PFRMAT TS TARGET T0492 AUTHOR 4008-1775-0004 METHOD The SAM-T08 hand predictions use methods similar to SAM_T06 in CASP7. METHOD METHOD We start with a fully automated method (implemented as the SAM-T08-server): METHOD METHOD Use the SAM-T2K, SAM-T04, and SAM-T06 methods for finding homologs METHOD of the target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. These neural nets have been newly trained METHOD for CASP8 with an improved training protocol. The neural nets for METHOD the 3 different multiple sequence alignments are independently METHOD trained, so combining them should offer improved performance. METHOD METHOD We currently use 15 local-structure alphabets: METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD STR4 an attempt at an alphabet like STR2, but not requiring DSSP. METHOD This alphabet may be trying to make some irrelevant METHOD distinctions as well. 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 PB de Brevern's protein blocks METHOD METHOD N_NOTOR METHOD N_NOTOR2 METHOD O_NOTOR METHOD O_NOTOR2 alphabets based on the torsion angle of METHOD backbone hydrogen bonds METHOD METHOD N_SEP METHOD O_SEP alphabets based on the separation of donor and METHOD acceptor for backbone hydrogen bonds METHOD 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 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 with the amino-acid track METHOD having a weight of 1 and the local structure track having a weight METHOD of 0.1 (for backbone alphabets) or 0.3 (for burial alphabets). METHOD We use these HMMs to score a template library of about METHOD 14000 (t06), 16000 (t04), or 18000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. The target HMMs are used to score consensus METHOD sequences for the templates, to get a cheap approximation of METHOD profile-profile scoring, which does not yet work in the SAM package. METHOD METHOD We also used single-track HMMs to score not just the template METHOD library, but a non-redundant copy of the entire PDB. This scoring METHOD is done with real sequences, not consensus sequences. METHOD METHOD All the target HMMs use a new calibration method the provides more METHOD accurate E-values than before, and can be used even with METHOD local-structure alphabets that used to give us trouble (such as METHOD protein blocks). METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. Later this summer, we METHOD hope to be able to use multi-track template HMMs, but we have not METHOD had time to calibrate such models while keeping the code METHOD compatible with the old libraries, so the template libraries METHOD currently use old calibrations, with somewhat optimistic E-values. 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 settings on the SAM alignment software. 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. Two different neural net METHOD methods were used, and the results submitted separately. METHOD METHOD CB-CB constraints were extracted from the alignments and a METHOD combinatorial optimization done to choose a most-believable METHOD subset. METHOD METHOD Then the "undertaker" program (named because it originally METHOD optimized burial) is used to try to combine the alignments and the METHOD fragments into a consistent 3D model. No single alignment or METHOD parent template was used as a frozen core, though in many cases METHOD one had much more influence than the others. The alignment scores METHOD were not used by undertaker, but were used only to pick the set METHOD of alignments and fragments that undertaker would see. METHOD METHOD The cost functions used by undertaker rely heavily on the METHOD alignment constraints, on helix and strand constraints generated METHOD from the secondary-structure predictions, and on the neural-net METHOD predictions of local properties that undertaker can measure. METHOD The residue-residue contact predictions are also given to METHOD undertaker, but have less weight. There are also a number of METHOD built-in cost functions (breaks, clashes, burial, ...) that are METHOD included in the cost function. METHOD METHOD The automatic script runs the undertaker-optimized model through METHOD gromacs (to fix small clashes and breaks) and repacks the METHOD sidechains using Rosetta, but these post-undertaker optimizations METHOD are not included in the server predictions. They can be used in METHOD subsequent re-optimization. 