 ATOM 455 C GLY 63 14.016 20.677 11.261 1.00 0.00 ATOM 456 N THR 64 15.180 21.047 11.785 1.00 0.00 ATOM 457 CA THR 64 16.284 20.113 11.959 1.00 0.00 ATOM 458 CB THR 64 17.625 20.738 11.531 1.00 0.00 ATOM 459 CG2 THR 64 18.764 19.749 11.737 1.00 0.00 ATOM 460 OG1 THR 64 17.568 21.096 10.145 1.00 0.00 ATOM 461 O THR 64 16.678 20.523 14.298 1.00 0.00 ATOM 462 C THR 64 16.407 19.695 13.424 1.00 0.00 ATOM 463 N ASN 65 16.201 18.411 13.683 1.00 0.00 ATOM 464 CA ASN 65 16.277 17.862 15.041 1.00 0.00 ATOM 465 CB ASN 65 15.517 16.538 15.128 1.00 0.00 ATOM 466 CG ASN 65 14.018 16.716 14.996 1.00 0.00 ATOM 467 ND2 ASN 65 13.336 15.674 14.534 1.00 0.00 ATOM 468 OD1 ASN 65 13.480 17.780 15.306 1.00 0.00 ATOM 469 O ASN 65 18.467 16.933 14.683 1.00 0.00 ATOM 470 C ASN 65 17.739 17.622 15.409 1.00 0.00 ATOM 471 N LEU 66 18.159 18.186 16.532 1.00 0.00 ATOM 472 CA LEU 66 19.549 18.114 16.990 1.00 0.00 ATOM 473 CB LEU 66 20.081 19.512 17.308 1.00 0.00 ATOM 474 CG LEU 66 20.112 20.506 16.145 1.00 0.00 ATOM 475 CD1 LEU 66 20.554 21.881 16.625 1.00 0.00 ATOM 476 CD2 LEU 66 21.081 20.046 15.068 1.00 0.00 ATOM 477 O LEU 66 20.697 17.379 18.960 1.00 0.00 ATOM 478 C LEU 66 19.696 17.266 18.253 1.00 0.00 ATOM 479 N GLN 67 18.737 16.384 18.529 1.00 0.00 ATOM 480 CA GLN 67 18.812 15.559 19.739 1.00 0.00 ATOM 481 CB GLN 67 17.501 14.800 19.953 1.00 0.00 ATOM 482 CG GLN 67 16.323 15.688 20.322 1.00 0.00 ATOM 483 CD GLN 67 15.036 14.906 20.499 1.00 0.00 ATOM 484 OE1 GLN 67 15.022 13.681 20.378 1.00 0.00 ATOM 485 NE2 GLN 67 13.951 15.614 20.787 1.00 0.00 ATOM 486 O GLN 67 20.357 14.067 20.746 1.00 0.00 ATOM 487 C GLN 67 19.928 14.518 19.688 1.00 0.00 ATOM 488 N GLY 68 20.394 14.135 18.504 1.00 0.00 ATOM 489 CA GLY 68 21.453 13.130 18.389 1.00 0.00 ATOM 490 O GLY 68 22.081 12.617 16.124 1.00 0.00 ATOM 491 C GLY 68 22.263 13.336 17.109 1.00 0.00 ATOM 492 N PHE 69 23.148 14.332 17.148 1.00 0.00 ATOM 493 CA PHE 69 23.957 14.695 15.995 1.00 0.00 ATOM 494 CB PHE 69 23.383 15.934 15.306 1.00 0.00 ATOM 495 CG PHE 69 21.976 15.756 14.811 1.00 0.00 ATOM 496 CD1 PHE 69 20.899 16.124 15.598 1.00 0.00 ATOM 497 CD2 PHE 69 21.730 15.220 13.559 1.00 0.00 ATOM 498 CE1 PHE 69 19.603 15.960 15.143 1.00 0.00 ATOM 499 CE2 PHE 69 20.435 15.056 13.104 1.00 0.00 ATOM 500 CZ PHE 69 19.375 15.423 13.890 1.00 0.00 ATOM 501 O PHE 69 25.645 15.220 17.643 1.00 0.00 ATOM 502 C PHE 69 25.377 14.993 16.456 1.00 0.00 ATOM 503 N THR 70 26.282 15.030 15.487 1.00 0.00 ATOM 504 CA THR 70 27.634 15.540 15.703 1.00 0.00 ATOM 505 CB THR 70 28.518 15.339 14.458 1.00 0.00 ATOM 506 CG2 THR 70 28.631 13.861 14.118 1.00 0.00 ATOM 507 OG1 THR 70 27.941 16.030 13.342 1.00 0.00 ATOM 508 O THR 70 26.772 17.755 15.504 1.00 0.00 ATOM 