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 1 Sun Jul 13 16:23:30 2008 MODEL 1 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 30.093 12.402 21.181 1.00 0.00 ATOM 2 CA MET 1 30.985 11.889 20.102 1.00 0.00 ATOM 3 CB MET 1 30.343 10.672 19.427 1.00 0.00 ATOM 4 CG MET 1 31.143 10.105 18.258 1.00 0.00 ATOM 5 SD MET 1 30.341 8.673 17.471 1.00 0.00 ATOM 6 CE MET 1 28.976 9.466 16.622 1.00 0.00 ATOM 7 O MET 1 32.388 13.081 18.562 1.00 0.00 ATOM 8 C MET 1 31.266 12.957 19.052 1.00 0.00 ATOM 9 N PHE 2 30.254 13.744 18.731 1.00 0.00 ATOM 10 CA PHE 2 30.427 14.787 17.721 1.00 0.00 ATOM 11 CB PHE 2 29.865 14.377 16.354 1.00 0.00 ATOM 12 CG PHE 2 28.357 14.151 16.315 1.00 0.00 ATOM 13 CD1 PHE 2 27.536 15.212 15.973 1.00 0.00 ATOM 14 CD2 PHE 2 27.825 12.889 16.540 1.00 0.00 ATOM 15 CE1 PHE 2 26.172 15.011 15.867 1.00 0.00 ATOM 16 CE2 PHE 2 26.460 12.699 16.423 1.00 0.00 ATOM 17 CZ PHE 2 25.639 13.759 16.082 1.00 0.00 ATOM 18 O PHE 2 28.894 16.029 19.042 1.00 0.00 ATOM 19 C PHE 2 29.775 16.082 18.180 1.00 0.00 ATOM 20 N SER 3 30.329 17.200 17.698 1.00 0.00 ATOM 21 CA SER 3 29.823 18.560 17.970 1.00 0.00 ATOM 22 CB SER 3 30.719 19.657 17.394 1.00 0.00 ATOM 23 OG SER 3 30.228 20.937 17.787 1.00 0.00 ATOM 24 O SER 3 28.137 18.235 16.303 1.00 0.00 ATOM 25 C SER 3 28.435 18.751 17.379 1.00 0.00 ATOM 26 N LEU 4 27.563 19.476 18.091 1.00 0.00 ATOM 27 CA LEU 4 26.222 19.718 17.582 1.00 0.00 ATOM 28 CB LEU 4 25.380 20.317 18.713 1.00 0.00 ATOM 29 CG LEU 4 23.892 20.516 18.407 1.00 0.00 ATOM 30 CD1 LEU 4 23.270 19.231 17.912 1.00 0.00 ATOM 31 CD2 LEU 4 23.093 20.964 19.619 1.00 0.00 ATOM 32 O LEU 4 25.509 20.280 15.345 1.00 0.00 ATOM 33 C LEU 4 26.244 20.560 16.293 1.00 0.00 ATOM 34 N ARG 5 27.259 21.405 16.158 1.00 0.00 ATOM 35 CA ARG 5 27.459 22.182 14.913 1.00 0.00 ATOM 36 CB ARG 5 28.678 23.312 15.547 1.00 0.00 ATOM 37 CG ARG 5 28.857 23.460 17.038 1.00 0.00 ATOM 38 CD ARG 5 30.094 24.297 17.342 1.00 0.00 ATOM 39 NE ARG 5 31.323 23.652 16.884 1.00 0.00 ATOM 40 CZ ARG 5 32.546 24.112 17.129 1.00 0.00 ATOM 41 NH1 ARG 5 32.712 25.226 17.831 1.00 0.00 ATOM 42 NH2 ARG 5 33.607 23.450 16.684 1.00 0.00 ATOM 43 O ARG 5 27.677 21.734 12.560 1.00 0.00 ATOM 44 C ARG 5 27.828 21.302 13.705 1.00 0.00 ATOM 45 N ASP 6 28.320 20.088 13.953 1.00 0.00 ATOM 46 CA ASP 6 28.636 19.142 12.877 1.00 0.00 ATOM 47 CB ASP 6 29.914 18.332 13.104 1.00 0.00 ATOM 48 CG ASP 6 31.130 19.237 13.123 1.00 0.00 ATOM 49 OD1 ASP 6 31.328 19.952 12.116 1.00 0.00 ATOM 50 OD2 ASP 6 31.820 19.215 14.169 1.00 0.00 ATOM 51 O ASP 6 27.628 17.295 11.760 1.00 0.00 ATOM 52 C ASP 6 27.507 18.155 12.627 1.00 0.00 ATOM 53 N ALA 7 26.379 18.250 13.395 1.00 0.00 ATOM 54 CA ALA 7 25.264 17.338 13.206 1.00 0.00 ATOM 55 CB ALA 7 24.342 17.368 14.398 1.00 0.00 ATOM 56 O ALA 7 24.443 18.838 11.468 1.00 0.00 ATOM 57 C ALA 7 24.526 17.681 11.908 1.00 0.00 ATOM 58 N LYS 8 23.964 16.645 11.324 1.00 0.00 ATOM 59 CA LYS 8 23.189 16.798 10.081 1.00 0.00 ATOM 60 CB LYS 8 23.342 15.520 9.273 1.00 0.00 ATOM 61 CG LYS 8 23.863 15.854 7.884 1.00 0.00 ATOM 62 CD LYS 8 22.830 16.471 6.959 1.00 0.00 ATOM 63 CE LYS 8 21.637 15.544 6.773 1.00 0.00 ATOM 64 NZ LYS 8 21.134 15.560 5.394 1.00 0.00 ATOM 65 O LYS 8 21.171 16.630 11.369 1.00 0.00 ATOM 66 C LYS 8 21.724 17.102 10.374 1.00 0.00 ATOM 67 N CYS 9 21.095 17.888 9.506 1.00 0.00 ATOM 68 CA CYS 9 19.696 18.239 9.686 1.00 0.00 ATOM 69 CB CYS 9 19.284 19.288 8.661 1.00 0.00 ATOM 70 SG CYS 9 17.528 19.798 8.839 1.00 0.00 ATOM 71 O CYS 9 18.991 16.210 8.575 1.00 0.00 ATOM 72 C CYS 