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 3 Sun Jul 13 16:23:30 2008 MODEL 3 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 29.670 12.620 20.446 1.00 0.00 ATOM 2 CA MET 1 30.673 12.550 19.371 1.00 0.00 ATOM 3 CB MET 1 30.438 11.310 18.510 1.00 0.00 ATOM 4 CG MET 1 30.608 9.990 19.248 1.00 0.00 ATOM 5 SD MET 1 32.248 9.807 19.978 1.00 0.00 ATOM 6 CE MET 1 33.254 9.630 18.509 1.00 0.00 ATOM 7 O MET 1 31.622 13.999 17.733 1.00 0.00 ATOM 8 C MET 1 30.678 13.791 18.478 1.00 0.00 ATOM 9 N PHE 2 29.497 14.390 18.331 1.00 0.00 ATOM 10 CA PHE 2 29.341 15.597 17.509 1.00 0.00 ATOM 11 CB PHE 2 28.391 15.365 16.341 1.00 0.00 ATOM 12 CG PHE 2 28.887 14.237 15.460 1.00 0.00 ATOM 13 CD1 PHE 2 29.869 14.512 14.520 1.00 0.00 ATOM 14 CD2 PHE 2 28.349 12.982 15.623 1.00 0.00 ATOM 15 CE1 PHE 2 30.304 13.478 13.718 1.00 0.00 ATOM 16 CE2 PHE 2 28.785 11.951 14.807 1.00 0.00 ATOM 17 CZ PHE 2 29.763 12.213 13.872 1.00 0.00 ATOM 18 O PHE 2 27.752 16.367 19.092 1.00 0.00 ATOM 19 C PHE 2 28.691 16.657 18.355 1.00 0.00 ATOM 20 N SER 3 29.180 17.872 18.211 1.00 0.00 ATOM 21 CA SER 3 28.414 19.010 18.740 1.00 0.00 ATOM 22 CB SER 3 29.292 20.245 18.804 1.00 0.00 ATOM 23 OG SER 3 29.650 20.704 17.530 1.00 0.00 ATOM 24 O SER 3 27.231 18.854 16.652 1.00 0.00 ATOM 25 C SER 3 27.209 19.204 17.839 1.00 0.00 ATOM 26 N LEU 4 26.174 19.821 18.387 1.00 0.00 ATOM 27 CA LEU 4 24.981 20.111 17.569 1.00 0.00 ATOM 28 CB LEU 4 23.912 20.809 18.420 1.00 0.00 ATOM 29 CG LEU 4 23.250 19.929 19.487 1.00 0.00 ATOM 30 CD1 LEU 4 22.348 20.775 20.376 1.00 0.00 ATOM 31 CD2 LEU 4 22.455 18.821 18.811 1.00 0.00 ATOM 32 O LEU 4 24.983 20.589 15.230 1.00 0.00 ATOM 33 C LEU 4 25.332 20.966 16.357 1.00 0.00 ATOM 34 N ARG 5 26.199 21.938 16.577 1.00 0.00 ATOM 35 CA ARG 5 26.688 22.846 15.519 1.00 0.00 ATOM 36 CB ARG 5 27.600 23.931 16.071 1.00 0.00 ATOM 37 CG ARG 5 28.106 24.927 15.038 1.00 0.00 ATOM 38 CD ARG 5 28.900 26.047 15.606 1.00 0.00 ATOM 39 NE ARG 5 29.433 26.969 14.616 1.00 0.00 ATOM 40 CZ ARG 5 30.219 28.026 14.901 1.00 0.00 ATOM 41 NH1 ARG 5 30.534 28.321 16.141 1.00 0.00 ATOM 42 NH2 ARG 5 30.646 28.774 13.897 1.00 0.00 ATOM 43 O ARG 5 27.293 22.457 13.183 1.00 0.00 ATOM 44 C ARG 5 27.378 22.097 14.359 1.00 0.00 ATOM 45 N ASP 6 28.131 21.068 14.685 1.00 0.00 ATOM 46 CA ASP 6 28.878 20.305 13.662 1.00 0.00 ATOM 47 CB ASP 6 29.851 19.327 14.326 1.00 0.00 ATOM 48 CG ASP 6 31.071 19.985 14.956 1.00 0.00 ATOM 49 OD1 ASP 6 31.301 21.141 14.693 1.00 0.00 ATOM 50 OD2 ASP 6 31.671 19.380 15.813 1.00 0.00 ATOM 51 O ASP 6 28.372 19.246 11.558 1.00 0.00 ATOM 52 C ASP 6 27.989 19.525 12.698 1.00 0.00 ATOM 53 N ALA 7 26.856 19.096 13.234 1.00 0.00 ATOM 54 CA ALA 7 25.942 18.215 12.509 1.00 0.00 ATOM 55 CB ALA 7 24.936 17.627 13.490 1.00 0.00 ATOM 56 O ALA 7 24.482 19.838 11.427 1.00 0.00 ATOM 57 C ALA 7 25.245 18.884 11.320 1.00 0.00 ATOM 58 N LYS 8 25.575 18.336 10.149 1.00 0.00 ATOM 59 CA LYS 8 24.858 18.707 8.918 1.00 0.00 ATOM 60 CB LYS 8 25.592 18.169 7.688 1.00 0.00 ATOM 61 CG LYS 8 26.953 18.805 7.440 1.00 0.00 ATOM 62 CD LYS 8 27.607 18.242 6.187 1.00 0.00 ATOM 63 CE LYS 8 28.955 18.897 5.924 1.00 0.00 ATOM 64 NZ LYS 8 29.595 18.375 4.686 1.00 0.00 ATOM 65 O LYS 8 23.138 17.390 9.941 1.00 0.00 ATOM 66 C LYS 8 23.439 18.159 9.013 1.00 0.00 ATOM 67 N CYS 9 22.594 18.463 8.050 1.00 0.00 ATOM 68 CA CYS 9 21.260 17.861 8.068 1.00 0.00 ATOM 69 CB CYS 9 20.389 18.589 7.068 1.00 0.00 ATOM 70 SG CYS 9 19.719 20.157 7.718 1.00 0.00 ATOM 71 O CYS 9 21.784 15.746 6.947 1.00 0.00 ATOM 72 C CYS 