509 C THR 70 27.612 17.023 16.015 1.00 0.00 ATOM 510 N ASN 71 28.576 17.481 16.818 1.00 0.00 ATOM 511 CA ASN 71 28.706 18.912 17.088 1.00 0.00 ATOM 512 CB ASN 71 29.945 19.186 17.943 1.00 0.00 ATOM 513 CG ASN 71 30.047 20.636 18.375 1.00 0.00 ATOM 514 ND2 ASN 71 31.097 21.314 17.926 1.00 0.00 ATOM 515 OD1 ASN 71 29.190 21.139 19.102 1.00 0.00 ATOM 516 O ASN 71 28.262 20.804 15.658 1.00 0.00 ATOM 517 C ASN 71 28.841 19.722 15.789 1.00 0.00 ATOM 518 N GLN 72 29.598 19.192 14.825 1.00 0.00 ATOM 519 CA GLN 72 29.802 19.900 13.565 1.00 0.00 ATOM 520 CB GLN 72 30.733 19.104 12.647 1.00 0.00 ATOM 521 CG GLN 72 32.180 19.068 13.114 1.00 0.00 ATOM 522 CD GLN 72 33.049 18.179 12.246 1.00 0.00 ATOM 523 OE1 GLN 72 32.556 17.509 11.338 1.00 0.00 ATOM 524 NE2 GLN 72 34.347 18.171 12.524 1.00 0.00 ATOM 525 O GLN 72 28.292 21.136 12.157 1.00 0.00 ATOM 526 C GLN 72 28.482 20.114 12.824 1.00 0.00 ATOM 527 N GLN 73 27.592 19.129 12.917 1.00 0.00 ATOM 528 CA GLN 73 26.279 19.197 12.293 1.00 0.00 ATOM 529 CB GLN 73 25.586 17.834 12.352 1.00 0.00 ATOM 530 CG GLN 73 24.258 17.781 11.615 1.00 0.00 ATOM 531 CD GLN 73 24.407 18.033 10.128 1.00 0.00 ATOM 532 OE1 GLN 73 25.296 17.479 9.481 1.00 0.00 ATOM 533 NE2 GLN 73 23.534 18.871 9.581 1.00 0.00 ATOM 534 O GLN 73 24.591 20.919 12.347 1.00 0.00 ATOM 535 C GLN 73 25.379 20.210 12.989 1.00 0.00 ATOM 536 N ALA 74 25.467 20.291 14.319 1.00 0.00 ATOM 537 CA ALA 74 24.704 21.287 15.061 1.00 0.00 ATOM 538 CB ALA 74 24.880 21.082 16.558 1.00 0.00 ATOM 539 O ALA 74 24.368 23.603 14.494 1.00 0.00 ATOM 540 C ALA 74 25.173 22.701 14.710 1.00 0.00 ATOM 541 N VAL 75 26.493 22.915 14.679 1.00 0.00 ATOM 542 CA VAL 75 27.035 24.209 14.279 1.00 0.00 ATOM 543 CB VAL 75 28.575 24.199 14.276 1.00 0.00 ATOM 544 CG1 VAL 75 29.115 25.485 13.669 1.00 0.00 ATOM 545 CG2 VAL 75 29.110 24.075 15.694 1.00 0.00 ATOM 546 O VAL 75 26.090 25.673 12.637 1.00 0.00 ATOM 547 C VAL 75 26.560 24.564 12.876 1.00 0.00 ATOM 548 N GLU 76 26.644 23.610 11.954 1.00 0.00 ATOM 549 CA GLU 76 26.218 23.853 10.567 1.00 0.00 ATOM 550 CB GLU 76 26.398 22.591 9.721 1.00 0.00 ATOM 551 CG GLU 76 27.848 22.236 9.440 1.00 0.00 ATOM 552 CD GLU 76 27.991 20.916 8.707 1.00 0.00 ATOM 553 OE1 GLU 76 26.963 20.244 8.485 1.00 0.00 ATOM 554 OE2 GLU 76 29.134 20.552 8.355 1.00 0.00 ATOM 555 O GLU 76 24.374 25.171 9.782 1.00 0.00 ATOM 556 C GLU 76 24.742 24.260 10.516 1.00 0.00 ATOM 557 N VAL 77 23.904 23.593 11.295 1.00 0.00 ATOM 558 CA VAL 77 22.486 23.893 11.298 1.00 0.00 ATOM 559 CB VAL 77 21.717 22.973 12.265 1.00 0.00 ATOM 560 CG1 VAL 77 20.275 23.431 12.402 1.00 0.00 ATOM 561 CG2 VAL 77 21.720 21.540 11.751 1.00 0.00 ATOM 562 O VAL 77 21.362 26.018 11.182 1.00 0.00 ATOM 563 C VAL 77 