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 5 Sun Jul 13 16:23:30 2008 MODEL 5 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 31.179 20.037 13.162 1.00 0.00 ATOM 2 CA MET 1 31.913 20.005 14.436 1.00 0.00 ATOM 3 CB MET 1 31.923 21.383 15.111 1.00 0.00 ATOM 4 CG MET 1 32.550 21.284 16.501 1.00 0.00 ATOM 5 SD MET 1 32.456 22.733 17.598 1.00 0.00 ATOM 6 CE MET 1 33.290 23.882 16.535 1.00 0.00 ATOM 7 O MET 1 31.946 18.155 15.913 1.00 0.00 ATOM 8 C MET 1 31.252 18.999 15.369 1.00 0.00 ATOM 9 N PHE 2 29.945 19.148 15.533 1.00 0.00 ATOM 10 CA PHE 2 29.165 18.252 16.384 1.00 0.00 ATOM 11 CB PHE 2 28.366 19.075 17.372 1.00 0.00 ATOM 12 CG PHE 2 29.181 19.755 18.457 1.00 0.00 ATOM 13 CD1 PHE 2 29.836 19.009 19.422 1.00 0.00 ATOM 14 CD2 PHE 2 29.253 21.140 18.480 1.00 0.00 ATOM 15 CE1 PHE 2 30.581 19.637 20.409 1.00 0.00 ATOM 16 CE2 PHE 2 29.996 21.766 19.457 1.00 0.00 ATOM 17 CZ PHE 2 30.670 21.018 20.418 1.00 0.00 ATOM 18 O PHE 2 27.818 17.888 14.459 1.00 0.00 ATOM 19 C PHE 2 28.170 17.463 15.562 1.00 0.00 ATOM 20 N SER 3 27.585 16.468 16.230 1.00 0.00 ATOM 21 CA SER 3 26.522 15.646 15.632 1.00 0.00 ATOM 22 CB SER 3 26.122 14.431 16.454 1.00 0.00 ATOM 23 OG SER 3 27.265 13.588 16.654 1.00 0.00 ATOM 24 O SER 3 24.850 16.399 14.169 1.00 0.00 ATOM 25 C SER 3 25.283 16.451 15.296 1.00 0.00 ATOM 26 N LEU 4 25.001 17.402 16.178 1.00 0.00 ATOM 27 CA LEU 4 23.927 18.400 16.072 1.00 0.00 ATOM 28 CB LEU 4 24.119 19.407 17.202 1.00 0.00 ATOM 29 CG LEU 4 24.625 18.878 18.544 1.00 0.00 ATOM 30 CD1 LEU 4 25.707 19.833 19.020 1.00 0.00 ATOM 31 CD2 LEU 4 23.539 18.941 19.605 1.00 0.00 ATOM 32 O LEU 4 23.122 19.369 13.991 1.00 0.00 ATOM 33 C LEU 4 24.034 19.225 14.781 1.00 0.00 ATOM 34 N ARG 5 25.239 19.759 14.639 1.00 0.00 ATOM 35 CA ARG 5 25.602 20.695 13.564 1.00 0.00 ATOM 36 CB ARG 5 27.001 21.227 13.829 1.00 0.00 ATOM 37 CG ARG 5 27.063 22.081 15.102 1.00 0.00 ATOM 38 CD ARG 5 28.370 22.883 15.188 1.00 0.00 ATOM 39 NE ARG 5 28.630 23.579 13.911 1.00 0.00 ATOM 40 CZ ARG 5 28.577 24.889 13.645 1.00 0.00 ATOM 41 NH1 ARG 5 28.271 25.828 14.514 1.00 0.00 ATOM 42 NH2 ARG 5 28.881 25.346 12.456 1.00 0.00 ATOM 43 O ARG 5 24.927 20.555 11.249 1.00 0.00 ATOM 44 C ARG 5 25.528 20.032 12.185 1.00 0.00 ATOM 45 N ASP 6 26.014 18.793 12.136 1.00 0.00 ATOM 46 CA ASP 6 26.007 18.023 10.882 1.00 0.00 ATOM 47 CB ASP 6 27.409 17.442 10.627 1.00 0.00 ATOM 48 CG ASP 6 28.482 18.520 10.442 1.00 0.00 ATOM 49 OD1 ASP 6 28.263 19.444 9.632 1.00 0.00 ATOM 50 OD2 ASP 6 29.493 18.440 11.181 1.00 0.00 ATOM 51 O ASP 6 24.987 15.955 10.104 1.00 0.00 ATOM 52 C ASP 6 24.943 16.911 10.893 1.00 0.00 ATOM 53 N ALA 7 23.911 17.088 11.723 1.00 0.00 ATOM 54 CA ALA 7 22.803 16.115 11.786 1.00 0.00 ATOM 55 CB ALA 7 22.292 15.720 13.171 1.00 0.00 ATOM 56 O ALA 7 21.091 17.759 11.348 1.00 0.00 ATOM 57 C ALA 7 21.630 16.707 11.029 1.00 0.00 ATOM 58 N LYS 8 21.369 16.049 9.918 1.00 0.00 ATOM 59 CA LYS 8 20.229 16.444 9.083 1.00 0.00 ATOM 60 CB LYS 8 20.277 15.754 7.711 1.00 0.00 ATOM 61 CG LYS 8 21.508 16.172 6.913 1.00 0.00 ATOM 62 CD LYS 8 21.422 15.664 5.490 1.00 0.00 ATOM 63 CE LYS 8 22.556 16.193 4.616 1.00 0.00 ATOM 64 NZ LYS 8 22.551 15.571 3.294 1.00 0.00 ATOM 65 O LYS 8 18.984 15.134 10.604 1.00 0.00 ATOM 66 C LYS 8 18.940 16.068 9.833 1.00 0.00 ATOM 67 N CYS 9 17.802 16.614 9.437 1.00 0.00 ATOM 68 CA CYS 9 16.505 16.322 10.063 1.00 0.00 ATOM 69 CB CYS 9 15.536 17.480 9.925 1.00 0.00 ATOM 70 SG CYS 9 14.180 17.245 11.134 1.00 0.00 ATOM 71 O CYS 9 15.421 15.109 8.274 1.00 0.00 ATOM 72 C