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 We often do "polishing" runs, where all the current models are read in METHOD and optimization with undertaker's genetic algorithm is done with high METHOD crossover. METHOD METHOD Some improvements in undertaker include better communication with METHOD SCWRL for initial model building form alignments (now using the METHOD standard protocol that identical residues have fixed rotamers, rather METHOD than being reoptimized by SCWRL), more cost functions based on the METHOD neural net predictions, multiple constraint sets (for easier METHOD weighting of the importance of different constraints), and some new METHOD conformation-change operators (Backrub and BigBackrub). METHOD METHOD We also created model-quality-assessment methods for CASP8, which we METHOD are applying to the server predictions. We do two optimizations from the METHOD top 10 models with two of the MQA methods, and consider these models METHOD as possible alternatives to our natively-generated models. METHOD METHOD All the SAM+undertaker and the metaserver models were very similar. METHOD It isn't clear that any of the cost functions are precise enough to METHOD distinguish among them. METHOD METHOD The first model is a metaserver model, but from our own server METHOD (SAM-T08-server), optimized with undertaker, then gromacs, then METHOD undertaker again. METHOD METHOD The second model was generated entierly with SAM and undertaker. METHOD METHOD The last three models are all metaserver models, optimized with METHOD undertaker then gromacs (and for model 3, with sidechains repacked by METHOD rosetta). METHOD METHOD model METHOD 1 T0492.try5-opt3.pdb # < MQAU4-opt3.gromacs0 < SAM-T08-server_TS1 METHOD 2 T0492.try4-opt3.pdb # < try3-opt3 < try2-opt3 < try1-opt3 < align(1fx7A) METHOD 3 T0492.MQAX4-opt3.gromacs0.repack-nonPC.pdb # < LOOPP_Server_TS1 METHOD # best Rosetta energy METHOD 4 T0492.MQAC1-opt3.gromacs0.pdb # < MULTICOM-RANK_TS3 METHOD 5 T0492.MQAX1-opt3.gromacs0.pdb # < mariner1_TS3 REMARK 6 REMARK 6 T0492 model 4 Sun Jul 13 16:23:30 2008 MODEL 4 PARENT 2gcx_A 2h3j_A 1fx7_A 1qw1_A 2dtr_A REMARK 7 REMARK 7 ALLPARENTS 2gcx_A 2h3j_A 1fx7_A 1qw1_A 2dtr_A 2qq9_A ATOM 1 N MET 1 30.422 12.812 21.488 1.00 0.00 ATOM 2 CA MET 1 31.284 12.630 20.316 1.00 0.00 ATOM 3 CB MET 1 30.623 11.483 19.539 1.00 0.00 ATOM 4 CG MET 1 31.463 10.748 18.496 1.00 0.00 ATOM 5 SD MET 1 30.379 9.565 17.622 1.00 0.00 ATOM 6 CE MET 1 30.266 10.417 16.073 1.00 0.00 ATOM 7 O MET 1 32.262 14.597 19.328 1.00 0.00 ATOM 8 C MET 1 31.276 13.882 19.438 1.00 0.00 ATOM 9 N PHE 2 30.127 14.098 18.819 1.00 0.00 ATOM 10 CA PHE 2 30.019 15.196 17.856 1.00 0.00 ATOM 11 CB PHE 2 29.625 14.704 16.457 1.00 0.00 ATOM 12 CG PHE 2 28.212 14.167 16.308 1.00 0.00 ATOM 13 CD1 PHE 2 27.218 15.019 15.838 1.00 0.00 ATOM 14 CD2 PHE 2 27.938 12.842 16.617 1.00 0.00 ATOM 15 CE1 PHE 2 25.934 14.528 15.716 1.00 0.00 ATOM 16 CE2 PHE 2 26.675 12.351 16.474 1.00 0.00 ATOM 17 CZ PHE 2 25.704 13.202 16.025 1.00 0.00 ATOM 18 O PHE 2 28.183 16.052 19.161 1.00 0.00 ATOM 19 C PHE 2 29.155 16.294 18.448 1.00 0.00 ATOM 20 N SER 3 29.825 17.447 18.479 1.00 0.00 ATOM 21 CA SER 3 29.164 18.653 18.990 1.00 0.00 ATOM 22 CB SER 3 30.046 19.902 19.017 1.00 0.00 ATOM 23 OG SER 3 30.380 20.237 17.693 1.00 0.00 ATOM 24 O SER 3 27.952 18.662 16.864 1.00 0.00 ATOM 25 C SER 3 27.975 18.938 18.074 1.00 0.00 ATOM 26 N LEU 4 26.933 19.392 18.727 1.00 0.00 ATOM 27 CA LEU 4 25.780 19.870 17.973 1.00 0.00 ATOM 28 CB LEU 4 24.705 20.387 18.899 1.00 0.00 ATOM 29 CG LEU 4 23.983 19.336 19.687 1.00 0.00 ATOM 30 CD1 LEU 4 23.154 20.144 20.647 1.00 0.00 ATOM 31 CD2 LEU 4 22.981 18.592 18.807 1.00 0.00 ATOM 32 O LEU 4 27.304 21.596 17.285 1.00 0.00 ATOM 33 C LEU 4 26.237 21.030 17.076 1.00 0.00 ATOM 34 N ARG 5 25.426 21.276 16.061 1.00 0.00 ATOM 35 CA ARG 5 25.699 22.264 14.987 1.00 0.00 ATOM 36 CB ARG 5 26.457 23.521 15.420 1.00 0.00 ATOM 37 CG ARG 5 26.078 24.736 14.562 1.00 0.00 ATOM 38 CD ARG 5 24.599 25.060 14.610 1.00 0.00 ATOM 39 NE ARG 5 24.127 24.800 15.984 1.00 0.00 ATOM 40 CZ ARG 5 22.893 24.428 16.283 1.00 0.00 ATOM 41 NH1 ARG 5 21.975 24.332 15.336 1.00 0.00 ATOM 42 NH2 ARG 5 22.556 24.106 17.522 1.00 0.00 ATOM 43 O