9 21.266 16.333 7.892 1.00 0.00 ATOM 73 N GLY 10 21.009 15.664 9.007 1.00 0.00 ATOM 74 CA GLY 10 21.114 14.203 9.015 1.00 0.00 ATOM 75 O GLY 10 18.983 14.002 10.137 1.00 0.00 ATOM 76 C GLY 10 20.115 13.559 9.958 1.00 0.00 ATOM 77 N GLN 11 20.604 12.437 10.432 1.00 0.00 ATOM 78 CA GLN 11 19.801 11.489 11.220 1.00 0.00 ATOM 79 CB GLN 11 20.449 10.103 11.215 1.00 0.00 ATOM 80 CG GLN 11 20.510 9.449 9.845 1.00 0.00 ATOM 81 CD GLN 11 21.161 8.080 9.885 1.00 0.00 ATOM 82 OE1 GLN 11 21.567 7.601 10.948 1.00 0.00 ATOM 83 NE2 GLN 11 21.268 7.442 8.724 1.00 0.00 ATOM 84 O GLN 11 20.141 12.991 13.087 1.00 0.00 ATOM 85 C GLN 11 19.615 11.953 12.672 1.00 0.00 ATOM 86 N THR 12 18.918 11.077 13.378 1.00 0.00 ATOM 87 CA THR 12 18.665 11.145 14.825 1.00 0.00 ATOM 88 CB THR 12 17.864 9.934 15.341 1.00 0.00 ATOM 89 CG2 THR 12 16.467 9.719 14.771 1.00 0.00 ATOM 90 OG1 THR 12 18.537 8.726 15.039 1.00 0.00 ATOM 91 O THR 12 21.004 10.617 15.027 1.00 0.00 ATOM 92 C THR 12 20.002 11.065 15.567 1.00 0.00 ATOM 93 N VAL 13 19.916 11.364 16.864 1.00 0.00 ATOM 94 CA VAL 13 21.081 11.276 17.761 1.00 0.00 ATOM 95 CB VAL 13 21.880 12.595 17.805 1.00 0.00 ATOM 96 CG1 VAL 13 22.482 12.971 16.453 1.00 0.00 ATOM 97 CG2 VAL 13 21.065 13.769 18.346 1.00 0.00 ATOM 98 O VAL 13 19.495 10.996 19.560 1.00 0.00 ATOM 99 C VAL 13 20.666 10.896 19.195 1.00 0.00 ATOM 100 N LYS 14 21.701 10.758 19.996 1.00 0.00 ATOM 101 CA LYS 14 21.559 10.638 21.450 1.00 0.00 ATOM 102 CB LYS 14 22.043 9.267 21.924 1.00 0.00 ATOM 103 CG LYS 14 21.201 8.097 21.432 1.00 0.00 ATOM 104 CD LYS 14 21.696 6.778 22.006 1.00 0.00 ATOM 105 CE LYS 14 20.883 5.605 21.481 1.00 0.00 ATOM 106 NZ LYS 14 21.344 4.309 22.049 1.00 0.00 ATOM 107 O LYS 14 23.528 11.969 21.869 1.00 0.00 ATOM 108 C LYS 14 22.343 11.766 22.098 1.00 0.00 ATOM 109 N VAL 15 21.659 12.440 23.014 1.00 0.00 ATOM 110 CA VAL 15 22.274 13.547 23.765 1.00 0.00 ATOM 111 CB VAL 15 21.214 14.390 24.498 1.00 0.00 ATOM 112 CG1 VAL 15 21.879 15.486 25.318 1.00 0.00 ATOM 113 CG2 VAL 15 20.231 14.993 23.505 1.00 0.00 ATOM 114 O VAL 15 22.894 12.250 25.683 1.00 0.00 ATOM 115 C VAL 15 23.280 12.982 24.766 1.00 0.00 ATOM 116 N VAL 16 24.543 13.357 24.559 1.00 0.00 ATOM 117 CA VAL 16 25.656 12.923 25.433 1.00 0.00 ATOM 118 CB VAL 16 27.030 12.819 24.732 1.00 0.00 ATOM 119 CG1 VAL 16 28.128 12.374 25.710 1.00 0.00 ATOM 120 CG2 VAL 16 27.018 11.809 23.593 1.00 0.00 ATOM 121 O VAL 16 25.764 13.489 27.762 1.00 0.00 ATOM 122 C VAL 16 25.773 13.901 26.593 1.00 0.00 ATOM 123 N LYS 17 26.021 15.159 26.278 1.00 0.00 ATOM 124 CA LYS 17 26.276 16.134 27.352 1.00 0.00 ATOM 125 CB LYS 17 27.766 16.176 27.695 1.00 0.00 ATOM 126 CG LYS 17 28.658 16.666 26.563 1.00 0.00 ATOM 127 CD LYS 17 30.121 16.689 26.982 1.00 0.00 ATOM 128 CE LYS 17 30.673 15.280 27.143 1.00 0.00 ATOM 129 NZ LYS 17 32.124 15.286 27.474 1.00 0.00 ATOM 130 O LYS 17 25.754 17.885 25.797 1.00 0.00 ATOM 131 C LYS 17 25.793 17.530 26.972 1.00 0.00 ATOM 132 N LEU 18 25.460 18.247 28.023 1.00 0.00 ATOM 133 CA LEU 18 25.039 19.644 27.957 1.00 0.00 ATOM 134 CB LEU 18 23.571 19.775 28.383 1.00 0.00 ATOM 135 CG LEU 18 23.244 19.224 29.778 1.00 0.00 ATOM 136 CD1 LEU 18 23.683 20.216 30.847 1.00 0.00 ATOM 137 CD2 LEU 18 21.752 18.947 29.878 1.00 0.00 ATOM 138 O LEU 18 26.484 19.985 29.850 1.00 0.00 ATOM 139 C LEU 18 25.953 20.488 28.841 1.00 0.00 ATOM 140 N HIS 19 26.029 21.754 28.511 1.00 0.00 ATOM 141 CA HIS 19 26.685 22.779 29.328 1.00 0.00 ATOM 142 CB HIS 19 28.049 23.150 28.738 1.00 0.00 ATOM 143 CG HIS 19 29.018 22.009 28.699 