CYS 9 15.861 15.084 9.429 1.00 0.00 ATOM 73 N GLY 10 15.992 14.001 10.161 1.00 0.00 ATOM 74 CA GLY 10 15.501 12.703 9.692 1.00 0.00 ATOM 75 O GLY 10 15.471 10.583 10.700 1.00 0.00 ATOM 76 C GLY 10 16.170 11.547 10.424 1.00 0.00 ATOM 77 N GLN 11 17.447 11.699 10.756 1.00 0.00 ATOM 78 CA GLN 11 18.210 10.688 11.514 1.00 0.00 ATOM 79 CB GLN 11 19.667 10.825 11.085 1.00 0.00 ATOM 80 CG GLN 11 19.940 10.444 9.637 1.00 0.00 ATOM 81 CD GLN 11 19.541 9.015 9.325 1.00 0.00 ATOM 82 OE1 GLN 11 19.927 8.014 9.911 1.00 0.00 ATOM 83 NE2 GLN 11 18.795 8.941 8.281 1.00 0.00 ATOM 84 O GLN 11 17.575 11.862 13.520 1.00 0.00 ATOM 85 C GLN 11 18.082 10.861 13.028 1.00 0.00 ATOM 86 N THR 12 18.374 9.840 13.800 1.00 0.00 ATOM 87 CA THR 12 18.247 9.919 15.273 1.00 0.00 ATOM 88 CB THR 12 17.518 8.707 15.869 1.00 0.00 ATOM 89 CG2 THR 12 16.135 8.477 15.286 1.00 0.00 ATOM 90 OG1 THR 12 18.315 7.551 15.648 1.00 0.00 ATOM 91 O THR 12 20.618 9.463 15.370 1.00 0.00 ATOM 92 C THR 12 19.632 9.976 15.907 1.00 0.00 ATOM 93 N VAL 13 19.670 10.576 17.067 1.00 0.00 ATOM 94 CA VAL 13 20.926 10.759 17.799 1.00 0.00 ATOM 95 CB VAL 13 21.591 12.099 17.452 1.00 0.00 ATOM 96 CG1 VAL 13 22.075 12.202 16.006 1.00 0.00 ATOM 97 CG2 VAL 13 20.654 13.250 17.741 1.00 0.00 ATOM 98 O VAL 13 19.494 10.626 19.722 1.00 0.00 ATOM 99 C VAL 13 20.642 10.668 19.298 1.00 0.00 ATOM 100 N LYS 14 21.709 10.738 20.073 1.00 0.00 ATOM 101 CA LYS 14 21.547 10.658 21.518 1.00 0.00 ATOM 102 CB LYS 14 21.986 9.261 21.898 1.00 0.00 ATOM 103 CG LYS 14 21.153 8.047 21.517 1.00 0.00 ATOM 104 CD LYS 14 21.795 6.809 22.126 1.00 0.00 ATOM 105 CE LYS 14 20.975 5.622 21.650 1.00 0.00 ATOM 106 NZ LYS 14 21.490 4.396 22.235 1.00 0.00 ATOM 107 O LYS 14 23.515 12.026 21.918 1.00 0.00 ATOM 108 C LYS 14 22.355 11.758 22.219 1.00 0.00 ATOM 109 N VAL 15 21.690 12.423 23.147 1.00 0.00 ATOM 110 CA VAL 15 22.309 13.513 23.929 1.00 0.00 ATOM 111 CB VAL 15 21.253 14.407 24.605 1.00 0.00 ATOM 112 CG1 VAL 15 21.879 15.567 25.379 1.00 0.00 ATOM 113 CG2 VAL 15 20.314 14.985 23.560 1.00 0.00 ATOM 114 O VAL 15 22.879 12.513 26.034 1.00 0.00 ATOM 115 C VAL 15 23.278 12.943 24.964 1.00 0.00 ATOM 116 N VAL 16 24.559 13.140 24.735 1.00 0.00 ATOM 117 CA VAL 16 25.576 12.719 25.723 1.00 0.00 ATOM 118 CB VAL 16 26.971 12.668 25.069 1.00 0.00 ATOM 119 CG1 VAL 16 28.088 12.371 26.077 1.00 0.00 ATOM 120 CG2 VAL 16 26.930 11.642 23.937 1.00 0.00 ATOM 121 O VAL 16 25.510 13.298 28.046 1.00 0.00 ATOM 122 C VAL 16 25.557 13.706 26.890 1.00 0.00 ATOM 123 N LYS 17 25.905 14.936 26.564 1.00 0.00 ATOM 124 CA LYS 17 26.077 15.989 27.583 1.00 0.00 ATOM 125 CB LYS 17 27.547 16.130 27.954 1.00 0.00 ATOM 126 CG LYS 17 28.098 14.871 28.623 1.00 0.00 ATOM 127 CD LYS 17 29.584 15.021 28.829 1.00 0.00 ATOM 128 CE LYS 17 30.152 13.768 29.439 1.00 0.00 ATOM 129 NZ LYS 17 31.519 14.072 29.819 1.00 0.00 ATOM 130 O LYS 17 25.478 17.521 25.856 1.00 0.00 ATOM 131 C LYS 17 25.567 17.322 27.055 1.00 0.00 ATOM 132 N LEU 18 25.192 18.177 27.983 1.00 0.00 ATOM 133 CA LEU 18 24.754 19.530 27.634 1.00 0.00 ATOM 134 CB LEU 18 23.225 19.535 27.708 1.00 0.00 ATOM 135 CG LEU 18 22.526 20.882 27.806 1.00 0.00 ATOM 136 CD1 LEU 18 21.172 20.675 27.157 1.00 0.00 ATOM 137 CD2 LEU 18 22.191 21.295 29.241 1.00 0.00 ATOM 138 O LEU 18 25.457 20.152 29.775 1.00 0.00 ATOM 139 C LEU 18 25.383 20.503 28.610 1.00 0.00 ATOM 140 N HIS 19 25.780 21.650 28.090 1.00 0.00 ATOM 141 CA HIS 19 26.298 22.730 28.932 1.00 0.00 ATOM 142 CB HIS 19 27.155 23.674 28.123 1.00 0.00 ATOM 143 CG HIS 19 27.824 24.815 