9 18.851 16.944 9.554 1.00 0.00 ATOM 73 N GLY 10 17.991 16.683 10.534 1.00 0.00 ATOM 74 CA GLY 10 17.150 15.493 10.503 1.00 0.00 ATOM 75 O GLY 10 17.533 13.126 10.344 1.00 0.00 ATOM 76 C GLY 10 17.946 14.205 10.762 1.00 0.00 ATOM 77 N GLN 11 19.044 14.310 11.503 1.00 0.00 ATOM 78 CA GLN 11 19.823 13.139 11.924 1.00 0.00 ATOM 79 CB GLN 11 21.299 13.531 11.984 1.00 0.00 ATOM 80 CG GLN 11 22.188 12.373 12.423 1.00 0.00 ATOM 81 CD GLN 11 23.663 12.764 12.434 1.00 0.00 ATOM 82 OE1 GLN 11 24.104 13.759 11.879 1.00 0.00 ATOM 83 NE2 GLN 11 24.438 11.937 13.056 1.00 0.00 ATOM 84 O GLN 11 19.195 13.514 14.217 1.00 0.00 ATOM 85 C GLN 11 19.421 12.686 13.334 1.00 0.00 ATOM 86 N THR 12 19.336 11.375 13.537 1.00 0.00 ATOM 87 CA THR 12 18.962 10.835 14.839 1.00 0.00 ATOM 88 CB THR 12 18.397 9.415 14.673 1.00 0.00 ATOM 89 CG2 THR 12 17.946 8.863 16.016 1.00 0.00 ATOM 90 OG1 THR 12 17.280 9.441 13.777 1.00 0.00 ATOM 91 O THR 12 21.274 10.346 15.262 1.00 0.00 ATOM 92 C THR 12 20.218 10.795 15.708 1.00 0.00 ATOM 93 N VAL 13 20.098 11.257 16.949 1.00 0.00 ATOM 94 CA VAL 13 21.229 11.254 17.869 1.00 0.00 ATOM 95 CB VAL 13 21.924 12.629 17.867 1.00 0.00 ATOM 96 CG1 VAL 13 22.539 12.922 16.521 1.00 0.00 ATOM 97 CG2 VAL 13 20.991 13.751 18.273 1.00 0.00 ATOM 98 O VAL 13 19.549 10.872 19.565 1.00 0.00 ATOM 99 C VAL 13 20.742 10.828 19.261 1.00 0.00 ATOM 100 N LYS 14 21.727 10.563 20.110 1.00 0.00 ATOM 101 CA LYS 14 21.489 10.438 21.560 1.00 0.00 ATOM 102 CB LYS 14 21.917 9.053 22.038 1.00 0.00 ATOM 103 CG LYS 14 21.693 8.824 23.536 1.00 0.00 ATOM 104 CD LYS 14 22.012 7.399 23.985 1.00 0.00 ATOM 105 CE LYS 14 23.522 7.141 24.048 1.00 0.00 ATOM 106 NZ LYS 14 23.811 5.914 24.771 1.00 0.00 ATOM 107 O LYS 14 23.471 11.703 22.033 1.00 0.00 ATOM 108 C LYS 14 22.277 11.525 22.281 1.00 0.00 ATOM 109 N VAL 15 21.611 12.251 23.172 1.00 0.00 ATOM 110 CA VAL 15 22.265 13.313 23.917 1.00 0.00 ATOM 111 CB VAL 15 21.225 14.124 24.696 1.00 0.00 ATOM 112 CG1 VAL 15 21.828 15.265 25.513 1.00 0.00 ATOM 113 CG2 VAL 15 20.216 14.659 23.697 1.00 0.00 ATOM 114 O VAL 15 22.888 11.721 25.574 1.00 0.00 ATOM 115 C VAL 15 23.220 12.691 24.891 1.00 0.00 ATOM 116 N VAL 16 24.426 13.246 24.966 1.00 0.00 ATOM 117 CA VAL 16 25.439 12.731 25.879 1.00 0.00 ATOM 118 CB VAL 16 26.686 12.346 25.069 1.00 0.00 ATOM 119 CG1 VAL 16 27.839 12.069 26.032 1.00 0.00 ATOM 120 CG2 VAL 16 26.425 11.142 24.201 1.00 0.00 ATOM 121 O VAL 16 25.738 13.442 28.095 1.00 0.00 ATOM 122 C VAL 16 25.749 13.790 26.933 1.00 0.00 ATOM 123 N LYS 17 26.079 15.005 26.508 1.00 0.00 ATOM 124 CA LYS 17 26.518 16.060 27.441 1.00 0.00 ATOM 125 CB LYS 17 28.018 16.265 27.316 1.00 0.00 ATOM 126 CG LYS 17 28.848 15.082 27.809 1.00 0.00 ATOM 127 CD LYS 17 30.328 15.448 27.698 1.00 0.00 ATOM 128 CE LYS 17 31.157 14.307 28.240 1.00 0.00 ATOM 129 NZ LYS 17 32.587 14.547 28.213 1.00 0.00 ATOM 130 O LYS 17 25.629 17.780 26.028 1.00 0.00 ATOM 131 C LYS 17 25.838 17.401 27.173 1.00 0.00 ATOM 132 N LEU 18 25.527 18.091 28.268 1.00 0.00 ATOM 133 CA LEU 18 24.997 19.461 28.258 1.00 0.00 ATOM 134 CB LEU 18 23.556 19.469 28.757 1.00 0.00 ATOM 135 CG LEU 18 22.897 20.853 28.856 1.00 0.00 ATOM 136 CD1 LEU 18 22.957 21.657 27.557 1.00 0.00 ATOM 137 CD2 LEU 18 21.446 20.658 29.282 1.00 0.00 ATOM 138 O LEU 18 25.784 20.081 30.438 1.00 0.00 ATOM 139 C LEU 18 25.835 20.289 29.227 1.00 0.00 ATOM 140 N HIS 19 26.607 21.230 28.689 1.00 0.00 ATOM 141 CA HIS 19 27.438 22.072 29.515 1.00 0.00 ATOM 142 CB HIS 19 28.887 21.793 29.167 1.00 0.00 ATOM 143 CG HIS 19 29.342 