1.00 0.00 ATOM 144 CD2 HIS 19 29.418 21.213 27.680 1.00 0.00 ATOM 145 ND1 HIS 19 29.703 21.576 29.815 1.00 0.00 ATOM 146 CE1 HIS 19 30.482 20.562 29.483 1.00 0.00 ATOM 147 NE2 HIS 19 30.327 20.322 28.194 1.00 0.00 ATOM 148 O HIS 19 24.814 24.125 28.626 1.00 0.00 ATOM 149 C HIS 19 25.760 23.992 29.409 1.00 0.00 ATOM 150 N GLY 20 25.981 24.779 30.453 1.00 0.00 ATOM 151 CA GLY 20 25.233 26.016 30.685 1.00 0.00 ATOM 152 O GLY 20 23.389 24.536 31.282 1.00 0.00 ATOM 153 C GLY 20 23.818 25.676 31.142 1.00 0.00 ATOM 154 N THR 21 23.188 26.743 31.608 1.00 0.00 ATOM 155 CA THR 21 21.874 26.630 32.258 1.00 0.00 ATOM 156 CB THR 21 22.012 26.929 33.747 1.00 0.00 ATOM 157 CG2 THR 21 22.959 25.938 34.428 1.00 0.00 ATOM 158 OG1 THR 21 22.399 28.303 33.850 1.00 0.00 ATOM 159 O THR 21 20.831 27.733 30.396 1.00 0.00 ATOM 160 C THR 21 20.874 27.587 31.610 1.00 0.00 ATOM 161 N GLY 22 20.024 28.153 32.454 1.00 0.00 ATOM 162 CA GLY 22 19.103 29.226 32.106 1.00 0.00 ATOM 163 O GLY 22 17.514 27.425 31.879 1.00 0.00 ATOM 164 C GLY 22 17.769 28.625 31.734 1.00 0.00 ATOM 165 N ALA 23 16.948 29.457 31.109 1.00 0.00 ATOM 166 CA ALA 23 15.643 29.009 30.645 1.00 0.00 ATOM 167 CB ALA 23 14.879 30.143 30.057 1.00 0.00 ATOM 168 O ALA 23 14.952 27.070 29.477 1.00 0.00 ATOM 169 C ALA 23 15.776 27.980 29.532 1.00 0.00 ATOM 170 N LEU 24 16.852 28.085 28.768 1.00 0.00 ATOM 171 CA LEU 24 17.133 27.105 27.722 1.00 0.00 ATOM 172 CB LEU 24 18.424 27.476 26.982 1.00 0.00 ATOM 173 CG LEU 24 18.334 28.725 26.097 1.00 0.00 ATOM 174 CD1 LEU 24 19.714 29.091 25.569 1.00 0.00 ATOM 175 CD2 LEU 24 17.368 28.466 24.949 1.00 0.00 ATOM 176 O LEU 24 16.480 24.828 27.948 1.00 0.00 ATOM 177 C LEU 24 17.230 25.709 28.340 1.00 0.00 ATOM 178 N LYS 25 17.944 25.645 29.462 1.00 0.00 ATOM 179 CA LYS 25 18.076 24.398 30.217 1.00 0.00 ATOM 180 CB LYS 25 19.056 24.576 31.378 1.00 0.00 ATOM 181 CG LYS 25 19.298 23.314 32.195 1.00 0.00 ATOM 182 CD LYS 25 20.343 23.547 33.276 1.00 0.00 ATOM 183 CE LYS 25 20.570 22.293 34.107 1.00 0.00 ATOM 184 NZ LYS 25 21.580 22.510 35.178 1.00 0.00 ATOM 185 O LYS 25 16.438 22.727 30.653 1.00 0.00 ATOM 186 C LYS 25 16.721 23.918 30.745 1.00 0.00 ATOM 187 N ARG 26 15.883 24.843 31.188 1.00 0.00 ATOM 188 CA ARG 26 14.553 24.501 31.707 1.00 0.00 ATOM 189 CB ARG 26 13.867 25.691 32.361 1.00 0.00 ATOM 190 CG ARG 26 14.469 26.129 33.685 1.00 0.00 ATOM 191 CD ARG 26 13.827 27.326 34.285 1.00 0.00 ATOM 192 NE ARG 26 14.422 27.767 35.537 1.00 0.00 ATOM 193 CZ ARG 26 14.036 28.859 36.225 1.00 0.00 ATOM 194 NH1 ARG 26 13.084 29.645 35.770 1.00 0.00 ATOM 195 NH2 ARG 26 14.656 29.134 37.359 1.00 0.00 ATOM 196 O ARG 26 13.138 22.798 30.796 1.00 0.00 ATOM 197 C ARG 26 13.695 23.882 30.609 1.00 0.00 ATOM 198 N ARG 27 13.713 24.521 29.447 1.00 0.00 ATOM 199 CA ARG 27 12.996 24.005 28.275 1.00 0.00 ATOM 200 CB ARG 27 13.004 24.992 27.117 1.00 0.00 ATOM 201 CG ARG 27 12.141 26.227 27.322 1.00 0.00 ATOM 202 CD ARG 27 12.213 27.215 26.216 1.00 0.00 ATOM 203 NE ARG 27 11.407 28.407 26.420 1.00 0.00 ATOM 204 CZ ARG 27 11.378 29.464 25.584 1.00 0.00 ATOM 205 NH1 ARG 27 12.134 29.499 24.509 1.00 0.00 ATOM 206 NH2 ARG 27 10.587 30.478 25.886 1.00 0.00 ATOM 207 O ARG 27 12.794 21.730 27.546 1.00 0.00 ATOM 208 C ARG 27 13.552 22.637 27.864 1.00 0.00 ATOM 209 N ILE 28 14.877 22.506 27.934 1.00 0.00 ATOM 210 CA ILE 28 15.569 21.244 27.608 1.00 0.00 ATOM 211 CB ILE 28 17.099 21.404 27.680 1.00 0.00 ATOM 212 CG1 ILE 28 17.604 22.235 26.498 1.00 0.00 ATOM 213 CG2 ILE 28 17.774 20.042 27.705 1.00 0.00 ATOM 214 