28.870 1.00 0.00 ATOM 144 CD2 HIS 19 29.117 24.877 29.135 1.00 0.00 ATOM 145 ND1 HIS 19 27.231 25.918 29.296 1.00 0.00 ATOM 146 CE1 HIS 19 28.139 26.663 29.887 1.00 0.00 ATOM 147 NE2 HIS 19 29.289 26.012 29.785 1.00 0.00 ATOM 148 O HIS 19 24.046 23.600 29.108 1.00 0.00 ATOM 149 C HIS 19 25.145 23.459 29.628 1.00 0.00 ATOM 150 N GLY 20 25.445 23.874 30.851 1.00 0.00 ATOM 151 CA GLY 20 24.466 24.560 31.705 1.00 0.00 ATOM 152 O GLY 20 24.820 26.871 31.079 1.00 0.00 ATOM 153 C GLY 20 24.043 25.920 31.139 1.00 0.00 ATOM 154 N THR 21 22.728 26.026 31.009 1.00 0.00 ATOM 155 CA THR 21 22.063 27.298 30.652 1.00 0.00 ATOM 156 CB THR 21 21.890 27.408 29.124 1.00 0.00 ATOM 157 CG2 THR 21 21.153 28.683 28.720 1.00 0.00 ATOM 158 OG1 THR 21 23.181 27.428 28.522 1.00 0.00 ATOM 159 O THR 21 19.958 26.307 31.064 1.00 0.00 ATOM 160 C THR 21 20.710 27.237 31.321 1.00 0.00 ATOM 161 N GLY 22 20.343 28.270 32.056 1.00 0.00 ATOM 162 CA GLY 22 19.070 28.278 32.817 1.00 0.00 ATOM 163 O GLY 22 16.972 27.383 32.051 1.00 0.00 ATOM 164 C GLY 22 17.842 28.235 31.907 1.00 0.00 ATOM 165 N ALA 23 17.795 29.181 30.975 1.00 0.00 ATOM 166 CA ALA 23 16.605 29.273 30.119 1.00 0.00 ATOM 167 CB ALA 23 16.535 30.564 29.322 1.00 0.00 ATOM 168 O ALA 23 15.417 27.438 29.159 1.00 0.00 ATOM 169 C ALA 23 16.462 28.081 29.168 1.00 0.00 ATOM 170 N LEU 24 17.566 27.729 28.521 1.00 0.00 ATOM 171 CA LEU 24 17.559 26.588 27.598 1.00 0.00 ATOM 172 CB LEU 24 18.872 26.419 26.866 1.00 0.00 ATOM 173 CG LEU 24 19.231 27.503 25.884 1.00 0.00 ATOM 174 CD1 LEU 24 20.679 27.272 25.514 1.00 0.00 ATOM 175 CD2 LEU 24 18.349 27.521 24.641 1.00 0.00 ATOM 176 O LEU 24 16.385 24.585 27.944 1.00 0.00 ATOM 177 C LEU 24 17.296 25.283 28.344 1.00 0.00 ATOM 178 N LYS 25 17.879 25.167 29.537 1.00 0.00 ATOM 179 CA LYS 25 17.719 23.961 30.371 1.00 0.00 ATOM 180 CB LYS 25 18.475 24.051 31.684 1.00 0.00 ATOM 181 CG LYS 25 18.460 22.763 32.512 1.00 0.00 ATOM 182 CD LYS 25 19.309 22.986 33.759 1.00 0.00 ATOM 183 CE LYS 25 19.371 21.679 34.529 1.00 0.00 ATOM 184 NZ LYS 25 20.065 21.807 35.817 1.00 0.00 ATOM 185 O LYS 25 15.804 22.582 30.680 1.00 0.00 ATOM 186 C LYS 25 16.242 23.721 30.712 1.00 0.00 ATOM 187 N ARG 26 15.503 24.781 31.016 1.00 0.00 ATOM 188 CA ARG 26 14.075 24.592 31.365 1.00 0.00 ATOM 189 CB ARG 26 13.330 25.861 31.715 1.00 0.00 ATOM 190 CG ARG 26 13.645 26.367 33.103 1.00 0.00 ATOM 191 CD ARG 26 12.564 27.336 33.577 1.00 0.00 ATOM 192 NE ARG 26 12.768 28.641 32.941 1.00 0.00 ATOM 193 CZ ARG 26 13.805 29.457 33.102 1.00 0.00 ATOM 194 NH1 ARG 26 14.745 29.191 33.988 1.00 0.00 ATOM 195 NH2 ARG 26 13.916 30.569 32.376 1.00 0.00 ATOM 196 O ARG 26 12.628 22.991 30.371 1.00 0.00 ATOM 197 C ARG 26 13.286 24.007 30.209 1.00 0.00 ATOM 198 N ARG 27 13.471 24.624 29.054 1.00 0.00 ATOM 199 CA ARG 27 12.780 24.156 27.857 1.00 0.00 ATOM 200 CB ARG 27 12.988 25.118 26.720 1.00 0.00 ATOM 201 CG ARG 27 12.227 26.423 26.886 1.00 0.00 ATOM 202 CD ARG 27 12.193 27.091 25.509 1.00 0.00 ATOM 203 NE ARG 27 13.472 27.660 25.076 1.00 0.00 ATOM 204 CZ ARG 27 14.120 28.730 25.538 1.00 0.00 ATOM 205 NH1 ARG 27 13.609 29.498 26.456 1.00 0.00 ATOM 206 NH2 ARG 27 15.318 29.054 25.098 1.00 0.00 ATOM 207 O ARG 27 12.424 21.902 27.190 1.00 0.00 ATOM 208 C ARG 27 13.252 22.757 27.457 1.00 0.00 ATOM 209 N ILE 28 14.546 22.505 27.659 1.00 0.00 ATOM 210 CA ILE 28 15.188 21.207 27.416 1.00 0.00 ATOM 211 CB ILE 28 16.702 21.354 27.658 1.00 0.00 ATOM 212 CG1 ILE 28 17.328 22.244 26.582 1.00 0.00 ATOM 213 CG2 ILE 28 17.395 20.020 27.526 1.00 0.00 ATOM 214 