22.220 25.337 11.732 1.00 0.00 ATOM 564 N LEU 78 22.977 25.816 12.709 1.00 0.00 ATOM 565 CA LEU 78 22.843 27.205 13.159 1.00 0.00 ATOM 566 CB LEU 78 23.677 27.445 14.419 1.00 0.00 ATOM 567 CG LEU 78 23.194 26.748 15.693 1.00 0.00 ATOM 568 CD1 LEU 78 24.204 26.923 16.817 1.00 0.00 ATOM 569 CD2 LEU 78 21.866 27.328 16.153 1.00 0.00 ATOM 570 O LEU 78 22.738 29.267 11.946 1.00 0.00 ATOM 571 C LEU 78 23.312 28.195 12.098 1.00 0.00 ATOM 572 N ARG 79 24.367 27.839 11.378 1.00 0.00 ATOM 573 CA ARG 79 24.899 28.706 10.328 1.00 0.00 ATOM 574 CB ARG 79 26.330 28.296 9.970 1.00 0.00 ATOM 575 CG ARG 79 27.349 28.582 11.060 1.00 0.00 ATOM 576 CD ARG 79 28.742 28.142 10.643 1.00 0.00 ATOM 577 NE ARG 79 29.738 28.431 11.673 1.00 0.00 ATOM 578 CZ ARG 79 30.993 27.991 11.642 1.00 0.00 ATOM 579 NH1 ARG 79 31.828 28.305 12.623 1.00 0.00 ATOM 580 NH2 ARG 79 31.408 27.240 10.632 1.00 0.00 ATOM 581 O ARG 79 24.015 29.644 8.287 1.00 0.00 ATOM 582 C ARG 79 24.061 28.645 9.020 1.00 0.00 ATOM 583 N HIS 80 23.367 27.533 8.760 1.00 0.00 ATOM 584 CA HIS 80 22.548 27.365 7.539 1.00 0.00 ATOM 585 CB HIS 80 22.254 25.885 7.289 1.00 0.00 ATOM 586 CG HIS 80 23.462 25.083 6.918 1.00 0.00 ATOM 587 CD2 HIS 80 24.836 25.387 6.542 1.00 0.00 ATOM 588 ND1 HIS 80 23.454 23.706 6.868 1.00 0.00 ATOM 589 CE1 HIS 80 24.677 23.274 6.507 1.00 0.00 ATOM 590 NE2 HIS 80 25.509 24.277 6.311 1.00 0.00 ATOM 591 O HIS 80 20.319 27.871 6.800 1.00 0.00 ATOM 592 C HIS 80 21.202 28.092 7.634 1.00 0.00 ATOM 593 N THR 81 21.038 28.955 8.638 1.00 0.00 ATOM 594 CA THR 81 19.772 29.651 8.857 1.00 0.00 ATOM 595 CB THR 81 19.426 29.735 10.355 1.00 0.00 ATOM 596 CG2 THR 81 19.310 28.342 10.954 1.00 0.00 ATOM 597 OG1 THR 81 20.457 30.451 11.046 1.00 0.00 ATOM 598 O THR 81 20.825 31.750 8.311 1.00 0.00 ATOM 599 C THR 81 19.781 31.088 8.329 1.00 0.00 ATOM 600 N GLY 82 18.591 31.545 7.928 1.00 0.00 ATOM 601 CA GLY 82 18.350 32.885 7.366 1.00 0.00 ATOM 602 O GLY 82 18.861 33.714 9.539 1.00 0.00 ATOM 603 C GLY 82 18.270 33.927 8.487 1.00 0.00 ATOM 604 N GLN 83 17.528 35.025 8.293 1.00 0.00 ATOM 605 CA GLN 83 17.488 36.073 9.323 1.00 0.00 ATOM 606 CB GLN 83 16.909 37.367 8.748 1.00 0.00 ATOM 607 CG GLN 83 17.807 38.051 7.729 1.00 0.00 ATOM 608 CD GLN 83 17.176 39.297 7.142 1.00 0.00 ATOM 609 OE1 GLN 83 16.015 39.604 7.411 1.00 0.00 ATOM 610 NE2 GLN 83 17.942 40.022 6.334 1.00 0.00 ATOM 611 O GLN 83 17.067 35.946 11.640 1.00 0.00 ATOM 612 C GLN 83 16.637 35.717 10.539 1.00 0.00 ATOM 613 N THR 84 15.444 35.147 10.354 1.00 0.00 ATOM 614 CA THR 84 14.650 34.657 11.505 1.00 0.00 ATOM 615 CB THR 84 13.141 34.862 11.278 1.00 0.00 ATOM 616 CG2 THR 84 12.346 34.327 12.461 1.00 0.00 ATOM 617 OG1 THR 84 12.861 36.258 11.126 1.00 0.00 