CD1 ILE 28 19.047 22.667 26.628 1.00 0.00 ATOM 215 O ILE 28 14.695 19.071 28.107 1.00 0.00 ATOM 216 C ILE 28 15.120 20.131 28.565 1.00 0.00 ATOM 217 N MET 29 15.082 20.469 29.857 1.00 0.00 ATOM 218 CA MET 29 14.640 19.536 30.906 1.00 0.00 ATOM 219 CB MET 29 14.772 20.187 32.281 1.00 0.00 ATOM 220 CG MET 29 16.207 20.403 32.740 1.00 0.00 ATOM 221 SD MET 29 16.309 21.287 34.309 1.00 0.00 ATOM 222 CE MET 29 15.645 20.061 35.433 1.00 0.00 ATOM 223 O MET 29 12.986 17.915 30.428 1.00 0.00 ATOM 224 C MET 29 13.198 19.091 30.658 1.00 0.00 ATOM 225 N ASP 30 12.340 20.074 30.398 1.00 0.00 ATOM 226 CA ASP 30 10.900 19.833 30.152 1.00 0.00 ATOM 227 CB ASP 30 10.145 21.160 30.043 1.00 0.00 ATOM 228 CG ASP 30 9.964 21.891 31.367 1.00 0.00 ATOM 229 OD1 ASP 30 10.200 21.294 32.390 1.00 0.00 ATOM 230 OD2 ASP 30 9.745 23.079 31.341 1.00 0.00 ATOM 231 O ASP 30 9.767 18.148 28.877 1.00 0.00 ATOM 232 C ASP 30 10.631 19.011 28.904 1.00 0.00 ATOM 233 N MET 31 11.449 19.283 27.905 1.00 0.00 ATOM 234 CA MET 31 11.385 18.555 26.635 1.00 0.00 ATOM 235 CB MET 31 12.224 19.266 25.576 1.00 0.00 ATOM 236 CG MET 31 11.611 20.557 25.049 1.00 0.00 ATOM 237 SD MET 31 10.002 20.297 24.277 1.00 0.00 ATOM 238 CE MET 31 8.907 20.766 25.612 1.00 0.00 ATOM 239 O MET 31 11.588 16.278 25.899 1.00 0.00 ATOM 240 C MET 31 11.851 17.108 26.774 1.00 0.00 ATOM 241 N GLY 32 12.617 16.879 27.832 1.00 0.00 ATOM 242 CA GLY 32 13.251 15.598 28.140 1.00 0.00 ATOM 243 O GLY 32 14.973 14.235 27.109 1.00 0.00 ATOM 244 C GLY 32 14.501 15.348 27.297 1.00 0.00 ATOM 245 N ILE 33 15.133 16.463 26.956 1.00 0.00 ATOM 246 CA ILE 33 16.414 16.390 26.263 1.00 0.00 ATOM 247 CB ILE 33 16.517 17.518 25.225 1.00 0.00 ATOM 248 CG1 ILE 33 15.313 17.481 24.295 1.00 0.00 ATOM 249 CG2 ILE 33 17.798 17.350 24.399 1.00 0.00 ATOM 250 CD1 ILE 33 15.088 18.913 23.843 1.00 0.00 ATOM 251 O ILE 33 17.985 17.379 27.865 1.00 0.00 ATOM 252 C ILE 33 17.494 16.378 27.364 1.00 0.00 ATOM 253 N THR 34 17.713 15.180 27.874 1.00 0.00 ATOM 254 CA THR 34 18.695 14.969 28.947 1.00 0.00 ATOM 255 CB THR 34 18.028 14.434 30.227 1.00 0.00 ATOM 256 CG2 THR 34 16.921 15.372 30.684 1.00 0.00 ATOM 257 OG1 THR 34 17.474 13.136 29.974 1.00 0.00 ATOM 258 O THR 34 19.608 13.395 27.358 1.00 0.00 ATOM 259 C THR 34 19.745 13.989 28.426 1.00 0.00 ATOM 260 N ARG 35 20.775 13.794 29.238 1.00 0.00 ATOM 261 CA ARG 35 21.785 12.761 28.951 1.00 0.00 ATOM 262 CB ARG 35 22.831 12.660 30.051 1.00 0.00 ATOM 263 CG ARG 35 23.919 11.626 29.806 1.00 0.00 ATOM 264 CD ARG 35 24.981 11.596 30.844 1.00 0.00 ATOM 265 NE ARG 35 24.520 11.209 32.167 1.00 0.00 ATOM 266 CZ ARG 35 24.382 9.936 32.586 1.00 0.00 ATOM 267 NH1 ARG 35 24.629 8.927 31.781 1.00 0.00 ATOM 268 NH2 ARG 35 23.965 9.728 33.823 1.00 0.00 ATOM 269 O ARG 35 20.170 11.044 29.386 1.00 0.00 ATOM 270 C ARG 35 21.107 11.424 28.680 1.00 0.00 ATOM 271 N GLY 36 21.547 10.803 27.595 1.00 0.00 ATOM 272 CA GLY 36 21.021 9.511 27.168 1.00 0.00 ATOM 273 O GLY 36 19.194 8.554 25.954 1.00 0.00 ATOM 274 C GLY 36 19.673 9.575 26.436 1.00 0.00 ATOM 275 N CYS 37 19.110 10.767 26.288 1.00 0.00 ATOM 276 CA CYS 37 17.842 10.934 25.544 1.00 0.00 ATOM 277 CB CYS 37 17.206 12.299 25.748 1.00 0.00 ATOM 278 SG CYS 37 15.563 12.305 24.954 1.00 0.00 ATOM 279 O CYS 37 19.109 11.259 23.535 1.00 0.00 ATOM 280 C CYS 37 18.111 10.760 24.057 1.00 0.00 ATOM 281 N GLU 38 17.105 10.224 23.384 1.00 0.00 ATOM 282 CA GLU 38 17.176 10.075 21.927 1.00 0.00 ATOM 283 CB GLU 38 16.719 8.676 21.509 1.00 0.00 ATOM 284 CG GLU 38 16.761 8.423 20.008 1.00 0.00 