20.374 29.474 1.00 0.00 ATOM 144 CD2 HIS 19 29.499 19.383 28.617 1.00 0.00 ATOM 145 ND1 HIS 19 29.699 19.895 30.650 1.00 0.00 ATOM 146 CE1 HIS 19 30.081 18.642 30.542 1.00 0.00 ATOM 147 NE2 HIS 19 29.935 18.316 29.273 1.00 0.00 ATOM 148 O HIS 19 27.615 24.142 28.314 1.00 0.00 ATOM 149 C HIS 19 27.134 23.547 29.281 1.00 0.00 ATOM 150 N GLY 20 26.338 24.138 30.166 1.00 0.00 ATOM 151 CA GLY 20 25.988 25.533 30.040 1.00 0.00 ATOM 152 O GLY 20 24.390 25.359 28.289 1.00 0.00 ATOM 153 C GLY 20 24.679 25.840 29.386 1.00 0.00 ATOM 154 N THR 21 23.866 26.650 30.055 1.00 0.00 ATOM 155 CA THR 21 22.563 27.024 29.518 1.00 0.00 ATOM 156 CB THR 21 21.883 26.341 28.326 1.00 0.00 ATOM 157 CG2 THR 21 22.302 27.105 27.091 1.00 0.00 ATOM 158 OG1 THR 21 22.003 24.909 28.264 1.00 0.00 ATOM 159 O THR 21 21.425 26.974 31.579 1.00 0.00 ATOM 160 C THR 21 21.616 27.546 30.504 1.00 0.00 ATOM 161 N GLY 22 20.985 28.664 30.161 1.00 0.00 ATOM 162 CA GLY 22 20.013 29.288 31.052 1.00 0.00 ATOM 163 O GLY 22 18.110 27.809 30.909 1.00 0.00 ATOM 164 C GLY 22 18.645 28.854 30.559 1.00 0.00 ATOM 165 N ALA 23 18.209 29.562 29.529 1.00 0.00 ATOM 166 CA ALA 23 16.906 29.330 28.897 1.00 0.00 ATOM 167 CB ALA 23 16.509 30.500 28.012 1.00 0.00 ATOM 168 O ALA 23 15.956 27.253 28.190 1.00 0.00 ATOM 169 C ALA 23 16.896 28.030 28.093 1.00 0.00 ATOM 170 N LEU 24 17.997 27.795 27.413 1.00 0.00 ATOM 171 CA LEU 24 18.178 26.670 26.493 1.00 0.00 ATOM 172 CB LEU 24 19.308 27.116 25.547 1.00 0.00 ATOM 173 CG LEU 24 19.199 28.601 25.123 1.00 0.00 ATOM 174 CD1 LEU 24 20.490 29.212 24.611 1.00 0.00 ATOM 175 CD2 LEU 24 18.201 28.730 23.986 1.00 0.00 ATOM 176 O LEU 24 17.697 24.379 26.905 1.00 0.00 ATOM 177 C LEU 24 18.386 25.323 27.245 1.00 0.00 ATOM 178 N LYS 25 18.953 25.382 28.460 1.00 0.00 ATOM 179 CA LYS 25 19.104 24.246 29.435 1.00 0.00 ATOM 180 CB LYS 25 20.070 24.558 30.582 1.00 0.00 ATOM 181 CG LYS 25 20.278 23.315 31.518 1.00 0.00 ATOM 182 CD LYS 25 21.092 23.628 32.789 1.00 0.00 ATOM 183 CE LYS 25 22.570 23.849 32.512 1.00 0.00 ATOM 184 NZ LYS 25 22.974 25.271 32.666 1.00 0.00 ATOM 185 O LYS 25 17.393 22.648 30.041 1.00 0.00 ATOM 186 C LYS 25 17.739 23.834 29.989 1.00 0.00 ATOM 187 N ARG 26 16.955 24.830 30.392 1.00 0.00 ATOM 188 CA ARG 26 15.630 24.585 30.902 1.00 0.00 ATOM 189 CB ARG 26 15.002 25.889 31.380 1.00 0.00 ATOM 190 CG ARG 26 15.656 26.461 32.638 1.00 0.00 ATOM 191 CD ARG 26 14.696 27.466 33.277 1.00 0.00 ATOM 192 NE ARG 26 14.405 28.573 32.342 1.00 0.00 ATOM 193 CZ ARG 26 15.198 29.652 32.140 1.00 0.00 ATOM 194 NH1 ARG 26 16.298 29.856 32.855 1.00 0.00 ATOM 195 NH2 ARG 26 14.851 30.598 31.286 1.00 0.00 ATOM 196 O ARG 26 13.985 23.045 30.048 1.00 0.00 ATOM 197 C ARG 26 14.720 24.003 29.805 1.00 0.00 ATOM 198 N ARG 27 14.778 24.582 28.611 1.00 0.00 ATOM 199 CA ARG 27 13.960 24.107 27.501 1.00 0.00 ATOM 200 CB ARG 27 14.209 24.968 26.272 1.00 0.00 ATOM 201 CG ARG 27 13.681 26.392 26.414 1.00 0.00 ATOM 202 CD ARG 27 13.910 27.118 25.101 1.00 0.00 ATOM 203 NE ARG 27 13.232 28.425 25.100 1.00 0.00 ATOM 204 CZ ARG 27 13.362 29.335 24.109 1.00 0.00 ATOM 205 NH1 ARG 27 12.875 30.557 24.180 1.00 0.00 ATOM 206 NH2 ARG 27 14.058 29.054 23.036 1.00 0.00 ATOM 207 O ARG 27 13.495 21.796 27.056 1.00 0.00 ATOM 208 C ARG 27 14.355 22.657 27.243 1.00 0.00 ATOM 209 N ILE 28 15.657 22.388 27.236 1.00 0.00 ATOM 210 CA ILE 28 16.160 21.019 27.000 1.00 0.00 ATOM 211 CB ILE 28 17.724 21.003 26.974 1.00 0.00 ATOM 212 CG1 ILE 28 18.253 21.776 25.714 1.00 0.00 ATOM 213 CG2 ILE 28 18.224 19.557 27.031 1.00 0.00 ATOM 