ARG 5 26.326 21.838 12.724 1.00 0.00 ATOM 44 C ARG 5 26.569 21.638 13.907 1.00 0.00 ATOM 45 N ASP 6 27.522 20.839 14.341 1.00 0.00 ATOM 46 CA ASP 6 28.338 20.106 13.356 1.00 0.00 ATOM 47 CB ASP 6 29.534 19.441 14.009 1.00 0.00 ATOM 48 CG ASP 6 30.525 20.490 14.516 1.00 0.00 ATOM 49 OD1 ASP 6 30.337 21.703 14.237 1.00 0.00 ATOM 50 OD2 ASP 6 31.479 20.028 15.165 1.00 0.00 ATOM 51 O ASP 6 27.513 19.027 11.412 1.00 0.00 ATOM 52 C ASP 6 27.458 19.095 12.639 1.00 0.00 ATOM 53 N ALA 7 26.471 18.593 13.385 1.00 0.00 ATOM 54 CA ALA 7 25.483 17.612 12.896 1.00 0.00 ATOM 55 CB ALA 7 24.476 17.296 13.999 1.00 0.00 ATOM 56 O ALA 7 24.446 19.379 11.684 1.00 0.00 ATOM 57 C ALA 7 24.711 18.191 11.721 1.00 0.00 ATOM 58 N LYS 8 24.490 17.364 10.722 1.00 0.00 ATOM 59 CA LYS 8 23.611 17.689 9.603 1.00 0.00 ATOM 60 CB LYS 8 24.279 17.247 8.310 1.00 0.00 ATOM 61 CG LYS 8 23.393 17.456 7.073 1.00 0.00 ATOM 62 CD LYS 8 24.135 16.870 5.887 1.00 0.00 ATOM 63 CE LYS 8 23.426 17.108 4.569 1.00 0.00 ATOM 64 NZ LYS 8 24.154 16.394 3.517 1.00 0.00 ATOM 65 O LYS 8 22.347 15.853 10.532 1.00 0.00 ATOM 66 C LYS 8 22.349 16.879 9.850 1.00 0.00 ATOM 67 N CYS 9 21.253 17.408 9.329 1.00 0.00 ATOM 68 CA CYS 9 19.979 16.683 9.430 1.00 0.00 ATOM 69 CB CYS 9 18.936 17.512 8.734 1.00 0.00 ATOM 70 SG CYS 9 19.210 17.902 6.985 1.00 0.00 ATOM 71 O CYS 9 20.937 15.097 7.951 1.00 0.00 ATOM 72 C CYS 9 20.019 15.336 8.729 1.00 0.00 ATOM 73 N GLY 10 18.980 14.543 8.979 1.00 0.00 ATOM 74 CA GLY 10 18.770 13.238 8.319 1.00 0.00 ATOM 75 O GLY 10 19.307 10.917 8.621 1.00 0.00 ATOM 76 C GLY 10 19.370 12.057 9.082 1.00 0.00 ATOM 77 N GLN 11 20.003 12.349 10.207 1.00 0.00 ATOM 78 CA GLN 11 20.497 11.324 11.123 1.00 0.00 ATOM 79 CB GLN 11 22.013 11.368 11.299 1.00 0.00 ATOM 80 CG GLN 11 22.779 10.898 10.056 1.00 0.00 ATOM 81 CD GLN 11 24.273 10.743 10.398 1.00 0.00 ATOM 82 OE1 GLN 11 25.151 11.400 9.856 1.00 0.00 ATOM 83 NE2 GLN 11 24.554 9.880 11.351 1.00 0.00 ATOM 84 O GLN 11 19.369 12.620 12.816 1.00 0.00 ATOM 85 C GLN 11 19.851 11.529 12.483 1.00 0.00 ATOM 86 N THR 12 19.851 10.431 13.234 1.00 0.00 ATOM 87 CA THR 12 19.377 10.468 14.615 1.00 0.00 ATOM 88 CB THR 12 18.533 9.238 14.996 1.00 0.00 ATOM 89 CG2 THR 12 19.319 7.935 15.161 1.00 0.00 ATOM 90 OG1 THR 12 17.846 9.560 16.198 1.00 0.00 ATOM 91 O THR 12 21.637 9.936 15.227 1.00 0.00 ATOM 92 C THR 12 20.606 10.537 15.524 1.00 0.00 ATOM 93 N VAL 13 20.436 11.299 16.580 1.00 0.00 ATOM 94 CA VAL 13 21.521 11.488 17.536 1.00 0.00 ATOM 95 CB VAL 13 22.200 12.859 17.348 1.00 0.00 ATOM 96 CG1 VAL 13 22.467 13.112 15.878 1.00 0.00 ATOM 97 CG2 VAL 13 21.354 14.055 17.754 1.00 0.00 ATOM 98 O VAL 13 19.823 11.870 19.204 1.00 0.00 ATOM 99 C VAL 13 20.908 11.369 18.920 1.00 0.00 ATOM 100 N LYS 14 21.718 10.849 19.802 1.00 0.00 ATOM 101 CA LYS 14 21.299 10.870 21.193 1.00 0.00 ATOM 102 CB LYS 14 21.513 9.497 21.767 1.00 0.00 ATOM 103 CG LYS 14 20.529 8.441 21.279 1.00 0.00 ATOM 104 CD LYS 14 20.863 7.141 21.982 1.00 0.00 ATOM 105 CE LYS 14 19.979 6.010 21.517 1.00 0.00 ATOM 106 NZ LYS 14 20.453 4.752 22.092 1.00 0.00 ATOM 107 O LYS 14 23.358 11.985 21.745 1.00 0.00 ATOM 108 C LYS 14 22.144 11.926 21.894 1.00 0.00 ATOM 109 N VAL 15 21.451 12.878 22.505 1.00 0.00 ATOM 110 CA VAL 15 22.159 13.928 23.240 1.00 0.00 ATOM 111 CB VAL 15 21.256 15.027 23.782 1.00 0.00 ATOM 112 CG1 VAL 15 22.092 16.070 24.501 1.00 0.00 ATOM 113 CG2 VAL 15 20.495 15.727 22.662 1.00 0.00 ATOM 114 O VAL 15 22.327 12.841 25.371 1.00 0.00 ATOM 115 C VAL 15 22.920 13.252 24.389 1.00 0.00 ATOM 116 N VAL 16 24.241 13.300 24.259 1.00 0.00 ATOM 117 CA VAL 16 25.136 12.732 25.275 1.00 0.00 ATOM 118 CB VAL 16 26.611 12.722 24.821 1.00 0.00 ATOM 119 CG1 VAL 16 27.571 12.223 25.915 1.00 0.00 ATOM 120 CG2 VAL 16 26.767 11.784 23.637 1.00 0.00 ATOM 121 O VAL 16 24.910 12.891 27.633 1.00 0.00 ATOM 122 C VAL 16 24.979 13.510 26.577 1.00 0.00 ATOM 123 N LYS 17 25.057 14.839 26.482 1.00 0.00 ATOM 124 CA LYS 17 25.047 15.722 27.651 1.00 0.00 ATOM 125 CB LYS 17 26.104 15.278 28.685 1.00 0.00 ATOM 126 CG LYS 17 26.274 16.287 29.807 1.00 0.00 ATOM 127 CD LYS 17 26.500 15.636 31.139 1.00 0.00 ATOM 128 CE LYS 17 26.639 16.799 32.113 1.00 0.00 ATOM 129 NZ LYS 17 25.360 17.367 32.533 1.00 0.00 ATOM 130 O LYS 17 26.189 17.438 26.412 1.00 0.00 ATOM 131 C LYS 17 25.296 17.163 27.212 1.00 0.00 ATOM 132 N LEU 18 24.639 