ATOM 285 CD GLU 38 16.287 7.036 19.675 1.00 0.00 ATOM 286 OE1 GLU 38 15.941 6.313 20.578 1.00 0.00 ATOM 287 OE2 GLU 38 16.164 6.735 18.511 1.00 0.00 ATOM 288 O GLU 38 15.177 11.452 21.742 1.00 0.00 ATOM 289 C GLU 38 16.301 11.181 21.343 1.00 0.00 ATOM 290 N ILE 39 16.965 11.951 20.507 1.00 0.00 ATOM 291 CA ILE 39 16.373 13.154 19.913 1.00 0.00 ATOM 292 CB ILE 39 16.979 14.437 20.513 1.00 0.00 ATOM 293 CG1 ILE 39 18.457 14.557 20.135 1.00 0.00 ATOM 294 CG2 ILE 39 16.810 14.447 22.025 1.00 0.00 ATOM 295 CD1 ILE 39 19.077 15.885 20.507 1.00 0.00 ATOM 296 O ILE 39 17.577 12.548 17.914 1.00 0.00 ATOM 297 C ILE 39 16.594 13.119 18.398 1.00 0.00 ATOM 298 N TYR 40 15.781 13.879 17.710 1.00 0.00 ATOM 299 CA TYR 40 16.041 14.108 16.290 1.00 0.00 ATOM 300 CB TYR 40 14.786 13.821 15.463 1.00 0.00 ATOM 301 CG TYR 40 14.965 14.049 13.979 1.00 0.00 ATOM 302 CD1 TYR 40 15.647 13.131 13.194 1.00 0.00 ATOM 303 CD2 TYR 40 14.450 15.181 13.366 1.00 0.00 ATOM 304 CE1 TYR 40 15.814 13.334 11.837 1.00 0.00 ATOM 305 CE2 TYR 40 14.610 15.395 12.011 1.00 0.00 ATOM 306 CZ TYR 40 15.293 14.468 11.250 1.00 0.00 ATOM 307 OH TYR 40 15.454 14.675 9.899 1.00 0.00 ATOM 308 O TYR 40 15.844 16.484 16.569 1.00 0.00 ATOM 309 C TYR 40 16.510 15.552 16.138 1.00 0.00 ATOM 310 N ILE 41 17.687 15.671 15.561 1.00 0.00 ATOM 311 CA ILE 41 18.244 17.010 15.322 1.00 0.00 ATOM 312 CB ILE 41 19.617 17.179 15.996 1.00 0.00 ATOM 313 CG1 ILE 41 20.623 16.181 15.418 1.00 0.00 ATOM 314 CG2 ILE 41 19.496 17.006 17.502 1.00 0.00 ATOM 315 CD1 ILE 41 22.049 16.427 15.856 1.00 0.00 ATOM 316 O ILE 41 18.720 16.399 13.037 1.00 0.00 ATOM 317 C ILE 41 18.375 17.273 13.822 1.00 0.00 ATOM 318 N ARG 42 17.939 18.468 13.465 1.00 0.00 ATOM 319 CA ARG 42 18.157 18.950 12.105 1.00 0.00 ATOM 320 CB ARG 42 16.867 18.997 11.299 1.00 0.00 ATOM 321 CG ARG 42 17.037 19.393 9.841 1.00 0.00 ATOM 322 CD ARG 42 15.775 19.409 9.059 1.00 0.00 ATOM 323 NE ARG 42 15.226 18.092 8.774 1.00 0.00 ATOM 324 CZ ARG 42 13.983 17.866 8.307 1.00 0.00 ATOM 325 NH1 ARG 42 13.144 18.858 8.107 1.00 0.00 ATOM 326 NH2 ARG 42 13.620 16.616 8.078 1.00 0.00 ATOM 327 O ARG 42 18.621 21.155 12.950 1.00 0.00 ATOM 328 C ARG 42 18.862 20.299 12.106 1.00 0.00 ATOM 329 N LYS 43 19.667 20.508 11.072 1.00 0.00 ATOM 330 CA LYS 43 20.266 21.825 10.852 1.00 0.00 ATOM 331 CB LYS 43 21.296 21.764 9.723 1.00 0.00 ATOM 332 CG LYS 43 22.359 22.853 9.783 1.00 0.00 ATOM 333 CD LYS 43 22.931 23.144 8.403 1.00 0.00 ATOM 334 CE LYS 43 23.786 21.989 7.903 1.00 0.00 ATOM 335 NZ LYS 43 24.410 22.288 6.585 1.00 0.00 ATOM 336 O LYS 43 18.252 22.514 9.703 1.00 0.00 ATOM 337 C LYS 43 19.105 22.768 10.546 1.00 0.00 ATOM 338 N VAL 44 19.138 23.848 11.310 1.00 0.00 ATOM 339 CA VAL 44 18.185 24.933 11.078 1.00 0.00 ATOM 340 CB VAL 44 18.189 25.976 12.194 1.00 0.00 ATOM 341 CG1 VAL 44 17.112 27.013 11.938 1.00 0.00 ATOM 342 CG2 VAL 44 17.815 25.360 13.528 1.00 0.00 ATOM 343 O VAL 44 19.608 26.174 9.593 1.00 0.00 ATOM 344 C VAL 44 18.556 25.561 9.731 1.00 0.00 ATOM 345 N ALA 45 17.736 25.281 8.734 1.00 0.00 ATOM 346 CA ALA 45 17.949 25.885 7.403 1.00 0.00 ATOM 347 CB ALA 45 16.862 25.482 6.405 1.00 0.00 ATOM 348 O ALA 45 19.173 27.916 7.307 1.00 0.00 ATOM 349 C ALA 45 18.102 27.401 7.592 1.00 0.00 ATOM 350 N PRO 46 17.088 28.143 8.135 1.00 0.00 ATOM 351 CA PRO 46 17.211 29.579 8.358 1.00 0.00 ATOM 352 CB PRO 46 15.838 30.021 8.891 1.00 0.00 ATOM 353 CG PRO 46 15.291 28.790 9.591 1.00 0.00 ATOM 354 CD PRO 46 15.857 27.672 8.730 1.00 0.00 ATOM 355 O PRO 46 18.537 28.830 10.207 1.00 