CD1 ILE 28 18.778 22.652 26.450 1.00 0.00 ATOM 215 O ILE 28 14.234 19.031 27.779 1.00 0.00 ATOM 216 C ILE 28 14.562 20.108 28.277 1.00 0.00 ATOM 217 N MET 29 14.418 20.400 29.566 1.00 0.00 ATOM 218 CA MET 29 13.833 19.448 30.530 1.00 0.00 ATOM 219 CB MET 29 13.829 19.982 31.949 1.00 0.00 ATOM 220 CG MET 29 15.237 20.095 32.522 1.00 0.00 ATOM 221 SD MET 29 16.148 18.515 32.659 1.00 0.00 ATOM 222 CE MET 29 15.217 17.745 33.973 1.00 0.00 ATOM 223 O MET 29 12.106 17.900 29.965 1.00 0.00 ATOM 224 C MET 29 12.399 19.078 30.162 1.00 0.00 ATOM 225 N ASP 30 11.631 20.105 29.793 1.00 0.00 ATOM 226 CA ASP 30 10.242 19.910 29.350 1.00 0.00 ATOM 227 CB ASP 30 9.579 21.260 29.101 1.00 0.00 ATOM 228 CG ASP 30 9.370 22.089 30.373 1.00 0.00 ATOM 229 OD1 ASP 30 9.483 21.538 31.491 1.00 0.00 ATOM 230 OD2 ASP 30 9.074 23.298 30.224 1.00 0.00 ATOM 231 O ASP 30 9.443 18.070 28.009 1.00 0.00 ATOM 232 C ASP 30 10.170 19.057 28.079 1.00 0.00 ATOM 233 N MET 31 11.084 19.362 27.165 1.00 0.00 ATOM 234 CA MET 31 11.263 18.600 25.905 1.00 0.00 ATOM 235 CB MET 31 12.412 19.115 25.062 1.00 0.00 ATOM 236 CG MET 31 12.223 20.566 24.712 1.00 0.00 ATOM 237 SD MET 31 10.752 20.889 23.723 1.00 0.00 ATOM 238 CE MET 31 10.321 22.443 24.457 1.00 0.00 ATOM 239 O MET 31 11.646 16.332 25.237 1.00 0.00 ATOM 240 C MET 31 11.675 17.149 26.147 1.00 0.00 ATOM 241 N GLY 32 12.357 16.967 27.267 1.00 0.00 ATOM 242 CA GLY 32 13.005 15.700 27.639 1.00 0.00 ATOM 243 O GLY 32 14.742 14.383 26.629 1.00 0.00 ATOM 244 C GLY 32 14.318 15.521 26.867 1.00 0.00 ATOM 245 N ILE 33 14.960 16.620 26.498 1.00 0.00 ATOM 246 CA ILE 33 16.294 16.527 25.870 1.00 0.00 ATOM 247 CB ILE 33 16.584 17.664 24.914 1.00 0.00 ATOM 248 CG1 ILE 33 15.479 17.601 23.873 1.00 0.00 ATOM 249 CG2 ILE 33 17.966 17.509 24.256 1.00 0.00 ATOM 250 CD1 ILE 33 15.449 18.870 23.082 1.00 0.00 ATOM 251 O ILE 33 17.930 17.395 27.444 1.00 0.00 ATOM 252 C ILE 33 17.303 16.455 27.010 1.00 0.00 ATOM 253 N THR 34 17.484 15.279 27.508 1.00 0.00 ATOM 254 CA THR 34 18.399 15.127 28.638 1.00 0.00 ATOM 255 CB THR 34 17.649 14.609 29.847 1.00 0.00 ATOM 256 CG2 THR 34 16.489 15.537 30.223 1.00 0.00 ATOM 257 OG1 THR 34 17.171 13.342 29.463 1.00 0.00 ATOM 258 O THR 34 19.343 13.498 27.149 1.00 0.00 ATOM 259 C THR 34 19.454 14.128 28.198 1.00 0.00 ATOM 260 N ARG 35 20.537 14.128 28.943 1.00 0.00 ATOM 261 CA ARG 35 21.594 13.135 28.693 1.00 0.00 ATOM 262 CB ARG 35 22.657 13.117 29.774 1.00 0.00 ATOM 263 CG ARG 35 23.377 14.449 29.818 1.00 0.00 ATOM 264 CD ARG 35 24.575 14.244 30.720 1.00 0.00 ATOM 265 NE ARG 35 25.282 15.506 30.931 1.00 0.00 ATOM 266 CZ ARG 35 26.264 15.691 31.816 1.00 0.00 ATOM 267 NH1 ARG 35 26.884 16.837 31.834 1.00 0.00 ATOM 268 NH2 ARG 35 26.599 14.823 32.753 1.00 0.00 ATOM 269 O ARG 35 20.119 11.332 29.394 1.00 0.00 ATOM 270 C ARG 35 21.004 11.727 28.624 1.00 0.00 ATOM 271 N GLY 36 21.415 11.047 27.582 1.00 0.00 ATOM 272 CA GLY 36 20.923 9.707 27.315 1.00 0.00 ATOM 273 O GLY 36 19.147 8.642 26.277 1.00 0.00 ATOM 274 C GLY 36 19.616 9.721 26.528 1.00 0.00 ATOM 275 N CYS 37 19.041 10.884 26.215 1.00 0.00 ATOM 276 CA CYS 37 17.777 10.954 25.457 1.00 0.00 ATOM 277 CB CYS 37 16.902 12.159 25.813 1.00 0.00 ATOM 278 SG CYS 37 15.321 12.048 24.880 1.00 0.00 ATOM 279 O CYS 37 18.828 11.828 23.475 1.00 0.00 ATOM 280 C CYS 37 18.045 11.002 23.951 1.00 0.00 ATOM 281 N GLU 38 17.253 10.204 23.259 1.00 0.00 ATOM 282 CA GLU 38 17.312 10.159 21.785 1.00 0.00 ATOM 283 CB GLU 38 16.771 8.828 21.295 1.00 0.00 ATOM 284 CG GLU 38 17.637 7.684 21.794 1.00 0.00 