18.015 27.964 1.00 0.00 ATOM 133 CA LEU 18 24.789 19.467 27.858 1.00 0.00 ATOM 134 CB LEU 18 23.401 20.066 27.628 1.00 0.00 ATOM 135 CG LEU 18 23.336 21.579 27.898 1.00 0.00 ATOM 136 CD1 LEU 18 24.249 22.445 27.023 1.00 0.00 ATOM 137 CD2 LEU 18 21.906 22.040 27.748 1.00 0.00 ATOM 138 O LEU 18 24.892 19.677 30.265 1.00 0.00 ATOM 139 C LEU 18 25.362 20.002 29.165 1.00 0.00 ATOM 140 N HIS 19 26.254 20.952 28.987 1.00 0.00 ATOM 141 CA HIS 19 26.750 21.778 30.081 1.00 0.00 ATOM 142 CB HIS 19 28.252 21.564 30.319 1.00 0.00 ATOM 143 CG HIS 19 29.139 22.274 29.293 1.00 0.00 ATOM 144 CD2 HIS 19 29.589 21.759 28.163 1.00 0.00 ATOM 145 ND1 HIS 19 29.536 23.545 29.386 1.00 0.00 ATOM 146 CE1 HIS 19 30.237 23.801 28.281 1.00 0.00 ATOM 147 NE2 HIS 19 30.274 22.703 27.530 1.00 0.00 ATOM 148 O HIS 19 26.560 23.706 28.654 1.00 0.00 ATOM 149 C HIS 19 26.447 23.249 29.783 1.00 0.00 ATOM 150 N GLY 20 25.964 23.934 30.790 1.00 0.00 ATOM 151 CA GLY 20 25.708 25.369 30.658 1.00 0.00 ATOM 152 O GLY 20 24.872 25.411 32.921 1.00 0.00 ATOM 153 C GLY 20 24.948 25.975 31.828 1.00 0.00 ATOM 154 N THR 21 24.393 27.136 31.491 1.00 0.00 ATOM 155 CA THR 21 23.601 27.911 32.457 1.00 0.00 ATOM 156 CB THR 21 23.666 29.421 32.176 1.00 0.00 ATOM 157 CG2 THR 21 25.089 29.954 32.170 1.00 0.00 ATOM 158 OG1 THR 21 23.061 29.713 30.917 1.00 0.00 ATOM 159 O THR 21 21.639 26.730 31.623 1.00 0.00 ATOM 160 C THR 21 22.147 27.454 32.491 1.00 0.00 ATOM 161 N GLY 22 21.451 28.026 33.446 1.00 0.00 ATOM 162 CA GLY 22 20.048 27.710 33.738 1.00 0.00 ATOM 163 O GLY 22 18.092 27.419 32.442 1.00 0.00 ATOM 164 C GLY 22 19.073 28.117 32.642 1.00 0.00 ATOM 165 N ALA 23 19.322 29.232 31.947 1.00 0.00 ATOM 166 CA ALA 23 18.317 29.745 31.004 1.00 0.00 ATOM 167 CB ALA 23 18.788 31.026 30.316 1.00 0.00 ATOM 168 O ALA 23 16.809 28.248 29.915 1.00 0.00 ATOM 169 C ALA 23 17.952 28.694 29.945 1.00 0.00 ATOM 170 N LEU 24 18.977 28.170 29.288 1.00 0.00 ATOM 171 CA LEU 24 18.763 27.051 28.341 1.00 0.00 ATOM 172 CB LEU 24 19.987 26.780 27.466 1.00 0.00 ATOM 173 CG LEU 24 19.697 25.710 26.409 1.00 0.00 ATOM 174 CD1 LEU 24 18.669 26.178 25.374 1.00 0.00 ATOM 175 CD2 LEU 24 20.996 25.234 25.749 1.00 0.00 ATOM 176 O LEU 24 17.511 25.025 28.618 1.00 0.00 ATOM 177 C LEU 24 18.391 25.745 29.066 1.00 0.00 ATOM 178 N LYS 25 19.060 25.514 30.196 1.00 0.00 ATOM 179 CA LYS 25 18.914 24.259 30.956 1.00 0.00 ATOM 180 CB LYS 25 19.897 24.172 32.123 1.00 0.00 ATOM 181 CG LYS 25 21.239 23.570 31.693 1.00 0.00 ATOM 182 CD LYS 25 22.257 23.480 32.838 1.00 0.00 ATOM 183 CE LYS 25 21.811 22.451 33.873 1.00 0.00 ATOM 184 NZ LYS 25 22.809 22.129 34.911 1.00 0.00 ATOM 185 O LYS 25 16.908 23.017 31.219 1.00 0.00 ATOM 186 C LYS 25 17.501 24.051 31.489 1.00 0.00 ATOM 187 N ARG 26 16.928 25.085 32.078 1.00 0.00 ATOM 188 CA ARG 26 15.545 25.064 32.603 1.00 0.00 ATOM 189 CB ARG 26 15.195 26.349 33.355 1.00 0.00 ATOM 190 CG ARG 26 15.898 26.346 34.714 1.00 0.00 ATOM 191 CD ARG 26 15.521 27.541 35.588 1.00 0.00 ATOM 192 NE ARG 26 16.189 28.764 35.125 1.00 0.00 ATOM 193 CZ ARG 26 15.601 29.730 34.436 1.00 0.00 ATOM 194 NH1 ARG 26 14.328 29.642 34.115 1.00 0.00 ATOM 195 NH2 ARG 26 16.283 30.822 34.091 1.00 0.00 ATOM 196 O ARG 26 13.672 23.963 31.623 1.00 0.00 ATOM 197 C ARG 26 14.531 24.826 31.480 1.00 0.00 ATOM 198 N ARG 27 14.831 25.406 30.310 1.00 0.00 ATOM 199 CA ARG 27 13.999 25.185 29.110 1.00 0.00 ATOM 200 CB ARG 27 14.537 25.951 27.895 1.00 0.00 ATOM 201 CG ARG 27 13.668 25.618 26.672 1.00 0.00 ATOM 202 CD ARG 27 14.387 25.942 25.380 1.00 0.00 ATOM 203 NE ARG 27 13.510 25.608 24.245 1.00 0.00 ATOM 204 CZ ARG 27 13.847 25.790 22.975 1.00 0.00 ATOM 205 NH1 ARG 27 15.014 26.343 22.659 1.00 0.00 ATOM 206 NH2 ARG 27 13.064 25.383 21.981 1.00 0.00 ATOM 207 O ARG 27 12.941 23.064 28.606 1.00 0.00 ATOM 208 C ARG 27 13.977 23.696 28.759 1.00 0.00 ATOM 209 N ILE 28 15.168 23.156 28.559 1.00 0.00 ATOM 210 CA ILE 28 15.314 21.742 28.162 1.00 0.00 ATOM 211 CB ILE 28 16.805 21.478 27.881 1.00 0.00 ATOM 212 CG1 ILE 28 17.250 22.307 26.676 1.00 0.00 ATOM 213 CG2 ILE 28 17.029 20.004 27.555 1.00 0.00 ATOM 214 CD1 ILE 28 18.762 22.272 26.435 1.00 0.00 ATOM 215 O ILE 28 14.115 19.764 28.846 1.00 0.00 ATOM 216 C ILE 28 14.669 20.795 29.204 1.00 0.00 ATOM 217 N MET 29 14.697 21.227 30.463 1.00 0.00 ATOM 218 CA MET 29 14.085 20.485 31.583 1.00 0.00 ATOM 219 CB MET 