214 CD1 ILE 28 17.939 21.093 24.381 1.00 0.00 ATOM 215 O ILE 28 15.107 18.959 27.761 1.00 0.00 ATOM 216 C ILE 28 15.570 20.051 28.093 1.00 0.00 ATOM 217 N MET 29 15.598 20.469 29.355 1.00 0.00 ATOM 218 CA MET 29 15.072 19.644 30.436 1.00 0.00 ATOM 219 CB MET 29 15.246 20.274 31.820 1.00 0.00 ATOM 220 CG MET 29 16.707 20.429 32.216 1.00 0.00 ATOM 221 SD MET 29 17.655 18.868 32.076 1.00 0.00 ATOM 222 CE MET 29 19.282 19.583 32.178 1.00 0.00 ATOM 223 O MET 29 13.155 18.205 30.289 1.00 0.00 ATOM 224 C MET 29 13.590 19.352 30.217 1.00 0.00 ATOM 225 N ASP 30 12.825 20.415 29.950 1.00 0.00 ATOM 226 CA ASP 30 11.364 20.285 29.772 1.00 0.00 ATOM 227 CB ASP 30 10.706 21.645 29.588 1.00 0.00 ATOM 228 CG ASP 30 10.677 22.489 30.864 1.00 0.00 ATOM 229 OD1 ASP 30 10.906 21.906 31.958 1.00 0.00 ATOM 230 OD2 ASP 30 10.389 23.693 30.733 1.00 0.00 ATOM 231 O ASP 30 9.848 18.810 28.640 1.00 0.00 ATOM 232 C ASP 30 10.945 19.419 28.608 1.00 0.00 ATOM 233 N MET 31 11.743 19.378 27.550 1.00 0.00 ATOM 234 CA MET 31 11.493 18.548 26.386 1.00 0.00 ATOM 235 CB MET 31 11.782 19.377 25.128 1.00 0.00 ATOM 236 CG MET 31 11.069 18.831 23.894 1.00 0.00 ATOM 237 SD MET 31 11.175 19.900 22.407 1.00 0.00 ATOM 238 CE MET 31 10.071 21.243 22.836 1.00 0.00 ATOM 239 O MET 31 11.870 16.254 25.702 1.00 0.00 ATOM 240 C MET 31 12.167 17.158 26.486 1.00 0.00 ATOM 241 N GLY 32 12.845 16.908 27.614 1.00 0.00 ATOM 242 CA GLY 32 13.456 15.603 27.972 1.00 0.00 ATOM 243 O GLY 32 14.999 14.068 26.978 1.00 0.00 ATOM 244 C GLY 32 14.684 15.254 27.140 1.00 0.00 ATOM 245 N ILE 33 15.406 16.270 26.683 1.00 0.00 ATOM 246 CA ILE 33 16.633 16.102 25.884 1.00 0.00 ATOM 247 CB ILE 33 16.818 17.314 24.906 1.00 0.00 ATOM 248 CG1 ILE 33 15.469 17.678 24.276 1.00 0.00 ATOM 249 CG2 ILE 33 17.805 16.952 23.776 1.00 0.00 ATOM 250 CD1 ILE 33 15.504 18.882 23.330 1.00 0.00 ATOM 251 O ILE 33 18.735 16.789 26.935 1.00 0.00 ATOM 252 C ILE 33 17.828 15.970 26.854 1.00 0.00 ATOM 253 N THR 34 17.818 14.901 27.620 1.00 0.00 ATOM 254 CA THR 34 18.854 14.690 28.655 1.00 0.00 ATOM 255 CB THR 34 18.313 14.178 30.041 1.00 0.00 ATOM 256 CG2 THR 34 17.211 15.076 30.577 1.00 0.00 ATOM 257 OG1 THR 34 17.913 12.817 29.898 1.00 0.00 ATOM 258 O THR 34 19.705 13.012 27.131 1.00 0.00 ATOM 259 C THR 34 19.837 13.606 28.201 1.00 0.00 ATOM 260 N ARG 35 20.777 13.290 29.091 1.00 0.00 ATOM 261 CA ARG 35 21.759 12.212 28.856 1.00 0.00 ATOM 262 CB ARG 35 22.654 12.037 30.081 1.00 0.00 ATOM 263 CG ARG 35 23.488 13.273 30.328 1.00 0.00 ATOM 264 CD ARG 35 24.314 13.068 31.585 1.00 0.00 ATOM 265 NE ARG 35 25.047 14.304 31.832 1.00 0.00 ATOM 266 CZ ARG 35 26.224 14.539 31.288 1.00 0.00 ATOM 267 NH1 ARG 35 26.879 15.634 31.542 1.00 0.00 ATOM 268 NH2 ARG 35 26.786 13.631 30.522 1.00 0.00 ATOM 269 O ARG 35 20.036 10.551 29.255 1.00 0.00 ATOM 270 C ARG 35 20.984 10.922 28.546 1.00 0.00 ATOM 271 N GLY 36 21.373 10.258 27.464 1.00 0.00 ATOM 272 CA GLY 36 20.831 8.972 27.079 1.00 0.00 ATOM 273 O GLY 36 18.898 8.006 26.042 1.00 0.00 ATOM 274 C GLY 36 19.470 9.054 26.353 1.00 0.00 ATOM 275 N CYS 37 18.930 10.247 26.165 1.00 0.00 ATOM 276 CA CYS 37 17.646 10.419 25.451 1.00 0.00 ATOM 277 CB CYS 37 16.949 11.739 25.809 1.00 0.00 ATOM 278 SG CYS 37 15.345 11.894 24.928 1.00 0.00 ATOM 279 O CYS 37 18.845 11.055 23.469 1.00 0.00 ATOM 280 C CYS 37 17.930 10.399 23.949 1.00 0.00 ATOM 281 N GLU 38 17.001 9.774 23.237 1.00 0.00 ATOM 282 CA GLU 38 17.046 9.705 21.768 1.00 0.00 ATOM 283 CB GLU 38 16.483 8.344 21.355 1.00 0.00 ATOM 284 CG GLU 38 17.450 7.213 21.707 1.00 