ATOM 618 O THR 84 14.857 32.413 10.726 1.00 0.00 ATOM 619 C THR 84 14.924 33.180 11.687 1.00 0.00 ATOM 620 N VAL 85 15.193 32.784 12.921 1.00 0.00 ATOM 621 CA VAL 85 15.620 31.444 13.236 1.00 0.00 ATOM 622 CB VAL 85 17.106 31.406 13.638 1.00 0.00 ATOM 623 CG1 VAL 85 17.525 29.987 13.991 1.00 0.00 ATOM 624 CG2 VAL 85 17.981 31.893 12.493 1.00 0.00 ATOM 625 O VAL 85 14.736 31.496 15.460 1.00 0.00 ATOM 626 C VAL 85 14.798 30.896 14.398 1.00 0.00 ATOM 627 N LEU 86 14.166 29.749 14.172 1.00 0.00 ATOM 628 CA LEU 86 13.417 29.044 15.207 1.00 0.00 ATOM 629 CB LEU 86 12.314 28.188 14.581 1.00 0.00 ATOM 630 CG LEU 86 11.452 27.378 15.552 1.00 0.00 ATOM 631 CD1 LEU 86 10.619 28.301 16.430 1.00 0.00 ATOM 632 CD2 LEU 86 10.503 26.463 14.793 1.00 0.00 ATOM 633 O LEU 86 15.064 27.304 15.394 1.00 0.00 ATOM 634 C LEU 86 14.365 28.144 15.985 1.00 0.00 ATOM 635 N LEU 87 14.366 28.304 17.307 1.00 0.00 ATOM 636 CA LEU 87 15.200 27.511 18.190 1.00 0.00 ATOM 637 CB LEU 87 16.248 28.393 18.872 1.00 0.00 ATOM 638 CG LEU 87 17.273 29.061 17.953 1.00 0.00 ATOM 639 CD1 LEU 87 18.135 30.041 18.732 1.00 0.00 ATOM 640 CD2 LEU 87 18.185 28.022 17.321 1.00 0.00 ATOM 641 O LEU 87 13.513 27.572 19.887 1.00 0.00 ATOM 642 C LEU 87 14.287 26.885 19.235 1.00 0.00 ATOM 643 N THR 88 14.370 25.580 19.396 1.00 0.00 ATOM 644 CA THR 88 13.586 24.870 20.397 1.00 0.00 ATOM 645 CB THR 88 12.771 23.725 19.766 1.00 0.00 ATOM 646 CG2 THR 88 11.777 24.273 18.753 1.00 0.00 ATOM 647 OG1 THR 88 13.656 22.815 19.101 1.00 0.00 ATOM 648 O THR 88 15.514 23.614 21.014 1.00 0.00 ATOM 649 C THR 88 14.576 24.311 21.403 1.00 0.00 ATOM 653 N ARG 91 14.843 23.284 28.933 1.00 0.00 ATOM 654 CA ARG 91 15.439 23.938 30.083 1.00 0.00 ATOM 655 CB ARG 91 14.397 24.785 30.816 1.00 0.00 ATOM 656 CG ARG 91 13.925 26.001 30.035 1.00 0.00 ATOM 657 CD ARG 91 12.825 26.742 30.778 1.00 0.00 ATOM 658 NE ARG 91 11.610 25.941 30.899 1.00 0.00 ATOM 659 CZ ARG 91 10.591 26.245 31.695 1.00 0.00 ATOM 660 NH1 ARG 91 9.525 25.457 31.739 1.00 0.00 ATOM 661 NH2 ARG 91 10.637 27.337 32.445 1.00 0.00 ATOM 662 O ARG 91 15.656 21.667 30.812 1.00 0.00 ATOM 663 C ARG 91 15.963 22.848 31.003 1.00 0.00 ATOM 664 N ARG 92 16.849 23.211 31.936 1.00 0.00 ATOM 665 CA ARG 92 17.436 22.178 32.794 1.00 0.00 ATOM 666 CB ARG 92 18.336 22.812 33.856 1.00 0.00 ATOM 667 CG ARG 92 19.594 23.459 33.298 1.00 0.00 ATOM 668 CD ARG 92 20.426 24.091 34.401 1.00 0.00 ATOM 669 NE ARG 92 21.624 24.743 33.878 1.00 0.00 ATOM 670 CZ ARG 92 22.490 25.424 34.622 1.00 0.00 ATOM 671 NH1 ARG 92 23.552 25.983 34.059 1.00 0.00 ATOM 672 NH2 ARG 92 22.290 25.545 35.927 1.00 0.00 ATOM 673 O ARG 92 15.381 21.923 33.974 1.00 0.00 ATOM 674 C ARG 92 16.374 21.374 33.510 1.00 0.00 TER END