29 14.414 21.113 32.938 1.00 0.00 ATOM 220 CG MET 29 15.905 21.167 33.256 1.00 0.00 ATOM 221 SD MET 29 16.791 19.583 32.987 1.00 0.00 ATOM 222 CE MET 29 17.759 19.929 31.532 1.00 0.00 ATOM 223 O MET 29 12.035 19.278 31.599 1.00 0.00 ATOM 224 C MET 29 12.562 20.371 31.439 1.00 0.00 ATOM 225 N ASP 30 11.901 21.461 31.069 1.00 0.00 ATOM 226 CA ASP 30 10.449 21.381 30.773 1.00 0.00 ATOM 227 CB ASP 30 9.796 22.741 30.542 1.00 0.00 ATOM 228 CG ASP 30 10.243 23.528 29.295 1.00 0.00 ATOM 229 OD1 ASP 30 10.144 23.003 28.172 1.00 0.00 ATOM 230 OD2 ASP 30 10.579 24.708 29.467 1.00 0.00 ATOM 231 O ASP 30 9.243 19.654 29.577 1.00 0.00 ATOM 232 C ASP 30 10.182 20.445 29.590 1.00 0.00 ATOM 233 N MET 31 11.104 20.389 28.642 1.00 0.00 ATOM 234 CA MET 31 10.952 19.466 27.500 1.00 0.00 ATOM 235 CB MET 31 11.891 19.873 26.362 1.00 0.00 ATOM 236 CG MET 31 11.572 21.279 25.842 1.00 0.00 ATOM 237 SD MET 31 9.877 21.474 25.189 1.00 0.00 ATOM 238 CE MET 31 10.149 20.880 23.533 1.00 0.00 ATOM 239 O MET 31 10.729 17.065 27.277 1.00 0.00 ATOM 240 C MET 31 11.178 18.001 27.931 1.00 0.00 ATOM 241 N GLY 32 11.896 17.859 29.041 1.00 0.00 ATOM 242 CA GLY 32 12.297 16.567 29.613 1.00 0.00 ATOM 243 O GLY 32 13.578 14.706 28.843 1.00 0.00 ATOM 244 C GLY 32 13.417 15.927 28.822 1.00 0.00 ATOM 245 N ILE 33 14.237 16.786 28.217 1.00 0.00 ATOM 246 CA ILE 33 15.393 16.322 27.451 1.00 0.00 ATOM 247 CB ILE 33 15.617 17.132 26.175 1.00 0.00 ATOM 248 CG1 ILE 33 14.341 17.089 25.332 1.00 0.00 ATOM 249 CG2 ILE 33 16.800 16.574 25.377 1.00 0.00 ATOM 250 CD1 ILE 33 14.351 18.189 24.289 1.00 0.00 ATOM 251 O ILE 33 17.255 17.391 28.599 1.00 0.00 ATOM 252 C ILE 33 16.613 16.382 28.365 1.00 0.00 ATOM 253 N THR 34 16.961 15.209 28.823 1.00 0.00 ATOM 254 CA THR 34 18.166 15.050 29.649 1.00 0.00 ATOM 255 CB THR 34 17.811 14.250 30.899 1.00 0.00 ATOM 256 CG2 THR 34 16.722 14.955 31.693 1.00 0.00 ATOM 257 OG1 THR 34 17.385 12.940 30.502 1.00 0.00 ATOM 258 O THR 34 18.825 13.704 27.760 1.00 0.00 ATOM 259 C THR 34 19.160 14.261 28.818 1.00 0.00 ATOM 260 N ARG 35 20.385 14.188 29.307 1.00 0.00 ATOM 261 CA ARG 35 21.410 13.358 28.641 1.00 0.00 ATOM 262 CB ARG 35 22.713 13.342 29.439 1.00 0.00 ATOM 263 CG ARG 35 22.651 12.614 30.773 1.00 0.00 ATOM 264 CD ARG 35 24.032 12.512 31.423 1.00 0.00 ATOM 265 NE ARG 35 24.915 11.550 30.743 1.00 0.00 ATOM 266 CZ ARG 35 26.144 11.236 31.175 1.00 0.00 ATOM 267 NH1 ARG 35 26.656 11.790 32.275 1.00 0.00 ATOM 268 NH2 ARG 35 26.891 10.324 30.560 1.00 0.00 ATOM 269 O ARG 35 20.091 11.489 29.311 1.00 0.00 ATOM 270 C ARG 35 20.869 11.930 28.476 1.00 0.00 ATOM 271 N GLY 36 21.157 11.358 27.317 1.00 0.00 ATOM 272 CA GLY 36 20.680 10.013 26.941 1.00 0.00 ATOM 273 O GLY 36 19.005 9.044 25.519 1.00 0.00 ATOM 274 C GLY 36 19.445 10.070 26.044 1.00 0.00 ATOM 275 N CYS 37 18.790 11.232 26.037 1.00 0.00 ATOM 276 CA CYS 37 17.665 11.479 25.126 1.00 0.00 ATOM 277 CB CYS 37 17.208 12.930 25.204 1.00 0.00 ATOM 278 SG CYS 37 15.702 13.127 24.206 1.00 0.00 ATOM 279 O CYS 37 19.279 11.412 23.360 1.00 0.00 ATOM 280 C CYS 37 18.123 11.203 23.695 1.00 0.00 ATOM 281 N GLU 38 17.168 10.756 22.895 1.00 0.00 ATOM 282 CA GLU 38 17.406 10.533 21.479 1.00 0.00 ATOM 283 CB GLU 38 17.040 9.116 21.068 1.00 0.00 ATOM 284 CG GLU 38 17.346 8.863 19.578 1.00 0.00 ATOM 285 CD GLU 38 16.829 7.489 19.149 1.00 0.00 ATOM 286 OE1 GLU 38 16.056 6.897 19.944 1.00 0.00 ATOM 287 OE2 GLU 38 17.286 7.015 18.097 1.00 0.00 ATOM 288 O GLU 38 15.289 11.593 20.907 1.00 0.00 ATOM 289 C GLU 38 16.507 11.470 20.717 1.00 0.00 ATOM 290 N ILE 39 17.214 12.166 19.878 1.00 0.00 ATOM 291 CA ILE 39 16.620 13.228 19.075 1.00 0.00 ATOM 292 CB ILE 39 17.050 14.605 19.614 1.00 0.00 ATOM 293 CG1 ILE 39 18.568 14.721 19.561 1.00 0.00 ATOM 294 CG2 ILE 39 16.624 14.760 21.071 1.00 0.00 ATOM 295 CD1 ILE 39 19.111 16.138 19.686 1.00 0.00 ATOM 296 O ILE 39 18.130 12.709 17.268 1.00 0.00 ATOM 297 C ILE 39 17.000 13.030 17.628 1.00 0.00 ATOM 298 N TYR 40 16.042 13.373 16.794 1.00 0.00 ATOM 299 CA TYR 40 16.329 13.481 15.364 1.00 0.00 ATOM 300 CB TYR 40 15.139 13.135 14.498 1.00 0.00 ATOM 301 CG TYR 40 14.828 11.650 14.603 1.00 0.00 ATOM 302 CD1 TYR 40 14.060 11.159 15.651 1.00 0.00 ATOM 303 CD2 TYR 40 15.325 10.802 13.632 1.00 0.00 ATOM 304 CE1 TYR 40 13.801 9.804 15.740 1.00 0.00 ATOM 305 CE2 TYR 40 15.066 9.451 13.707 1.00 0.00 ATOM 306 CZ TYR 