0.00 ATOM 356 C PRO 46 18.326 29.721 9.374 1.00 0.00 ATOM 357 N LEU 47 19.099 30.778 9.210 1.00 0.00 ATOM 358 CA LEU 47 20.318 31.003 10.002 1.00 0.00 ATOM 359 CB LEU 47 20.012 30.857 11.498 1.00 0.00 ATOM 360 CG LEU 47 19.005 31.869 12.060 1.00 0.00 ATOM 361 CD1 LEU 47 18.706 31.552 13.519 1.00 0.00 ATOM 362 CD2 LEU 47 19.564 33.277 11.917 1.00 0.00 ATOM 363 O LEU 47 22.245 30.326 8.729 1.00 0.00 ATOM 364 C LEU 47 21.381 30.007 9.537 1.00 0.00 ATOM 365 N GLY 48 21.263 28.776 10.015 1.00 0.00 ATOM 366 CA GLY 48 22.158 27.684 9.595 1.00 0.00 ATOM 367 O GLY 48 23.156 26.125 11.088 1.00 0.00 ATOM 368 C GLY 48 23.048 27.308 10.762 1.00 0.00 ATOM 369 N ASP 49 23.523 28.333 11.468 1.00 0.00 ATOM 370 CA ASP 49 24.317 28.098 12.685 1.00 0.00 ATOM 371 CB ASP 49 24.817 29.424 13.263 1.00 0.00 ATOM 372 CG ASP 49 25.834 30.148 12.391 1.00 0.00 ATOM 373 OD1 ASP 49 25.481 30.546 11.307 1.00 0.00 ATOM 374 OD2 ASP 49 26.904 30.434 12.873 1.00 0.00 ATOM 375 O ASP 49 23.994 26.406 14.355 1.00 0.00 ATOM 376 C ASP 49 23.493 27.336 13.730 1.00 0.00 ATOM 377 N PRO 50 22.244 27.751 13.969 1.00 0.00 ATOM 378 CA PRO 50 21.407 26.987 14.869 1.00 0.00 ATOM 379 CB PRO 50 20.234 27.882 15.202 1.00 0.00 ATOM 380 CG PRO 50 20.241 29.031 14.227 1.00 0.00 ATOM 381 CD PRO 50 21.711 29.118 13.855 1.00 0.00 ATOM 382 O PRO 50 21.042 25.188 13.262 1.00 0.00 ATOM 383 C PRO 50 21.025 25.576 14.428 1.00 0.00 ATOM 384 N ILE 51 20.692 24.838 15.483 1.00 0.00 ATOM 385 CA ILE 51 20.195 23.459 15.379 1.00 0.00 ATOM 386 CB ILE 51 21.134 22.465 16.087 1.00 0.00 ATOM 387 CG1 ILE 51 22.548 22.562 15.507 1.00 0.00 ATOM 388 CG2 ILE 51 20.600 21.046 15.961 1.00 0.00 ATOM 389 CD1 ILE 51 22.635 22.191 14.044 1.00 0.00 ATOM 390 O ILE 51 18.528 24.016 16.998 1.00 0.00 ATOM 391 C ILE 51 18.804 23.392 15.982 1.00 0.00 ATOM 392 N GLN 52 17.991 22.600 15.308 1.00 0.00 ATOM 393 CA GLN 52 16.635 22.371 15.797 1.00 0.00 ATOM 394 CB GLN 52 15.631 22.433 14.642 1.00 0.00 ATOM 395 CG GLN 52 14.183 22.249 15.064 1.00 0.00 ATOM 396 CD GLN 52 13.222 22.352 13.896 1.00 0.00 ATOM 397 OE1 GLN 52 12.952 23.446 13.392 1.00 0.00 ATOM 398 NE2 GLN 52 12.697 21.213 13.460 1.00 0.00 ATOM 399 O GLN 52 17.072 19.985 15.997 1.00 0.00 ATOM 400 C GLN 52 16.578 21.006 16.498 1.00 0.00 ATOM 401 N ILE 53 15.899 21.027 17.625 1.00 0.00 ATOM 402 CA ILE 53 15.603 19.806 18.390 1.00 0.00 ATOM 403 CB ILE 53 15.815 20.020 19.900 1.00 0.00 ATOM 404 CG1 ILE 53 17.181 20.662 20.162 1.00 0.00 ATOM 405 CG2 ILE 53 15.690 18.701 20.647 1.00 0.00 ATOM 406 CD1 ILE 53 18.347 19.838 19.665 1.00 0.00 ATOM 407 O ILE 53 13.219 20.146 18.453 1.00 0.00 ATOM 408 C ILE 53 14.160 19.437 18.070 1.00 0.00 ATOM 409 N ASN 54 14.028 18.209 17.611 1.00 0.00 ATOM 410 CA ASN 54 12.707 17.651 17.328 1.00 0.00 ATOM 411 CB ASN 54 12.576 17.250 15.870 1.00 0.00 ATOM 412 CG ASN 54 11.204 16.758 15.499 1.00 0.00 ATOM 413 ND2 ASN 54 10.932 16.757 14.219 1.00 0.00 ATOM 414 OD1 ASN 54 10.430 16.313 16.354 1.00 0.00 ATOM 415 O ASN 54 13.154 15.446 18.189 1.00 0.00 ATOM 416 C ASN 54 12.475 16.477 18.257 1.00 0.00 ATOM 417 N VAL 55 11.567 16.758 19.153 1.00 0.00 ATOM 418 CA VAL 55 10.953 15.719 19.978 1.00 0.00 ATOM 419 CB VAL 55 11.361 15.857 21.456 1.00 0.00 ATOM 420 CG1 VAL 55 12.863 15.679 21.613 1.00 0.00 ATOM 421 CG2 VAL 55 10.925 17.207 22.006 1.00 0.00 ATOM 422 O VAL 55 9.035 17.085 19.507 1.00 0.00 ATOM 423 C VAL 55 9.474 15.960 19.711 1.00 0.00 ATOM 424 N ARG 56 8.753 14.856 19.748 1.00 0.00 ATOM 425 CA ARG 56 7.299 14.980 19.590 1.00 0.00 ATOM 426 CB ARG 56 6.604 