0.00 ATOM 285 CD GLU 38 16.878 5.808 21.446 1.00 0.00 ATOM 286 OE1 GLU 38 15.680 5.562 21.721 1.00 0.00 ATOM 287 OE2 GLU 38 17.680 4.937 21.078 1.00 0.00 ATOM 288 O GLU 38 15.082 11.064 21.419 1.00 0.00 ATOM 289 C GLU 38 16.287 10.869 21.143 1.00 0.00 ATOM 290 N ILE 39 16.920 11.626 20.277 1.00 0.00 ATOM 291 CA ILE 39 16.340 12.840 19.702 1.00 0.00 ATOM 292 CB ILE 39 16.855 14.094 20.440 1.00 0.00 ATOM 293 CG1 ILE 39 18.364 14.244 20.218 1.00 0.00 ATOM 294 CG2 ILE 39 16.642 13.973 21.947 1.00 0.00 ATOM 295 CD1 ILE 39 19.007 15.566 20.633 1.00 0.00 ATOM 296 O ILE 39 17.547 12.185 17.703 1.00 0.00 ATOM 297 C ILE 39 16.663 12.892 18.197 1.00 0.00 ATOM 298 N TYR 40 16.016 13.810 17.512 1.00 0.00 ATOM 299 CA TYR 40 16.329 14.106 16.098 1.00 0.00 ATOM 300 CB TYR 40 15.097 13.902 15.200 1.00 0.00 ATOM 301 CG TYR 40 14.515 12.482 15.319 1.00 0.00 ATOM 302 CD1 TYR 40 14.888 11.448 14.469 1.00 0.00 ATOM 303 CD2 TYR 40 13.550 12.244 16.273 1.00 0.00 ATOM 304 CE1 TYR 40 14.286 10.198 14.572 1.00 0.00 ATOM 305 CE2 TYR 40 12.938 11.004 16.396 1.00 0.00 ATOM 306 CZ TYR 40 13.301 9.981 15.535 1.00 0.00 ATOM 307 OH TYR 40 12.749 8.764 15.727 1.00 0.00 ATOM 308 O TYR 40 16.288 16.413 16.755 1.00 0.00 ATOM 309 C TYR 40 16.811 15.557 16.047 1.00 0.00 ATOM 310 N ILE 41 17.876 15.784 15.294 1.00 0.00 ATOM 311 CA ILE 41 18.499 17.115 15.238 1.00 0.00 ATOM 312 CB ILE 41 19.953 17.127 15.764 1.00 0.00 ATOM 313 CG1 ILE 41 19.964 16.793 17.228 1.00 0.00 ATOM 314 CG2 ILE 41 20.617 18.483 15.507 1.00 0.00 ATOM 315 CD1 ILE 41 21.395 16.559 17.761 1.00 0.00 ATOM 316 O ILE 41 18.991 16.915 12.912 1.00 0.00 ATOM 317 C ILE 41 18.499 17.608 13.797 1.00 0.00 ATOM 318 N ARG 42 18.292 18.913 13.665 1.00 0.00 ATOM 319 CA ARG 42 18.393 19.551 12.357 1.00 0.00 ATOM 320 CB ARG 42 16.961 19.550 11.822 1.00 0.00 ATOM 321 CG ARG 42 15.978 20.559 12.415 1.00 0.00 ATOM 322 CD ARG 42 16.187 21.946 11.787 1.00 0.00 ATOM 323 NE ARG 42 15.671 21.977 10.407 1.00 0.00 ATOM 324 CZ ARG 42 14.371 21.907 10.094 1.00 0.00 ATOM 325 NH1 ARG 42 13.395 21.816 10.972 1.00 0.00 ATOM 326 NH2 ARG 42 13.987 21.925 8.853 1.00 0.00 ATOM 327 O ARG 42 18.963 21.751 13.125 1.00 0.00 ATOM 328 C ARG 42 19.226 20.828 12.352 1.00 0.00 ATOM 329 N LYS 43 20.229 20.881 11.481 1.00 0.00 ATOM 330 CA LYS 43 21.118 22.083 11.377 1.00 0.00 ATOM 331 CB LYS 43 22.526 21.521 11.173 1.00 0.00 ATOM 332 CG LYS 43 23.690 22.323 11.775 1.00 0.00 ATOM 333 CD LYS 43 25.036 21.622 11.577 1.00 0.00 ATOM 334 CE LYS 43 25.442 21.555 10.102 1.00 0.00 ATOM 335 NZ LYS 43 26.736 20.952 9.784 1.00 0.00 ATOM 336 O LYS 43 21.188 24.179 10.138 1.00 0.00 ATOM 337 C LYS 43 20.678 23.062 10.224 1.00 0.00 ATOM 338 N VAL 44 19.752 22.624 9.377 1.00 0.00 ATOM 339 CA VAL 44 19.279 23.459 8.278 1.00 0.00 ATOM 340 CB VAL 44 18.716 22.585 7.124 1.00 0.00 ATOM 341 CG1 VAL 44 18.034 23.434 6.076 1.00 0.00 ATOM 342 CG2 VAL 44 19.821 21.716 6.498 1.00 0.00 ATOM 343 O VAL 44 17.291 24.101 9.463 1.00 0.00 ATOM 344 C VAL 44 18.259 24.470 8.795 1.00 0.00 ATOM 345 N ALA 45 18.486 25.755 8.475 1.00 0.00 ATOM 346 CA ALA 45 17.594 26.826 8.907 1.00 0.00 ATOM 347 CB ALA 45 17.623 27.031 10.370 1.00 0.00 ATOM 348 O ALA 45 18.888 28.389 7.643 1.00 0.00 ATOM 349 C ALA 45 17.788 28.138 8.125 1.00 0.00 ATOM 350 N PRO 46 16.741 28.961 8.004 1.00 0.00 ATOM 351 CA PRO 46 16.805 30.220 7.258 1.00 0.00 ATOM 352 CB PRO 46 15.349 30.732 7.223 1.00 0.00 ATOM 353 CG PRO 46 14.549 29.556 7.627 1.00 0.00 ATOM 354 CD PRO 46 15.408 28.620 8.460 1.00 0.00 ATOM 355 O PRO 46 18.350 32.044 7.054 