ATOM 285 CD GLU 38 17.073 6.317 21.403 1.00 0.00 ATOM 286 OE1 GLU 38 16.050 6.286 20.713 1.00 0.00 ATOM 287 OE2 GLU 38 17.731 5.317 21.729 1.00 0.00 ATOM 288 O GLU 38 15.378 11.576 21.583 1.00 0.00 ATOM 289 C GLU 38 16.493 11.295 21.181 1.00 0.00 ATOM 290 N ILE 39 17.130 11.984 20.255 1.00 0.00 ATOM 291 CA ILE 39 16.551 13.183 19.629 1.00 0.00 ATOM 292 CB ILE 39 17.092 14.481 20.275 1.00 0.00 ATOM 293 CG1 ILE 39 18.603 14.623 20.044 1.00 0.00 ATOM 294 CG2 ILE 39 16.783 14.527 21.780 1.00 0.00 ATOM 295 CD1 ILE 39 19.270 15.946 20.409 1.00 0.00 ATOM 296 O ILE 39 17.732 12.463 17.664 1.00 0.00 ATOM 297 C ILE 39 16.830 13.157 18.116 1.00 0.00 ATOM 298 N TYR 40 16.010 13.852 17.363 1.00 0.00 ATOM 299 CA TYR 40 16.243 14.086 15.927 1.00 0.00 ATOM 300 CB TYR 40 14.966 14.003 15.092 1.00 0.00 ATOM 301 CG TYR 40 14.380 12.609 15.082 1.00 0.00 ATOM 302 CD1 TYR 40 13.556 12.218 16.121 1.00 0.00 ATOM 303 CD2 TYR 40 14.591 11.787 13.998 1.00 0.00 ATOM 304 CE1 TYR 40 12.966 10.976 16.056 1.00 0.00 ATOM 305 CE2 TYR 40 13.983 10.549 13.946 1.00 0.00 ATOM 306 CZ TYR 40 13.165 10.135 14.979 1.00 0.00 ATOM 307 OH TYR 40 12.693 8.875 14.994 1.00 0.00 ATOM 308 O TYR 40 15.943 16.457 16.084 1.00 0.00 ATOM 309 C TYR 40 16.686 15.521 15.782 1.00 0.00 ATOM 310 N ILE 41 17.920 15.674 15.364 1.00 0.00 ATOM 311 CA ILE 41 18.502 17.005 15.209 1.00 0.00 ATOM 312 CB ILE 41 19.974 16.814 15.574 1.00 0.00 ATOM 313 CG1 ILE 41 20.138 16.584 17.079 1.00 0.00 ATOM 314 CG2 ILE 41 20.797 17.979 15.103 1.00 0.00 ATOM 315 CD1 ILE 41 21.589 16.472 17.589 1.00 0.00 ATOM 316 O ILE 41 18.578 16.876 12.788 1.00 0.00 ATOM 317 C ILE 41 18.243 17.517 13.778 1.00 0.00 ATOM 318 N ARG 42 17.799 18.760 13.689 1.00 0.00 ATOM 319 CA ARG 42 17.591 19.384 12.387 1.00 0.00 ATOM 320 CB ARG 42 16.192 19.987 12.318 1.00 0.00 ATOM 321 CG ARG 42 15.988 20.612 10.941 1.00 0.00 ATOM 322 CD ARG 42 14.600 21.160 10.904 1.00 0.00 ATOM 323 NE ARG 42 14.287 21.554 9.524 1.00 0.00 ATOM 324 CZ ARG 42 13.034 21.549 9.088 1.00 0.00 ATOM 325 NH1 ARG 42 12.020 21.138 9.841 1.00 0.00 ATOM 326 NH2 ARG 42 12.763 21.974 7.881 1.00 0.00 ATOM 327 O ARG 42 18.514 21.529 12.874 1.00 0.00 ATOM 328 C ARG 42 18.606 20.505 12.195 1.00 0.00 ATOM 329 N LYS 43 19.269 20.397 11.061 1.00 0.00 ATOM 330 CA LYS 43 20.094 21.498 10.540 1.00 0.00 ATOM 331 CB LYS 43 21.107 20.995 9.518 1.00 0.00 ATOM 332 CG LYS 43 22.009 22.114 9.006 1.00 0.00 ATOM 333 CD LYS 43 22.935 21.591 7.926 1.00 0.00 ATOM 334 CE LYS 43 23.750 22.736 7.334 1.00 0.00 ATOM 335 NZ LYS 43 24.772 22.206 6.411 1.00 0.00 ATOM 336 O LYS 43 18.312 22.221 9.016 1.00 0.00 ATOM 337 C LYS 43 19.164 22.509 9.867 1.00 0.00 ATOM 338 N VAL 44 19.389 23.739 10.291 1.00 0.00 ATOM 339 CA VAL 44 18.620 24.872 9.770 1.00 0.00 ATOM 340 CB VAL 44 17.675 25.371 10.871 1.00 0.00 ATOM 341 CG1 VAL 44 16.759 26.472 10.352 1.00 0.00 ATOM 342 CG2 VAL 44 16.732 24.281 11.366 1.00 0.00 ATOM 343 O VAL 44 20.447 25.565 8.356 1.00 0.00 ATOM 344 C VAL 44 19.596 25.904 9.175 1.00 0.00 ATOM 345 N ALA 45 19.397 27.162 9.572 1.00 0.00 ATOM 346 CA ALA 45 20.163 28.317 9.127 1.00 0.00 ATOM 347 CB ALA 45 19.749 29.571 9.906 1.00 0.00 ATOM 348 O ALA 45 21.974 27.624 10.489 1.00 0.00 ATOM 349 C ALA 45 21.624 27.985 9.380 1.00 0.00 ATOM 350 N PRO 46 22.413 27.948 8.314 1.00 0.00 ATOM 351 CA PRO 46 23.832 27.566 8.399 1.00 0.00 ATOM 352 CB PRO 46 24.315 27.576 6.954 1.00 0.00 ATOM 353 CG PRO 46 23.370 28.574 6.266 1.00 0.00 ATOM 354 CD PRO 46 22.028 28.319 6.947 1.00 0.00 ATOM 355 O PRO 46 25.592 27.973 9.936 1.00 