13.626 19.589 1.00 0.00 ATOM 427 CG ARG 56 5.102 13.678 19.359 1.00 0.00 ATOM 428 CD ARG 56 4.452 12.347 19.261 1.00 0.00 ATOM 429 NE ARG 56 3.018 12.393 19.024 1.00 0.00 ATOM 430 CZ ARG 56 2.216 11.311 18.969 1.00 0.00 ATOM 431 NH1 ARG 56 2.706 10.098 19.093 1.00 0.00 ATOM 432 NH2 ARG 56 0.925 11.501 18.761 1.00 0.00 ATOM 433 O ARG 56 6.797 15.703 21.858 1.00 0.00 ATOM 434 C ARG 56 6.685 15.920 20.653 1.00 0.00 ATOM 435 N GLY 57 6.350 17.112 20.136 1.00 0.00 ATOM 436 CA GLY 57 5.809 18.231 20.912 1.00 0.00 ATOM 437 O GLY 57 7.650 19.215 22.124 1.00 0.00 ATOM 438 C GLY 57 6.826 19.333 21.230 1.00 0.00 ATOM 439 N TYR 58 6.580 20.461 20.569 1.00 0.00 ATOM 440 CA TYR 58 7.378 21.700 20.713 1.00 0.00 ATOM 441 CB TYR 58 7.199 22.293 22.112 1.00 0.00 ATOM 442 CG TYR 58 7.941 23.593 22.326 1.00 0.00 ATOM 443 CD1 TYR 58 7.453 24.785 21.814 1.00 0.00 ATOM 444 CD2 TYR 58 9.128 23.624 23.043 1.00 0.00 ATOM 445 CE1 TYR 58 8.126 25.976 22.006 1.00 0.00 ATOM 446 CE2 TYR 58 9.811 24.809 23.243 1.00 0.00 ATOM 447 CZ TYR 58 9.306 25.983 22.722 1.00 0.00 ATOM 448 OH TYR 58 9.982 27.165 22.919 1.00 0.00 ATOM 449 O TYR 58 9.610 20.958 21.273 1.00 0.00 ATOM 450 C TYR 58 8.854 21.472 20.448 1.00 0.00 ATOM 451 N GLU 59 9.258 21.891 19.266 1.00 0.00 ATOM 452 CA GLU 59 10.686 21.840 18.931 1.00 0.00 ATOM 453 CB GLU 59 10.890 22.024 17.426 1.00 0.00 ATOM 454 CG GLU 59 10.310 20.907 16.571 1.00 0.00 ATOM 455 CD GLU 59 8.853 21.140 16.281 1.00 0.00 ATOM 456 OE1 GLU 59 8.321 22.112 16.757 1.00 0.00 ATOM 457 OE2 GLU 59 8.301 20.409 15.492 1.00 0.00 ATOM 458 O GLU 59 10.851 23.975 20.043 1.00 0.00 ATOM 459 C GLU 59 11.401 22.920 19.733 1.00 0.00 ATOM 460 N LEU 60 12.614 22.579 20.125 1.00 0.00 ATOM 461 CA LEU 60 13.467 23.540 20.825 1.00 0.00 ATOM 462 CB LEU 60 13.892 22.966 22.175 1.00 0.00 ATOM 463 CG LEU 60 14.803 23.896 22.988 1.00 0.00 ATOM 464 CD1 LEU 60 14.055 25.152 23.425 1.00 0.00 ATOM 465 CD2 LEU 60 15.198 23.185 24.260 1.00 0.00 ATOM 466 O LEU 60 15.365 22.926 19.504 1.00 0.00 ATOM 467 C LEU 60 14.652 23.822 19.926 1.00 0.00 ATOM 468 N SER 61 14.827 25.080 19.593 1.00 0.00 ATOM 469 CA SER 61 15.904 25.465 18.694 1.00 0.00 ATOM 470 CB SER 61 15.399 26.468 17.674 1.00 0.00 ATOM 471 OG SER 61 16.428 26.949 16.854 1.00 0.00 ATOM 472 O SER 61 16.829 26.708 20.538 1.00 0.00 ATOM 473 C SER 61 17.046 26.030 19.538 1.00 0.00 ATOM 474 N LEU 62 18.262 25.664 19.191 1.00 0.00 ATOM 475 CA LEU 62 19.419 26.118 19.958 1.00 0.00 ATOM 476 CB LEU 62 20.168 24.917 20.548 1.00 0.00 ATOM 477 CG LEU 62 19.436 24.180 21.677 1.00 0.00 ATOM 478 CD1 LEU 62 20.221 22.942 22.088 1.00 0.00 ATOM 479 CD2 LEU 62 19.250 25.120 22.859 1.00 0.00 ATOM 480 O LEU 62 20.638 26.544 17.950 1.00 0.00 ATOM 481 C LEU 62 20.317 26.944 19.065 1.00 0.00 ATOM 482 N ARG 63 20.695 28.108 19.576 1.00 0.00 ATOM 483 CA ARG 63 21.621 28.981 18.838 1.00 0.00 ATOM 484 CB ARG 63 21.801 30.330 19.517 1.00 0.00 ATOM 485 CG ARG 63 20.572 31.226 19.498 1.00 0.00 ATOM 486 CD ARG 63 20.734 32.504 20.238 1.00 0.00 ATOM 487 NE ARG 63 20.903 32.351 21.674 1.00 0.00 ATOM 488 CZ ARG 63 21.282 33.339 22.509 1.00 0.00 ATOM 489 NH1 ARG 63 21.567 34.539 22.054 1.00 0.00 ATOM 490 NH2 ARG 63 21.382 33.062 23.797 1.00 0.00 ATOM 491 O ARG 63 23.175 27.254 19.452 1.00 0.00 ATOM 492 C ARG 63 22.912 28.172 18.672 1.00 0.00 ATOM 493 N LYS 64 23.718 28.543 17.697 1.00 0.00 ATOM 494 CA LYS 64 25.016 27.875 17.471 1.00 0.00 ATOM 495 CB LYS 64 25.834 28.539 16.364 1.00 0.00 ATOM 496 CG LYS 64 26.384 29.949 16.641 1.00 0.00 ATOM 497 CD LYS 64 25.264 