1.00 0.00 ATOM 356 C PRO 46 17.850 31.214 7.806 1.00 0.00 ATOM 357 N LEU 47 18.199 31.071 9.082 1.00 0.00 ATOM 358 CA LEU 47 19.249 31.882 9.732 1.00 0.00 ATOM 359 CB LEU 47 19.008 31.989 11.231 1.00 0.00 ATOM 360 CG LEU 47 17.588 32.396 11.603 1.00 0.00 ATOM 361 CD1 LEU 47 17.555 32.634 13.105 1.00 0.00 ATOM 362 CD2 LEU 47 17.106 33.623 10.827 1.00 0.00 ATOM 363 O LEU 47 21.627 32.013 9.861 1.00 0.00 ATOM 364 C LEU 47 20.651 31.314 9.581 1.00 0.00 ATOM 365 N GLY 48 20.767 30.072 9.146 1.00 0.00 ATOM 366 CA GLY 48 22.031 29.533 8.637 1.00 0.00 ATOM 367 O GLY 48 23.976 28.312 9.214 1.00 0.00 ATOM 368 C GLY 48 22.952 28.850 9.625 1.00 0.00 ATOM 369 N ASP 49 22.720 28.831 10.931 1.00 0.00 ATOM 370 CA ASP 49 23.600 28.171 11.895 1.00 0.00 ATOM 371 CB ASP 49 24.667 29.176 12.338 1.00 0.00 ATOM 372 CG ASP 49 24.053 30.409 12.983 1.00 0.00 ATOM 373 OD1 ASP 49 24.021 30.439 14.223 1.00 0.00 ATOM 374 OD2 ASP 49 23.573 31.268 12.241 1.00 0.00 ATOM 375 O ASP 49 23.674 26.715 13.778 1.00 0.00 ATOM 376 C ASP 49 22.965 27.495 13.134 1.00 0.00 ATOM 377 N PRO 50 21.738 27.870 13.533 1.00 0.00 ATOM 378 CA PRO 50 21.033 27.194 14.631 1.00 0.00 ATOM 379 CB PRO 50 19.779 28.026 14.865 1.00 0.00 ATOM 380 CG PRO 50 20.208 29.434 14.477 1.00 0.00 ATOM 381 CD PRO 50 21.052 29.150 13.242 1.00 0.00 ATOM 382 O PRO 50 20.506 25.359 13.138 1.00 0.00 ATOM 383 C PRO 50 20.640 25.764 14.292 1.00 0.00 ATOM 384 N ILE 51 20.295 25.059 15.362 1.00 0.00 ATOM 385 CA ILE 51 19.818 23.680 15.279 1.00 0.00 ATOM 386 CB ILE 51 20.838 22.783 15.970 1.00 0.00 ATOM 387 CG1 ILE 51 22.154 22.750 15.192 1.00 0.00 ATOM 388 CG2 ILE 51 20.316 21.361 16.020 1.00 0.00 ATOM 389 CD1 ILE 51 23.360 22.543 16.094 1.00 0.00 ATOM 390 O ILE 51 18.269 24.174 17.048 1.00 0.00 ATOM 391 C ILE 51 18.437 23.636 15.960 1.00 0.00 ATOM 392 N GLN 52 17.589 22.763 15.452 1.00 0.00 ATOM 393 CA GLN 52 16.331 22.421 16.131 1.00 0.00 ATOM 394 CB GLN 52 15.124 22.590 15.212 1.00 0.00 ATOM 395 CG GLN 52 14.944 24.022 14.720 1.00 0.00 ATOM 396 CD GLN 52 13.816 24.097 13.694 1.00 0.00 ATOM 397 OE1 GLN 52 13.069 23.173 13.413 1.00 0.00 ATOM 398 NE2 GLN 52 13.676 25.255 13.091 1.00 0.00 ATOM 399 O GLN 52 16.739 20.079 15.806 1.00 0.00 ATOM 400 C GLN 52 16.383 20.965 16.583 1.00 0.00 ATOM 401 N ILE 53 16.026 20.721 17.841 1.00 0.00 ATOM 402 CA ILE 53 16.037 19.378 18.369 1.00 0.00 ATOM 403 CB ILE 53 16.673 19.316 19.755 1.00 0.00 ATOM 404 CG1 ILE 53 18.139 19.765 19.675 1.00 0.00 ATOM 405 CG2 ILE 53 16.516 17.876 20.298 1.00 0.00 ATOM 406 CD1 ILE 53 18.719 20.104 20.986 1.00 0.00 ATOM 407 O ILE 53 13.791 19.702 19.150 1.00 0.00 ATOM 408 C ILE 53 14.572 18.983 18.523 1.00 0.00 ATOM 409 N ASN 54 14.202 17.842 17.953 1.00 0.00 ATOM 410 CA ASN 54 12.842 17.377 18.042 1.00 0.00 ATOM 411 CB ASN 54 12.274 17.078 16.640 1.00 0.00 ATOM 412 CG ASN 54 10.862 16.476 16.676 1.00 0.00 ATOM 413 ND2 ASN 54 10.207 16.523 17.816 1.00 0.00 ATOM 414 OD1 ASN 54 10.324 16.034 15.672 1.00 0.00 ATOM 415 O ASN 54 13.663 15.235 18.774 1.00 0.00 ATOM 416 C ASN 54 12.850 16.143 18.956 1.00 0.00 ATOM 417 N VAL 55 11.945 16.116 19.928 1.00 0.00 ATOM 418 CA VAL 55 11.862 14.991 20.852 1.00 0.00 ATOM 419 CB VAL 55 12.544 15.318 22.182 1.00 0.00 ATOM 420 CG1 VAL 55 12.531 14.166 23.196 1.00 0.00 ATOM 421 CG2 VAL 55 13.981 15.690 21.908 1.00 0.00 ATOM 422 O VAL 55 9.674 15.636 21.598 1.00 0.00 ATOM 423 C VAL 55 10.411 14.718 21.235 1.00 0.00 ATOM 424 N ARG 56 10.003 13.456 21.153 1.00 0.00 ATOM 425 CA ARG 56 8.646 13.085 21.494 1.00 0.00 ATOM 426 CB ARG 56 8.528 