40 14.312 8.953 14.769 1.00 0.00 ATOM 307 OH TYR 40 14.077 7.624 14.894 1.00 0.00 ATOM 308 O TYR 40 16.086 15.860 15.561 1.00 0.00 ATOM 309 C TYR 40 16.702 14.920 15.056 1.00 0.00 ATOM 310 N ILE 41 17.572 15.028 14.065 1.00 0.00 ATOM 311 CA ILE 41 18.015 16.362 13.641 1.00 0.00 ATOM 312 CB ILE 41 19.522 16.410 13.452 1.00 0.00 ATOM 313 CG1 ILE 41 20.317 15.890 14.664 1.00 0.00 ATOM 314 CG2 ILE 41 19.922 17.829 13.072 1.00 0.00 ATOM 315 CD1 ILE 41 20.026 16.589 15.989 1.00 0.00 ATOM 316 O ILE 41 17.491 15.979 11.326 1.00 0.00 ATOM 317 C ILE 41 17.309 16.673 12.327 1.00 0.00 ATOM 318 N ARG 42 16.489 17.708 12.397 1.00 0.00 ATOM 319 CA ARG 42 15.751 18.154 11.208 1.00 0.00 ATOM 320 CB ARG 42 14.557 19.000 11.579 1.00 0.00 ATOM 321 CG ARG 42 13.445 18.128 12.116 1.00 0.00 ATOM 322 CD ARG 42 12.256 19.008 12.437 1.00 0.00 ATOM 323 NE ARG 42 11.238 18.078 12.936 1.00 0.00 ATOM 324 CZ ARG 42 10.143 18.399 13.619 1.00 0.00 ATOM 325 NH1 ARG 42 9.795 19.654 13.849 1.00 0.00 ATOM 326 NH2 ARG 42 9.326 17.476 14.061 1.00 0.00 ATOM 327 O ARG 42 16.421 18.708 9.027 1.00 0.00 ATOM 328 C ARG 42 16.591 18.933 10.208 1.00 0.00 ATOM 329 N LYS 43 17.449 19.829 10.697 1.00 0.00 ATOM 330 CA LYS 43 18.323 20.647 9.839 1.00 0.00 ATOM 331 CB LYS 43 17.512 21.662 9.024 1.00 0.00 ATOM 332 CG LYS 43 18.366 22.463 8.051 1.00 0.00 ATOM 333 CD LYS 43 17.524 23.523 7.373 1.00 0.00 ATOM 334 CE LYS 43 18.345 24.049 6.224 1.00 0.00 ATOM 335 NZ LYS 43 17.676 25.251 5.767 1.00 0.00 ATOM 336 O LYS 43 18.988 22.060 11.684 1.00 0.00 ATOM 337 C LYS 43 19.324 21.434 10.678 1.00 0.00 ATOM 338 N VAL 44 20.510 21.465 10.105 1.00 0.00 ATOM 339 CA VAL 44 21.604 22.265 10.648 1.00 0.00 ATOM 340 CB VAL 44 22.581 21.380 11.417 1.00 0.00 ATOM 341 CG1 VAL 44 23.524 22.224 12.257 1.00 0.00 ATOM 342 CG2 VAL 44 21.879 20.431 12.363 1.00 0.00 ATOM 343 O VAL 44 22.474 22.397 8.381 1.00 0.00 ATOM 344 C VAL 44 22.364 22.903 9.499 1.00 0.00 ATOM 345 N ALA 45 22.992 23.996 9.874 1.00 0.00 ATOM 346 CA ALA 45 23.980 24.598 8.994 1.00 0.00 ATOM 347 CB ALA 45 23.613 26.029 8.744 1.00 0.00 ATOM 348 O ALA 45 25.587 24.856 10.743 1.00 0.00 ATOM 349 C ALA 45 25.391 24.516 9.576 1.00 0.00 ATOM 350 N PRO 46 26.345 24.250 8.666 1.00 0.00 ATOM 351 CA PRO 46 27.780 24.215 9.011 1.00 0.00 ATOM 352 CB PRO 46 28.459 23.726 7.727 1.00 0.00 ATOM 353 CG PRO 46 27.530 24.180 6.608 1.00 0.00 ATOM 354 CD PRO 46 26.144 23.997 7.221 1.00 0.00 ATOM 355 O PRO 46 29.186 25.604 10.357 1.00 0.00 ATOM 356 C PRO 46 28.318 25.571 9.486 1.00 0.00 ATOM 357 N LEU 47 27.810 26.659 8.903 1.00 0.00 ATOM 358 CA LEU 47 28.221 28.033 9.273 1.00 0.00 ATOM 359 CB LEU 47 27.975 29.060 8.152 1.00 0.00 ATOM 360 CG LEU 47 28.592 28.700 6.800 1.00 0.00 ATOM 361 CD1 LEU 47 28.219 29.775 5.781 1.00 0.00 ATOM 362 CD2 LEU 47 30.106 28.572 6.901 1.00 0.00 ATOM 363 O LEU 47 28.037 29.482 11.159 1.00 0.00 ATOM 364 C LEU 47 27.547 28.545 10.548 1.00 0.00 ATOM 365 N GLY 48 26.457 27.896 10.947 1.00 0.00 ATOM 366 CA GLY 48 25.729 28.255 12.167 1.00 0.00 ATOM 367 O GLY 48 23.976 29.699 11.412 1.00 0.00 ATOM 368 C GLY 48 24.290 28.606 11.841 1.00 0.00 ATOM 369 N ASP 49 23.411 27.707 12.252 1.00 0.00 ATOM 370 CA ASP 49 21.967 27.931 12.083 1.00 0.00 ATOM 371 CB ASP 49 21.473 27.432 10.726 1.00 0.00 ATOM 372 CG ASP 49 21.632 28.522 9.657 1.00 0.00 ATOM 373 OD1 ASP 49 21.665 29.716 10.024 1.00 0.00 ATOM 374 OD2 ASP 49 21.660 28.153 8.466 1.00 0.00 ATOM 375 O ASP 49 21.783 26.640 14.041 1.00 0.00 ATOM 376 C ASP 49 21.169 27.321 13.209 1.00 0.00 ATOM 377 N PRO 50 19.900 27.698 13.373 1.00 0.00 ATOM 378 CA PRO 50 19.024 27.021 14.342 1.00 0.00 ATOM 379 CB PRO 50 17.703 27.770 14.248 1.00 0.00 ATOM 380 CG PRO 50 17.680 28.287 12.828 1.00 0.00 ATOM 381 CD PRO 50 19.127 28.725 12.634 1.00 0.00 ATOM 382 O PRO 50 19.054 25.173 12.781 1.00 0.00 ATOM 383 C PRO 50 18.860 25.564 13.927 1.00 0.00 ATOM 384 N ILE 51 18.722 24.754 14.968 1.00 0.00 ATOM 385 CA ILE 51 18.511 23.314 14.770 1.00 0.00 ATOM 386 CB ILE 51 19.683 22.508 15.340 1.00 0.00 ATOM 387 CG1 ILE 51 19.596 21.044 14.916 1.00 0.00 ATOM 388 CG2 ILE 51 19.780 22.638 16.862 1.00 0.00 ATOM 389 CD1 ILE 51 20.777 20.223 15.452 1.00 0.00 ATOM 390 O ILE 51 16.933 23.302 16.595 1.00 0.00 ATOM 391 C ILE 51 17.205 22.931 15.454 1.00 0.00 ATOM 392 N GLN 52 16.513 22.057 14.766 1.00 0.00 ATOM 393 CA GLN 52 15.243 21.616 15.317 1.00 