0.00 ATOM 356 C PRO 46 24.690 28.481 9.279 1.00 0.00 ATOM 357 N LEU 47 24.404 29.778 9.318 1.00 0.00 ATOM 358 CA LEU 47 25.276 30.719 10.061 1.00 0.00 ATOM 359 CB LEU 47 24.883 32.188 9.896 1.00 0.00 ATOM 360 CG LEU 47 25.785 33.175 10.663 1.00 0.00 ATOM 361 CD1 LEU 47 27.277 33.021 10.358 1.00 0.00 ATOM 362 CD2 LEU 47 25.379 34.620 10.358 1.00 0.00 ATOM 363 O LEU 47 26.282 29.947 12.109 1.00 0.00 ATOM 364 C LEU 47 25.279 30.381 11.548 1.00 0.00 ATOM 365 N GLY 48 24.099 30.556 12.129 1.00 0.00 ATOM 366 CA GLY 48 23.880 30.120 13.503 1.00 0.00 ATOM 367 O GLY 48 24.735 28.120 14.579 1.00 0.00 ATOM 368 C GLY 48 24.194 28.628 13.599 1.00 0.00 ATOM 369 N ASP 49 23.862 27.966 12.496 1.00 0.00 ATOM 370 CA ASP 49 23.686 26.519 12.407 1.00 0.00 ATOM 371 CB ASP 49 25.084 25.883 12.304 1.00 0.00 ATOM 372 CG ASP 49 25.193 24.504 11.652 1.00 0.00 ATOM 373 OD1 ASP 49 26.356 24.075 11.495 1.00 0.00 ATOM 374 OD2 ASP 49 24.165 23.912 11.277 1.00 0.00 ATOM 375 O ASP 49 23.096 25.132 14.227 1.00 0.00 ATOM 376 C ASP 49 22.806 26.139 13.606 1.00 0.00 ATOM 377 N PRO 50 21.833 26.995 14.027 1.00 0.00 ATOM 378 CA PRO 50 21.075 26.729 15.252 1.00 0.00 ATOM 379 CB PRO 50 20.066 27.879 15.358 1.00 0.00 ATOM 380 CG PRO 50 19.694 28.157 13.915 1.00 0.00 ATOM 381 CD PRO 50 21.028 27.942 13.210 1.00 0.00 ATOM 382 O PRO 50 20.129 25.084 13.753 1.00 0.00 ATOM 383 C PRO 50 20.386 25.415 14.922 1.00 0.00 ATOM 384 N ILE 51 20.290 24.592 15.934 1.00 0.00 ATOM 385 CA ILE 51 19.788 23.279 15.610 1.00 0.00 ATOM 386 CB ILE 51 20.830 22.254 16.005 1.00 0.00 ATOM 387 CG1 ILE 51 22.220 22.421 15.354 1.00 0.00 ATOM 388 CG2 ILE 51 20.195 20.956 15.583 1.00 0.00 ATOM 389 CD1 ILE 51 22.275 22.381 13.816 1.00 0.00 ATOM 390 O ILE 51 18.304 23.425 17.480 1.00 0.00 ATOM 391 C ILE 51 18.439 23.120 16.302 1.00 0.00 ATOM 392 N GLN 52 17.488 22.620 15.527 1.00 0.00 ATOM 393 CA GLN 52 16.192 22.290 16.129 1.00 0.00 ATOM 394 CB GLN 52 15.048 22.427 15.135 1.00 0.00 ATOM 395 CG GLN 52 15.058 23.838 14.586 1.00 0.00 ATOM 396 CD GLN 52 14.622 24.876 15.612 1.00 0.00 ATOM 397 OE1 GLN 52 13.717 24.753 16.428 1.00 0.00 ATOM 398 NE2 GLN 52 15.326 25.970 15.568 1.00 0.00 ATOM 399 O GLN 52 16.527 19.936 15.843 1.00 0.00 ATOM 400 C GLN 52 16.234 20.856 16.597 1.00 0.00 ATOM 401 N ILE 53 15.965 20.708 17.873 1.00 0.00 ATOM 402 CA ILE 53 15.931 19.399 18.489 1.00 0.00 ATOM 403 CB ILE 53 16.569 19.400 19.873 1.00 0.00 ATOM 404 CG1 ILE 53 17.962 20.060 19.908 1.00 0.00 ATOM 405 CG2 ILE 53 16.644 17.927 20.278 1.00 0.00 ATOM 406 CD1 ILE 53 19.026 19.454 18.982 1.00 0.00 ATOM 407 O ILE 53 13.625 19.514 19.186 1.00 0.00 ATOM 408 C ILE 53 14.486 18.938 18.536 1.00 0.00 ATOM 409 N ASN 54 14.268 17.873 17.785 1.00 0.00 ATOM 410 CA ASN 54 12.927 17.319 17.649 1.00 0.00 ATOM 411 CB ASN 54 12.571 17.165 16.177 1.00 0.00 ATOM 412 CG ASN 54 11.111 16.705 16.017 1.00 0.00 ATOM 413 ND2 ASN 54 10.617 16.970 14.861 1.00 0.00 ATOM 414 OD1 ASN 54 10.393 16.278 16.900 1.00 0.00 ATOM 415 O ASN 54 13.572 15.033 18.115 1.00 0.00 ATOM 416 C ASN 54 12.806 15.966 18.360 1.00 0.00 ATOM 417 N VAL 55 11.937 15.989 19.354 1.00 0.00 ATOM 418 CA VAL 55 11.481 14.760 20.025 1.00 0.00 ATOM 419 CB VAL 55 11.831 14.734 21.519 1.00 0.00 ATOM 420 CG1 VAL 55 11.286 13.514 22.251 1.00 0.00 ATOM 421 CG2 VAL 55 13.334 14.750 21.732 1.00 0.00 ATOM 422 O VAL 55 9.329 15.815 19.772 1.00 0.00 ATOM 423 C VAL 55 9.959 14.775 19.851 1.00 0.00 ATOM 424 N ARG 56 9.406 13.569 19.979 1.00 0.00 ATOM 425 CA ARG 56 7.964 13.399 20.073 1.00 0.00 ATOM 426 CB ARG 56 7.661 