13.046 23.026 1.00 0.00 ATOM 427 CG ARG 56 9.550 12.048 23.546 1.00 0.00 ATOM 428 CD ARG 56 9.224 11.562 24.942 1.00 0.00 ATOM 429 NE ARG 56 9.203 12.600 25.975 1.00 0.00 ATOM 430 CZ ARG 56 10.312 13.124 26.503 1.00 0.00 ATOM 431 NH1 ARG 56 11.523 12.733 26.104 1.00 0.00 ATOM 432 NH2 ARG 56 10.232 14.039 27.450 1.00 0.00 ATOM 433 O ARG 56 6.535 14.223 21.343 1.00 0.00 ATOM 434 C ARG 56 7.595 13.940 20.782 1.00 0.00 ATOM 435 N GLY 57 7.891 14.345 19.552 1.00 0.00 ATOM 436 CA GLY 57 6.961 15.162 18.781 1.00 0.00 ATOM 437 O GLY 57 6.236 17.435 18.408 1.00 0.00 ATOM 438 C GLY 57 7.021 16.691 18.998 1.00 0.00 ATOM 439 N TYR 58 7.947 17.141 19.838 1.00 0.00 ATOM 440 CA TYR 58 8.091 18.566 20.112 1.00 0.00 ATOM 441 CB TYR 58 8.111 18.788 21.625 1.00 0.00 ATOM 442 CG TYR 58 6.788 18.484 22.336 1.00 0.00 ATOM 443 CD1 TYR 58 6.518 17.175 22.723 1.00 0.00 ATOM 444 CD2 TYR 58 5.884 19.490 22.639 1.00 0.00 ATOM 445 CE1 TYR 58 5.335 16.859 23.362 1.00 0.00 ATOM 446 CE2 TYR 58 4.701 19.186 23.288 1.00 0.00 ATOM 447 CZ TYR 58 4.421 17.875 23.645 1.00 0.00 ATOM 448 OH TYR 58 3.186 17.584 24.134 1.00 0.00 ATOM 449 O TYR 58 10.415 18.494 19.510 1.00 0.00 ATOM 450 C TYR 58 9.356 19.127 19.464 1.00 0.00 ATOM 451 N GLU 59 9.230 20.353 18.966 1.00 0.00 ATOM 452 CA GLU 59 10.333 21.038 18.271 1.00 0.00 ATOM 453 CB GLU 59 9.820 21.744 17.020 1.00 0.00 ATOM 454 CG GLU 59 9.118 20.795 16.037 1.00 0.00 ATOM 455 CD GLU 59 8.435 21.544 14.896 1.00 0.00 ATOM 456 OE1 GLU 59 8.587 22.792 14.802 1.00 0.00 ATOM 457 OE2 GLU 59 7.743 20.843 14.124 1.00 0.00 ATOM 458 O GLU 59 10.232 23.086 19.518 1.00 0.00 ATOM 459 C GLU 59 10.921 22.131 19.157 1.00 0.00 ATOM 460 N LEU 60 12.196 21.991 19.507 1.00 0.00 ATOM 461 CA LEU 60 12.869 22.982 20.355 1.00 0.00 ATOM 462 CB LEU 60 13.191 22.351 21.710 1.00 0.00 ATOM 463 CG LEU 60 13.934 23.262 22.679 1.00 0.00 ATOM 464 CD1 LEU 60 13.126 24.531 22.972 1.00 0.00 ATOM 465 CD2 LEU 60 14.199 22.467 23.952 1.00 0.00 ATOM 466 O LEU 60 15.067 22.695 19.498 1.00 0.00 ATOM 467 C LEU 60 14.131 23.465 19.717 1.00 0.00 ATOM 468 N SER 61 14.175 24.758 19.411 1.00 0.00 ATOM 469 CA SER 61 15.353 25.348 18.788 1.00 0.00 ATOM 470 CB SER 61 14.981 26.578 17.979 1.00 0.00 ATOM 471 OG SER 61 16.133 27.218 17.437 1.00 0.00 ATOM 472 O SER 61 16.104 26.241 20.912 1.00 0.00 ATOM 473 C SER 61 16.400 25.702 19.841 1.00 0.00 ATOM 474 N LEU 62 17.620 25.396 19.466 1.00 0.00 ATOM 475 CA LEU 62 18.792 25.886 20.205 1.00 0.00 ATOM 476 CB LEU 62 19.760 24.763 20.556 1.00 0.00 ATOM 477 CG LEU 62 19.184 23.679 21.458 1.00 0.00 ATOM 478 CD1 LEU 62 20.350 22.730 21.612 1.00 0.00 ATOM 479 CD2 LEU 62 18.751 24.193 22.824 1.00 0.00 ATOM 480 O LEU 62 19.911 26.564 18.177 1.00 0.00 ATOM 481 C LEU 62 19.519 26.871 19.311 1.00 0.00 ATOM 482 N ARG 63 19.759 28.038 19.886 1.00 0.00 ATOM 483 CA ARG 63 20.668 29.007 19.265 1.00 0.00 ATOM 484 CB ARG 63 20.808 30.219 20.193 1.00 0.00 ATOM 485 CG ARG 63 19.484 30.995 20.266 1.00 0.00 ATOM 486 CD ARG 63 19.673 32.283 21.042 1.00 0.00 ATOM 487 NE ARG 63 19.935 31.921 22.443 1.00 0.00 ATOM 488 CZ ARG 63 20.338 32.777 23.392 1.00 0.00 ATOM 489 NH1 ARG 63 20.530 32.339 24.626 1.00 0.00 ATOM 490 NH2 ARG 63 20.589 34.049 23.117 1.00 0.00 ATOM 491 O ARG 63 22.337 27.419 19.880 1.00 0.00 ATOM 492 C ARG 63 22.029 28.316 19.096 1.00 0.00 ATOM 493 N LYS 64 22.842 28.762 18.148 1.00 0.00 ATOM 494 CA LYS 64 24.182 28.161 17.936 1.00 0.00 ATOM 495 CB LYS 64 24.950 28.929 16.855 1.00 0.00 ATOM 496 CG LYS 64 25.546 30.250 17.366 1.00 0.00 ATOM 497 CD LYS 64 