0.00 ATOM 394 CB GLN 52 14.158 22.101 14.352 1.00 0.00 ATOM 395 CG GLN 52 14.386 23.487 13.701 1.00 0.00 ATOM 396 CD GLN 52 14.574 24.681 14.638 1.00 0.00 ATOM 397 OE1 GLN 52 15.584 25.353 14.824 1.00 0.00 ATOM 398 NE2 GLN 52 13.536 24.924 15.358 1.00 0.00 ATOM 399 O GLN 52 15.704 19.350 14.615 1.00 0.00 ATOM 400 C GLN 52 15.355 20.100 15.529 1.00 0.00 ATOM 401 N ILE 53 15.409 19.753 16.805 1.00 0.00 ATOM 402 CA ILE 53 15.637 18.360 17.241 1.00 0.00 ATOM 403 CB ILE 53 16.782 18.262 18.259 1.00 0.00 ATOM 404 CG1 ILE 53 16.502 19.041 19.554 1.00 0.00 ATOM 405 CG2 ILE 53 18.062 18.773 17.595 1.00 0.00 ATOM 406 CD1 ILE 53 17.528 18.933 20.680 1.00 0.00 ATOM 407 O ILE 53 13.652 18.414 18.616 1.00 0.00 ATOM 408 C ILE 53 14.345 17.796 17.795 1.00 0.00 ATOM 409 N ASN 54 13.991 16.650 17.238 1.00 0.00 ATOM 410 CA ASN 54 12.747 15.992 17.657 1.00 0.00 ATOM 411 CB ASN 54 12.141 15.246 16.490 1.00 0.00 ATOM 412 CG ASN 54 10.712 14.836 16.837 1.00 0.00 ATOM 413 ND2 ASN 54 10.507 13.563 17.007 1.00 0.00 ATOM 414 OD1 ASN 54 9.800 15.633 16.923 1.00 0.00 ATOM 415 O ASN 54 13.821 14.100 18.666 1.00 0.00 ATOM 416 C ASN 54 13.040 15.034 18.796 1.00 0.00 ATOM 417 N VAL 55 12.193 15.175 19.789 1.00 0.00 ATOM 418 CA VAL 55 12.230 14.322 20.979 1.00 0.00 ATOM 419 CB VAL 55 12.526 15.187 22.201 1.00 0.00 ATOM 420 CG1 VAL 55 12.833 14.305 23.398 1.00 0.00 ATOM 421 CG2 VAL 55 13.765 16.029 21.934 1.00 0.00 ATOM 422 O VAL 55 9.908 14.185 20.414 1.00 0.00 ATOM 423 C VAL 55 10.829 13.735 21.088 1.00 0.00 ATOM 424 N ARG 56 10.691 12.732 21.931 1.00 0.00 ATOM 425 CA ARG 56 9.397 12.063 22.083 1.00 0.00 ATOM 426 CB ARG 56 9.625 10.801 22.906 1.00 0.00 ATOM 427 CG ARG 56 10.088 11.055 24.336 1.00 0.00 ATOM 428 CD ARG 56 10.460 9.682 24.879 1.00 0.00 ATOM 429 NE ARG 56 10.424 9.670 26.341 1.00 0.00 ATOM 430 CZ ARG 56 11.195 10.306 27.207 1.00 0.00 ATOM 431 NH1 ARG 56 12.206 11.076 26.833 1.00 0.00 ATOM 432 NH2 ARG 56 10.944 10.174 28.490 1.00 0.00 ATOM 433 O ARG 56 8.064 13.483 23.547 1.00 0.00 ATOM 434 C ARG 56 8.207 12.990 22.432 1.00 0.00 ATOM 435 N GLY 57 7.468 13.304 21.376 1.00 0.00 ATOM 436 CA GLY 57 6.325 14.239 21.332 1.00 0.00 ATOM 437 O GLY 57 5.767 16.531 21.792 1.00 0.00 ATOM 438 C GLY 57 6.659 15.730 21.536 1.00 0.00 ATOM 439 N TYR 58 7.938 16.063 21.498 1.00 0.00 ATOM 440 CA TYR 58 8.382 17.462 21.626 1.00 0.00 ATOM 441 CB TYR 58 8.957 17.706 23.023 1.00 0.00 ATOM 442 CG TYR 58 7.898 17.655 24.141 1.00 0.00 ATOM 443 CD1 TYR 58 7.601 16.437 24.706 1.00 0.00 ATOM 444 CD2 TYR 58 7.274 18.779 24.644 1.00 0.00 ATOM 445 CE1 TYR 58 6.723 16.302 25.770 1.00 0.00 ATOM 446 CE2 TYR 58 6.373 18.672 25.701 1.00 0.00 ATOM 447 CZ TYR 58 6.085 17.432 26.261 1.00 0.00 ATOM 448 OH TYR 58 5.165 17.324 27.259 1.00 0.00 ATOM 449 O TYR 58 10.215 16.959 20.122 1.00 0.00 ATOM 450 C TYR 58 9.407 17.790 20.540 1.00 0.00 ATOM 451 N GLU 59 9.404 19.049 20.147 1.00 0.00 ATOM 452 CA GLU 59 10.377 19.582 19.183 1.00 0.00 ATOM 453 CB GLU 59 9.812 20.201 17.901 1.00 0.00 ATOM 454 CG GLU 59 8.855 19.275 17.141 1.00 0.00 ATOM 455 CD GLU 59 7.427 19.531 17.631 1.00 0.00 ATOM 456 OE1 GLU 59 7.008 18.930 18.635 1.00 0.00 ATOM 457 OE2 GLU 59 6.789 20.373 16.974 1.00 0.00 ATOM 458 O GLU 59 10.518 21.675 20.349 1.00 0.00 ATOM 459 C GLU 59 11.111 20.679 19.917 1.00 0.00 ATOM 460 N LEU 60 12.389 20.431 20.095 1.00 0.00 ATOM 461 CA LEU 60 13.245 21.418 20.762 1.00 0.00 ATOM 462 CB LEU 60 14.150 20.712 21.770 1.00 0.00 ATOM 463 CG LEU 60 15.091 21.663 22.530 1.00 0.00 ATOM 464 CD1 LEU 60 14.328 22.516 23.539 1.00 0.00 ATOM 465 CD2 LEU 60 16.163 20.876 23.281 1.00 0.00 ATOM 466 O LEU 60 14.660 21.457 18.798 1.00 0.00 ATOM 467 C LEU 60 14.075 22.084 19.680 1.00 0.00 ATOM 468 N SER 61 14.149 23.395 19.814 1.00 0.00 ATOM 469 CA SER 61 15.058 24.153 18.947 1.00 0.00 ATOM 470 CB SER 61 14.331 25.377 18.423 1.00 0.00 ATOM 471 OG SER 61 13.982 26.309 19.452 1.00 0.00 ATOM 472 O SER 61 16.247 24.728 20.945 1.00 0.00 ATOM 473 C SER 61 16.319 24.511 19.744 1.00 0.00 ATOM 474 N LEU 62 17.454 24.349 19.104 1.00 0.00 ATOM 475 CA LEU 62 18.733 24.774 19.713 1.00 0.00 ATOM 476 CB LEU 62 19.714 23.645 19.998 1.00 0.00 ATOM 477 CG LEU 62 19.151 22.601 20.963 1.00 0.00 ATOM 478 CD1 LEU 62 20.142 21.459 21.011 1.00 0.00 ATOM 479 CD2 LEU 62 18.956 23.192 22.361 1.00 0.00 ATOM 480 O LEU 62 19.341 25.884 17.667 1.00 0.00 ATOM 