11.957 20.385 1.00 0.00 ATOM 427 CG ARG 56 6.158 11.848 20.544 1.00 0.00 ATOM 428 CD ARG 56 5.842 10.394 20.481 1.00 0.00 ATOM 429 NE ARG 56 4.410 10.223 20.573 1.00 0.00 ATOM 430 CZ ARG 56 3.778 9.106 20.255 1.00 0.00 ATOM 431 NH1 ARG 56 4.430 8.052 19.792 1.00 0.00 ATOM 432 NH2 ARG 56 2.486 9.010 20.474 1.00 0.00 ATOM 433 O ARG 56 7.718 14.103 22.358 1.00 0.00 ATOM 434 C ARG 56 7.417 14.309 21.178 1.00 0.00 ATOM 435 N GLY 57 6.611 15.274 20.760 1.00 0.00 ATOM 436 CA GLY 57 5.925 16.155 21.716 1.00 0.00 ATOM 437 O GLY 57 5.270 18.362 21.060 1.00 0.00 ATOM 438 C GLY 57 6.190 17.611 21.368 1.00 0.00 ATOM 439 N TYR 58 7.399 18.020 21.677 1.00 0.00 ATOM 440 CA TYR 58 7.815 19.362 21.276 1.00 0.00 ATOM 441 CB TYR 58 7.995 20.258 22.500 1.00 0.00 ATOM 442 CG TYR 58 6.793 20.304 23.424 1.00 0.00 ATOM 443 CD1 TYR 58 5.826 21.249 23.177 1.00 0.00 ATOM 444 CD2 TYR 58 6.709 19.455 24.503 1.00 0.00 ATOM 445 CE1 TYR 58 4.753 21.346 24.046 1.00 0.00 ATOM 446 CE2 TYR 58 5.632 19.540 25.365 1.00 0.00 ATOM 447 CZ TYR 58 4.663 20.502 25.146 1.00 0.00 ATOM 448 OH TYR 58 3.640 20.586 26.017 1.00 0.00 ATOM 449 O TYR 58 9.884 18.360 20.532 1.00 0.00 ATOM 450 C TYR 58 9.130 19.324 20.534 1.00 0.00 ATOM 451 N GLU 59 9.366 20.452 19.900 1.00 0.00 ATOM 452 CA GLU 59 10.686 20.720 19.348 1.00 0.00 ATOM 453 CB GLU 59 10.550 21.113 17.882 1.00 0.00 ATOM 454 CG GLU 59 9.955 19.968 17.054 1.00 0.00 ATOM 455 CD GLU 59 9.867 20.309 15.557 1.00 0.00 ATOM 456 OE1 GLU 59 10.439 21.337 15.138 1.00 0.00 ATOM 457 OE2 GLU 59 9.225 19.525 14.835 1.00 0.00 ATOM 458 O GLU 59 10.688 22.845 20.525 1.00 0.00 ATOM 459 C GLU 59 11.319 21.851 20.170 1.00 0.00 ATOM 460 N LEU 60 12.557 21.601 20.533 1.00 0.00 ATOM 461 CA LEU 60 13.365 22.571 21.254 1.00 0.00 ATOM 462 CB LEU 60 14.081 21.834 22.350 1.00 0.00 ATOM 463 CG LEU 60 14.937 22.746 23.178 1.00 0.00 ATOM 464 CD1 LEU 60 14.085 23.660 24.020 1.00 0.00 ATOM 465 CD2 LEU 60 15.617 21.827 24.115 1.00 0.00 ATOM 466 O LEU 60 15.208 22.358 19.733 1.00 0.00 ATOM 467 C LEU 60 14.445 23.098 20.320 1.00 0.00 ATOM 468 N SER 61 14.602 24.399 20.353 1.00 0.00 ATOM 469 CA SER 61 15.593 25.076 19.500 1.00 0.00 ATOM 470 CB SER 61 15.058 26.397 18.961 1.00 0.00 ATOM 471 OG SER 61 15.991 27.081 18.121 1.00 0.00 ATOM 472 O SER 61 16.705 25.809 21.523 1.00 0.00 ATOM 473 C SER 61 16.791 25.398 20.362 1.00 0.00 ATOM 474 N LEU 62 17.926 25.211 19.721 1.00 0.00 ATOM 475 CA LEU 62 19.190 25.555 20.360 1.00 0.00 ATOM 476 CB LEU 62 20.032 24.319 20.612 1.00 0.00 ATOM 477 CG LEU 62 19.332 23.363 21.574 1.00 0.00 ATOM 478 CD1 LEU 62 20.148 22.079 21.506 1.00 0.00 ATOM 479 CD2 LEU 62 19.268 23.884 23.011 1.00 0.00 ATOM 480 O LEU 62 20.086 26.295 18.257 1.00 0.00 ATOM 481 C LEU 62 19.935 26.514 19.459 1.00 0.00 ATOM 482 N ARG 63 20.238 27.655 20.044 1.00 0.00 ATOM 483 CA ARG 63 21.080 28.636 19.336 1.00 0.00 ATOM 484 CB ARG 63 21.240 29.922 20.133 1.00 0.00 ATOM 485 CG ARG 63 19.904 30.638 20.244 1.00 0.00 ATOM 486 CD ARG 63 20.057 31.945 20.996 1.00 0.00 ATOM 487 NE ARG 63 20.436 31.653 22.388 1.00 0.00 ATOM 488 CZ ARG 63 20.732 32.603 23.273 1.00 0.00 ATOM 489 NH1 ARG 63 21.058 32.253 24.502 1.00 0.00 ATOM 490 NH2 ARG 63 20.706 33.887 22.954 1.00 0.00 ATOM 491 O ARG 63 22.833 27.043 19.699 1.00 0.00 ATOM 492 C ARG 63 22.448 27.997 19.051 1.00 0.00 ATOM 493 N LYS 64 23.206 28.681 18.212 1.00 0.00 ATOM 494 CA LYS 64 24.597 28.347 17.828 1.00 0.00 ATOM 495 CB LYS 64 25.310 29.526 17.179 1.00 0.00 ATOM 496 CG LYS 64 24.385 30.648 16.700 1.00 0.00 ATOM 497 CD LYS 64 25.057 