30.979 16.786 1.00 0.00 ATOM 498 CE LYS 64 25.757 32.362 17.177 1.00 0.00 ATOM 499 NZ LYS 64 26.311 32.973 15.981 1.00 0.00 ATOM 500 O LYS 64 26.505 26.813 19.026 1.00 0.00 ATOM 501 C LYS 64 25.894 27.832 18.728 1.00 0.00 ATOM 502 N SER 65 25.835 28.907 19.529 1.00 0.00 ATOM 503 CA SER 65 26.636 28.969 20.773 1.00 0.00 ATOM 504 CB SER 65 26.514 30.342 21.405 1.00 0.00 ATOM 505 OG SER 65 27.092 31.340 20.610 1.00 0.00 ATOM 506 O SER 65 27.004 27.109 22.220 1.00 0.00 ATOM 507 C SER 65 26.191 27.889 21.736 1.00 0.00 ATOM 508 N ALA 66 24.868 27.768 21.836 1.00 0.00 ATOM 509 CA ALA 66 24.253 26.709 22.650 1.00 0.00 ATOM 510 CB ALA 66 22.744 26.928 22.774 1.00 0.00 ATOM 511 O ALA 66 24.905 24.411 22.821 1.00 0.00 ATOM 512 C ALA 66 24.537 25.319 22.077 1.00 0.00 ATOM 513 N ALA 67 24.550 25.235 20.751 1.00 0.00 ATOM 514 CA ALA 67 24.794 23.975 20.026 1.00 0.00 ATOM 515 CB ALA 67 24.686 24.265 18.525 1.00 0.00 ATOM 516 O ALA 67 26.295 22.176 20.523 1.00 0.00 ATOM 517 C ALA 67 26.167 23.390 20.353 1.00 0.00 ATOM 518 N GLU 68 27.141 24.275 20.534 1.00 0.00 ATOM 519 CA GLU 68 28.506 23.857 20.927 1.00 0.00 ATOM 520 CB GLU 68 29.455 25.058 20.926 1.00 0.00 ATOM 521 CG GLU 68 29.786 25.596 19.542 1.00 0.00 ATOM 522 CD GLU 68 30.634 26.835 19.626 1.00 0.00 ATOM 523 OE1 GLU 68 30.888 27.285 20.718 1.00 0.00 ATOM 524 OE2 GLU 68 31.122 27.267 18.609 1.00 0.00 ATOM 525 O GLU 68 29.168 22.152 22.491 1.00 0.00 ATOM 526 C GLU 68 28.518 23.181 22.315 1.00 0.00 ATOM 527 N MET 69 27.639 23.655 23.205 1.00 0.00 ATOM 528 CA MET 69 27.503 23.102 24.571 1.00 0.00 ATOM 529 CB MET 69 26.559 23.972 25.400 1.00 0.00 ATOM 530 CG MET 69 27.017 25.414 25.568 1.00 0.00 ATOM 531 SD MET 69 25.846 26.408 26.513 1.00 0.00 ATOM 532 CE MET 69 26.714 27.972 26.589 1.00 0.00 ATOM 533 O MET 69 27.196 20.998 25.676 1.00 0.00 ATOM 534 C MET 69 27.004 21.659 24.658 1.00 0.00 ATOM 535 N ILE 70 26.231 21.255 23.662 1.00 0.00 ATOM 536 CA ILE 70 25.670 19.904 23.647 1.00 0.00 ATOM 537 CB ILE 70 24.163 19.922 23.329 1.00 0.00 ATOM 538 CG1 ILE 70 23.384 20.576 24.472 1.00 0.00 ATOM 539 CG2 ILE 70 23.657 18.509 23.075 1.00 0.00 ATOM 540 CD1 ILE 70 21.892 20.643 24.235 1.00 0.00 ATOM 541 O ILE 70 26.461 19.335 21.424 1.00 0.00 ATOM 542 C ILE 70 26.404 19.041 22.619 1.00 0.00 ATOM 543 N GLU 71 26.818 17.890 23.119 1.00 0.00 ATOM 544 CA GLU 71 27.432 16.871 22.272 1.00 0.00 ATOM 545 CB GLU 71 28.813 16.489 22.810 1.00 0.00 ATOM 546 CG GLU 71 29.841 17.609 22.753 1.00 0.00 ATOM 547 CD GLU 71 31.187 17.139 23.230 1.00 0.00 ATOM 548 OE1 GLU 71 31.293 16.004 23.630 1.00 0.00 ATOM 549 OE2 GLU 71 32.135 17.876 23.091 1.00 0.00 ATOM 550 O GLU 71 25.820 15.395 23.250 1.00 0.00 ATOM 551 C GLU 71 26.476 15.708 22.249 1.00 0.00 ATOM 552 N VAL 72 26.440 15.111 21.085 1.00 0.00 ATOM 553 CA VAL 72 25.572 13.963 20.832 1.00 0.00 ATOM 554 CB VAL 72 24.371 14.348 19.947 1.00 0.00 ATOM 555 CG1 VAL 72 23.654 15.561 20.520 1.00 0.00 ATOM 556 CG2 VAL 72 24.825 14.623 18.522 1.00 0.00 ATOM 557 O VAL 72 27.253 13.098 19.365 1.00 0.00 ATOM 558 C VAL 72 26.351 12.851 20.171 1.00 0.00 ATOM 559 N GLU 73 25.978 11.657 20.555 1.00 0.00 ATOM 560 CA GLU 73 26.489 10.457 19.878 1.00 0.00 ATOM 561 CB GLU 73 26.885 9.392 20.902 1.00 0.00 ATOM 562 CG GLU 73 27.424 8.104 20.294 1.00 0.00 ATOM 563 CD GLU 73 27.767 7.100 21.358 1.00 0.00 ATOM 564 OE1 GLU 73 27.601 7.406 22.514 1.00 0.00 ATOM 565 OE2 GLU 73 28.089 5.986 21.014 1.00 0.00 ATOM 566 O GLU 73 24.341 10.553 18.813 1.00 0.00 ATOM 567 C GLU 73 25.420 9.918 18.906 1.00 0.00 TER END