26.164 31.046 16.243 1.00 0.00 ATOM 498 CE LYS 64 26.429 32.474 16.683 1.00 0.00 ATOM 499 NZ LYS 64 27.067 33.201 15.583 1.00 0.00 ATOM 500 O LYS 64 25.732 27.169 19.476 1.00 0.00 ATOM 501 C LYS 64 24.994 28.123 19.227 1.00 0.00 ATOM 502 N SER 65 24.856 29.160 20.046 1.00 0.00 ATOM 503 CA SER 65 25.589 29.233 21.326 1.00 0.00 ATOM 504 CB SER 65 25.364 30.548 22.048 1.00 0.00 ATOM 505 OG SER 65 23.970 30.763 22.351 1.00 0.00 ATOM 506 O SER 65 26.017 27.544 23.010 1.00 0.00 ATOM 507 C SER 65 25.185 28.050 22.254 1.00 0.00 ATOM 508 N ALA 66 23.926 27.631 22.184 1.00 0.00 ATOM 509 CA ALA 66 23.449 26.528 23.010 1.00 0.00 ATOM 510 CB ALA 66 21.930 26.563 23.140 1.00 0.00 ATOM 511 O ALA 66 24.063 24.201 23.035 1.00 0.00 ATOM 512 C ALA 66 23.802 25.197 22.363 1.00 0.00 ATOM 513 N ALA 67 23.762 25.222 21.041 1.00 0.00 ATOM 514 CA ALA 67 24.062 24.074 20.198 1.00 0.00 ATOM 515 CB ALA 67 23.728 24.586 18.801 1.00 0.00 ATOM 516 O ALA 67 25.741 22.452 20.750 1.00 0.00 ATOM 517 C ALA 67 25.481 23.639 20.544 1.00 0.00 ATOM 518 N GLU 68 26.398 24.599 20.609 1.00 0.00 ATOM 519 CA GLU 68 27.842 24.301 20.947 1.00 0.00 ATOM 520 CB GLU 68 28.564 25.633 20.818 1.00 0.00 ATOM 521 CG GLU 68 29.976 25.447 20.256 1.00 0.00 ATOM 522 CD GLU 68 31.089 25.556 21.289 1.00 0.00 ATOM 523 OE1 GLU 68 31.061 24.728 22.201 1.00 0.00 ATOM 524 OE2 GLU 68 32.022 26.369 21.073 1.00 0.00 ATOM 525 O GLU 68 28.908 22.751 22.505 1.00 0.00 ATOM 526 C GLU 68 27.998 23.565 22.342 1.00 0.00 ATOM 527 N MET 69 27.120 23.865 23.292 1.00 0.00 ATOM 528 CA MET 69 27.185 23.238 24.607 1.00 0.00 ATOM 529 CB MET 69 26.458 24.183 25.569 1.00 0.00 ATOM 530 CG MET 69 27.216 25.502 25.665 1.00 0.00 ATOM 531 SD MET 69 26.639 26.727 26.882 1.00 0.00 ATOM 532 CE MET 69 25.254 27.328 25.951 1.00 0.00 ATOM 533 O MET 69 26.545 21.313 25.887 1.00 0.00 ATOM 534 C MET 69 26.597 21.840 24.776 1.00 0.00 ATOM 535 N ILE 70 26.150 21.247 23.673 1.00 0.00 ATOM 536 CA ILE 70 25.558 19.903 23.715 1.00 0.00 ATOM 537 CB ILE 70 24.081 19.893 23.291 1.00 0.00 ATOM 538 CG1 ILE 70 23.275 20.745 24.281 1.00 0.00 ATOM 539 CG2 ILE 70 23.602 18.437 23.220 1.00 0.00 ATOM 540 CD1 ILE 70 21.794 20.708 23.988 1.00 0.00 ATOM 541 O ILE 70 26.512 19.163 21.633 1.00 0.00 ATOM 542 C ILE 70 26.398 18.986 22.835 1.00 0.00 ATOM 543 N GLU 71 26.725 17.858 23.454 1.00 0.00 ATOM 544 CA GLU 71 27.492 16.816 22.762 1.00 0.00 ATOM 545 CB GLU 71 28.876 16.619 23.463 1.00 0.00 ATOM 546 CG GLU 71 29.742 17.866 23.514 1.00 0.00 ATOM 547 CD GLU 71 30.138 18.340 22.145 1.00 0.00 ATOM 548 OE1 GLU 71 30.362 17.513 21.216 1.00 0.00 ATOM 549 OE2 GLU 71 30.233 19.548 22.005 1.00 0.00 ATOM 550 O GLU 71 25.934 15.219 23.604 1.00 0.00 ATOM 551 C GLU 71 26.585 15.595 22.622 1.00 0.00 ATOM 552 N VAL 72 26.549 15.008 21.422 1.00 0.00 ATOM 553 CA VAL 72 25.717 13.841 21.173 1.00 0.00 ATOM 554 CB VAL 72 24.526 14.245 20.283 1.00 0.00 ATOM 555 CG1 VAL 72 23.553 15.191 20.989 1.00 0.00 ATOM 556 CG2 VAL 72 24.965 14.879 18.962 1.00 0.00 ATOM 557 O VAL 72 27.664 12.992 20.007 1.00 0.00 ATOM 558 C VAL 72 26.529 12.765 20.450 1.00 0.00 ATOM 559 N GLU 73 25.852 11.624 20.338 1.00 0.00 ATOM 560 CA GLU 73 26.353 10.497 19.553 1.00 0.00 ATOM 561 CB GLU 73 26.615 9.319 20.481 1.00 0.00 ATOM 562 CG GLU 73 27.741 9.575 21.481 1.00 0.00 ATOM 563 CD GLU 73 27.951 8.415 22.437 1.00 0.00 ATOM 564 OE1 GLU 73 29.047 7.818 22.404 1.00 0.00 ATOM 565 OE2 GLU 73 27.029 8.099 23.218 1.00 0.00 ATOM 566 O GLU 73 24.156 10.226 18.617 1.00 0.00 ATOM 567 C GLU 73 25.376 10.111 18.450 1.00 0.00 TER END