32.021 16.693 1.00 0.00 ATOM 498 CE LYS 64 26.275 32.111 15.775 1.00 0.00 ATOM 499 NZ LYS 64 26.760 33.494 15.802 1.00 0.00 ATOM 500 O LYS 64 26.062 27.010 19.217 1.00 0.00 ATOM 501 C LYS 64 25.446 28.050 19.061 1.00 0.00 ATOM 502 N SER 65 25.357 29.026 19.962 1.00 0.00 ATOM 503 CA SER 65 26.149 29.034 21.201 1.00 0.00 ATOM 504 CB SER 65 25.896 30.303 22.000 1.00 0.00 ATOM 505 OG SER 65 26.267 31.449 21.223 1.00 0.00 ATOM 506 O SER 65 26.591 26.993 22.389 1.00 0.00 ATOM 507 C SER 65 25.771 27.838 22.066 1.00 0.00 ATOM 508 N ALA 66 24.451 27.642 22.167 1.00 0.00 ATOM 509 CA ALA 66 23.877 26.489 22.870 1.00 0.00 ATOM 510 CB ALA 66 22.349 26.464 22.781 1.00 0.00 ATOM 511 O ALA 66 24.560 24.209 22.997 1.00 0.00 ATOM 512 C ALA 66 24.312 25.157 22.273 1.00 0.00 ATOM 513 N ALA 67 24.277 25.092 20.944 1.00 0.00 ATOM 514 CA ALA 67 24.544 23.836 20.244 1.00 0.00 ATOM 515 CB ALA 67 24.407 23.997 18.759 1.00 0.00 ATOM 516 O ALA 67 26.155 22.183 20.742 1.00 0.00 ATOM 517 C ALA 67 25.968 23.361 20.498 1.00 0.00 ATOM 518 N GLU 68 26.899 24.308 20.580 1.00 0.00 ATOM 519 CA GLU 68 28.288 23.973 20.926 1.00 0.00 ATOM 520 CB GLU 68 29.184 25.211 20.884 1.00 0.00 ATOM 521 CG GLU 68 29.441 25.706 19.465 1.00 0.00 ATOM 522 CD GLU 68 30.136 27.069 19.381 1.00 0.00 ATOM 523 OE1 GLU 68 30.750 27.291 18.318 1.00 0.00 ATOM 524 OE2 GLU 68 29.949 27.934 20.269 1.00 0.00 ATOM 525 O GLU 68 29.137 22.380 22.552 1.00 0.00 ATOM 526 C GLU 68 28.375 23.304 22.311 1.00 0.00 ATOM 527 N MET 69 27.461 23.739 23.166 1.00 0.00 ATOM 528 CA MET 69 27.366 23.343 24.564 1.00 0.00 ATOM 529 CB MET 69 26.474 24.420 25.187 1.00 0.00 ATOM 530 CG MET 69 27.211 25.777 25.252 1.00 0.00 ATOM 531 SD MET 69 26.602 26.988 26.471 1.00 0.00 ATOM 532 CE MET 69 25.096 27.586 25.742 1.00 0.00 ATOM 533 O MET 69 27.252 21.231 25.749 1.00 0.00 ATOM 534 C MET 69 26.911 21.880 24.760 1.00 0.00 ATOM 535 N ILE 70 26.162 21.370 23.789 1.00 0.00 ATOM 536 CA ILE 70 25.689 19.971 23.826 1.00 0.00 ATOM 537 CB ILE 70 24.223 19.832 23.379 1.00 0.00 ATOM 538 CG1 ILE 70 23.372 20.728 24.278 1.00 0.00 ATOM 539 CG2 ILE 70 23.730 18.370 23.447 1.00 0.00 ATOM 540 CD1 ILE 70 21.909 20.786 23.879 1.00 0.00 ATOM 541 O ILE 70 26.864 19.420 21.791 1.00 0.00 ATOM 542 C ILE 70 26.591 19.118 22.946 1.00 0.00 ATOM 543 N GLU 71 26.867 17.948 23.493 1.00 0.00 ATOM 544 CA GLU 71 27.606 16.914 22.761 1.00 0.00 ATOM 545 CB GLU 71 28.947 16.677 23.445 1.00 0.00 ATOM 546 CG GLU 71 29.766 17.970 23.398 1.00 0.00 ATOM 547 CD GLU 71 31.179 17.846 23.974 1.00 0.00 ATOM 548 OE1 GLU 71 31.590 18.812 24.626 1.00 0.00 ATOM 549 OE2 GLU 71 31.759 16.748 23.814 1.00 0.00 ATOM 550 O GLU 71 25.967 15.327 23.537 1.00 0.00 ATOM 551 C GLU 71 26.711 15.682 22.621 1.00 0.00 ATOM 552 N VAL 72 26.629 15.238 21.372 1.00 0.00 ATOM 553 CA VAL 72 25.684 14.187 20.958 1.00 0.00 ATOM 554 CB VAL 72 24.681 14.767 19.950 1.00 0.00 ATOM 555 CG1 VAL 72 23.757 13.720 19.351 1.00 0.00 ATOM 556 CG2 VAL 72 23.745 15.735 20.663 1.00 0.00 ATOM 557 O VAL 72 27.378 13.230 19.567 1.00 0.00 ATOM 558 C VAL 72 26.457 13.019 20.355 1.00 0.00 ATOM 559 N GLU 73 26.080 11.822 20.765 1.00 0.00 ATOM 560 CA GLU 73 26.628 10.646 20.082 1.00 0.00 ATOM 561 CB GLU 73 26.555 9.480 21.054 1.00 0.00 ATOM 562 CG GLU 73 27.522 8.336 20.756 1.00 0.00 ATOM 563 CD GLU 73 27.386 7.315 21.878 1.00 0.00 ATOM 564 OE1 GLU 73 26.360 6.577 21.865 1.00 0.00 ATOM 565 OE2 GLU 73 28.236 7.372 22.794 1.00 0.00 ATOM 566 O GLU 73 24.943 11.133 18.420 1.00 0.00 ATOM 567 C GLU 73 25.861 10.362 18.775 1.00 0.00 TER END