481 C LEU 62 19.434 25.839 18.893 1.00 0.00 ATOM 482 N ARG 63 20.199 26.646 19.607 1.00 0.00 ATOM 483 CA ARG 63 20.959 27.722 18.965 1.00 0.00 ATOM 484 CB ARG 63 21.140 28.915 19.910 1.00 0.00 ATOM 485 CG ARG 63 19.910 29.373 20.689 1.00 0.00 ATOM 486 CD ARG 63 18.826 29.994 19.812 1.00 0.00 ATOM 487 NE ARG 63 17.706 30.369 20.678 1.00 0.00 ATOM 488 CZ ARG 63 17.250 31.603 20.888 1.00 0.00 ATOM 489 NH1 ARG 63 17.738 32.721 20.391 1.00 0.00 ATOM 490 NH2 ARG 63 16.251 31.734 21.710 1.00 0.00 ATOM 491 O ARG 63 22.834 26.255 19.340 1.00 0.00 ATOM 492 C ARG 63 22.356 27.156 18.669 1.00 0.00 ATOM 493 N LYS 64 22.974 27.766 17.675 1.00 0.00 ATOM 494 CA LYS 64 24.364 27.515 17.244 1.00 0.00 ATOM 495 CB LYS 64 24.816 28.680 16.371 1.00 0.00 ATOM 496 CG LYS 64 23.778 29.440 15.569 1.00 0.00 ATOM 497 CD LYS 64 24.413 30.719 15.048 1.00 0.00 ATOM 498 CE LYS 64 23.390 31.465 14.205 1.00 0.00 ATOM 499 NZ LYS 64 24.027 32.610 13.546 1.00 0.00 ATOM 500 O LYS 64 25.930 26.457 18.727 1.00 0.00 ATOM 501 C LYS 64 25.311 27.481 18.449 1.00 0.00 ATOM 502 N SER 65 25.177 28.524 19.258 1.00 0.00 ATOM 503 CA SER 65 26.030 28.710 20.449 1.00 0.00 ATOM 504 CB SER 65 25.862 30.079 21.112 1.00 0.00 ATOM 505 OG SER 65 24.586 30.169 21.755 1.00 0.00 ATOM 506 O SER 65 26.647 27.102 22.107 1.00 0.00 ATOM 507 C SER 65 25.736 27.666 21.515 1.00 0.00 ATOM 508 N ALA 66 24.451 27.359 21.699 1.00 0.00 ATOM 509 CA ALA 66 23.997 26.367 22.685 1.00 0.00 ATOM 510 CB ALA 66 22.477 26.281 22.710 1.00 0.00 ATOM 511 O ALA 66 24.941 24.215 23.237 1.00 0.00 ATOM 512 C ALA 66 24.554 24.982 22.346 1.00 0.00 ATOM 513 N ALA 67 24.599 24.711 21.050 1.00 0.00 ATOM 514 CA ALA 67 25.138 23.464 20.491 1.00 0.00 ATOM 515 CB ALA 67 25.240 23.641 18.986 1.00 0.00 ATOM 516 O ALA 67 26.848 21.990 21.246 1.00 0.00 ATOM 517 C ALA 67 26.540 23.148 21.003 1.00 0.00 ATOM 518 N GLU 68 27.323 24.205 21.205 1.00 0.00 ATOM 519 CA GLU 68 28.705 24.089 21.705 1.00 0.00 ATOM 520 CB GLU 68 29.303 25.492 21.826 1.00 0.00 ATOM 521 CG GLU 68 30.704 25.475 22.455 1.00 0.00 ATOM 522 CD GLU 68 31.429 26.829 22.365 1.00 0.00 ATOM 523 OE1 GLU 68 30.773 27.865 22.588 1.00 0.00 ATOM 524 OE2 GLU 68 32.662 26.805 22.150 1.00 0.00 ATOM 525 O GLU 68 29.445 22.406 23.285 1.00 0.00 ATOM 526 C GLU 68 28.742 23.372 23.064 1.00 0.00 ATOM 527 N MET 69 27.771 23.711 23.876 1.00 0.00 ATOM 528 CA MET 69 27.652 23.283 25.262 1.00 0.00 ATOM 529 CB MET 69 26.842 24.449 25.865 1.00 0.00 ATOM 530 CG MET 69 27.175 25.871 25.340 1.00 0.00 ATOM 531 SD MET 69 26.063 27.248 25.803 1.00 0.00 ATOM 532 CE MET 69 26.782 27.619 27.381 1.00 0.00 ATOM 533 O MET 69 27.312 21.128 26.336 1.00 0.00 ATOM 534 C MET 69 27.101 21.833 25.348 1.00 0.00 ATOM 535 N ILE 70 26.434 21.352 24.283 1.00 0.00 ATOM 536 CA ILE 70 25.850 19.994 24.218 1.00 0.00 ATOM 537 CB ILE 70 24.427 20.001 23.608 1.00 0.00 ATOM 538 CG1 ILE 70 23.447 20.911 24.333 1.00 0.00 ATOM 539 CG2 ILE 70 23.879 18.575 23.561 1.00 0.00 ATOM 540 CD1 ILE 70 21.943 20.986 24.020 1.00 0.00 ATOM 541 O ILE 70 26.975 19.365 22.155 1.00 0.00 ATOM 542 C ILE 70 26.758 19.100 23.344 1.00 0.00 ATOM 543 N GLU 71 26.951 17.901 23.847 1.00 0.00 ATOM 544 CA GLU 71 27.654 16.843 23.105 1.00 0.00 ATOM 545 CB GLU 71 28.786 16.283 23.947 1.00 0.00 ATOM 546 CG GLU 71 29.746 15.519 23.056 1.00 0.00 ATOM 547 CD GLU 71 31.051 15.280 23.808 1.00 0.00 ATOM 548 OE1 GLU 71 31.900 16.197 23.754 1.00 0.00 ATOM 549 OE2 GLU 71 31.200 14.149 24.301 1.00 0.00 ATOM 550 O GLU 71 25.823 15.420 23.677 1.00 0.00 ATOM 551 C GLU 71 26.638 15.751 22.820 1.00 0.00 ATOM 552 N VAL 72 26.613 15.328 21.563 1.00 0.00 ATOM 553 CA VAL 72 25.686 14.296 21.089 1.00 0.00 ATOM 554 CB VAL 72 24.568 14.891 20.220 1.00 0.00 ATOM 555 CG1 VAL 72 23.739 15.892 21.020 1.00 0.00 ATOM 556 CG2 VAL 72 25.078 15.580 18.962 1.00 0.00 ATOM 557 O VAL 72 27.676 13.314 20.144 1.00 0.00 ATOM 558 C VAL 72 26.472 13.171 20.395 1.00 0.00 ATOM 559 N GLU 73 25.842 12.005 20.374 1.00 0.00 ATOM 560 CA GLU 73 26.393 10.791 19.759 1.00 0.00 ATOM 561 CB GLU 73 26.514 9.714 20.830 1.00 0.00 ATOM 562 CG GLU 73 27.179 8.432 20.321 1.00 0.00 ATOM 563 CD GLU 73 26.921 7.196 21.196 1.00 0.00 ATOM 564 OE1 GLU 73 26.122 7.272 22.149 1.00 0.00 ATOM 565 OE2 GLU 73 27.599 6.173 20.940 1.00 0.00 ATOM 566 O GLU 73 24.343 10.875 18.550 1.00 0.00 ATOM 567 C GLU 73 25.443 10.296 18.661 1.00 0.00 TER END