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 2 Sun Jul 13 16:23:30 2008 MODEL 2 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 29.629 12.847 23.161 1.00 0.00 ATOM 2 CA MET 1 30.858 12.294 22.540 1.00 0.00 ATOM 3 CB MET 1 30.574 10.906 21.958 1.00 0.00 ATOM 4 CG MET 1 31.788 10.257 21.312 1.00 0.00 ATOM 5 SD MET 1 33.112 9.931 22.493 1.00 0.00 ATOM 6 CE MET 1 34.365 9.238 21.417 1.00 0.00 ATOM 7 O MET 1 32.586 13.440 21.332 1.00 0.00 ATOM 8 C MET 1 31.382 13.198 21.429 1.00 0.00 ATOM 9 N PHE 2 30.548 13.701 20.607 1.00 0.00 ATOM 10 CA PHE 2 30.836 14.583 19.487 1.00 0.00 ATOM 11 CB PHE 2 30.395 13.894 18.194 1.00 0.00 ATOM 12 CG PHE 2 31.227 12.698 17.833 1.00 0.00 ATOM 13 CD1 PHE 2 30.858 11.431 18.249 1.00 0.00 ATOM 14 CD2 PHE 2 32.377 12.839 17.077 1.00 0.00 ATOM 15 CE1 PHE 2 31.623 10.328 17.915 1.00 0.00 ATOM 16 CE2 PHE 2 33.141 11.736 16.741 1.00 0.00 ATOM 17 CZ PHE 2 32.769 10.484 17.158 1.00 0.00 ATOM 18 O PHE 2 28.732 15.714 19.712 1.00 0.00 ATOM 19 C PHE 2 29.951 15.822 19.574 1.00 0.00 ATOM 20 N SER 3 30.565 16.999 19.491 1.00 0.00 ATOM 21 CA SER 3 29.821 18.235 19.559 1.00 0.00 ATOM 22 CB SER 3 30.633 19.392 18.992 1.00 0.00 ATOM 23 OG SER 3 29.810 20.537 19.059 1.00 0.00 ATOM 24 O SER 3 28.843 17.551 17.535 1.00 0.00 ATOM 25 C SER 3 28.650 18.193 18.586 1.00 0.00 ATOM 26 N LEU 4 27.537 18.866 18.832 1.00 0.00 ATOM 27 CA LEU 4 26.390 18.790 17.934 1.00 0.00 ATOM 28 CB LEU 4 25.265 19.705 18.383 1.00 0.00 ATOM 29 CG LEU 4 24.471 19.106 19.538 1.00 0.00 ATOM 30 CD1 LEU 4 23.639 20.271 20.252 1.00 0.00 ATOM 31 CD2 LEU 4 23.481 18.017 19.007 1.00 0.00 ATOM 32 O LEU 4 26.254 18.607 15.545 1.00 0.00 ATOM 33 C LEU 4 26.771 19.175 16.509 1.00 0.00 ATOM 34 N ARG 5 27.675 20.141 16.376 1.00 0.00 ATOM 35 CA ARG 5 28.133 20.607 15.029 1.00 0.00 ATOM 36 CB ARG 5 29.290 21.794 15.626 1.00 0.00 ATOM 37 CG ARG 5 29.023 22.378 17.002 1.00 0.00 ATOM 38 CD ARG 5 30.068 23.304 17.559 1.00 0.00 ATOM 39 NE ARG 5 31.371 22.653 17.687 1.00 0.00 ATOM 40 CZ ARG 5 32.456 23.229 18.187 1.00 0.00 ATOM 41 NH1 ARG 5 32.372 24.471 18.644 1.00 0.00 ATOM 42 NH2 ARG 5 33.571 22.502 18.207 1.00 0.00 ATOM 43 O ARG 5 28.791 19.497 13.007 1.00 0.00 ATOM 44 C ARG 5 28.762 19.466 14.238 1.00 0.00 ATOM 45 N ASP 6 29.263 18.457 14.945 1.00 0.00 ATOM 46 CA ASP 6 29.903 17.278 14.284 1.00 0.00 ATOM 47 CB ASP 6 30.901 16.617 15.237 1.00 0.00 ATOM 48 CG ASP 6 32.080 17.515 15.559 1.00 0.00 ATOM 49 OD1 ASP 6 32.289 18.507 14.828 1.00 0.00 ATOM 50 OD2 ASP 6 32.798 17.227 16.540 1.00 0.00 ATOM 51 O ASP 6 29.182 15.261 13.197 1.00 0.00 ATOM 52 C ASP 6 28.856 16.253 13.849 1.00 0.00 ATOM 53 N ALA 7 27.599 16.497 14.209 1.00 0.00 ATOM 54 CA ALA 7 26.519 15.588 13.846 1.00 0.00 ATOM 55 CB ALA 7 25.627 15.363 15.084 1.00 0.00 ATOM 56 O ALA 7 25.874 17.237 12.227 1.00 0.00 ATOM 57 C ALA 7 25.985 16.039 12.491 1.00 0.00 ATOM 58 N LYS 8 25.654 15.078 11.633 1.00 0.00 ATOM 59 CA LYS 8 25.128 15.394 10.301 1.00 0.00 ATOM 60 CB LYS 8 25.060 14.214 9.332 1.00 0.00 ATOM 61 CG LYS 8 26.418 13.725 8.856 1.00 0.00 ATOM 62 CD LYS 8 26.275 12.564 7.884 1.00 0.00 ATOM 63 CE LYS 8 27.634 12.085 7.394 1.00 0.00 ATOM 64 NZ LYS 8 27.512 10.939 6.451 1.00 0.00 ATOM 65 O LYS 8 22.933 15.493 11.251 1.00 0.00 ATOM 66 C LYS 8 23.713 15.935 10.407 1.00 0.00 ATOM 67 N CYS 9 23.379 16.893 9.548 1.00 0.00 ATOM 68 CA CYS 9 22.046 17.484 9.556 1.00 0.00 ATOM 69 CB CYS 9 21.846 18.499 8.451 1.00 0.00 ATOM 70 SG CYS 9 22.628 20.044 8.997 1.00 0.00 ATOM 71 O CYS 9 21.045 15.831 8.133 1.00 0.00 ATOM 72 C CYS 9 20.979 16.458 9.192 1.00 0.00 ATOM 73 N GLY 10 19.993 16.290 10.068 1.00 0.00 ATOM 74 CA GLY 10 18.895 15.323 9.823 1.00 0.00 ATOM 75 O GLY 10 17.728 15.684 11.888 1.00 0.00 ATOM 76 C GLY 10 18.036 14.884 11.005 1.00 0.00 ATOM 77 N GLN 11 17.654 13.610 11.021 1.00 0.00 ATOM 78 CA GLN 11 16.830 13.076 12.109 1.00 0.00 ATOM 79 CB GLN 11 15.650 12.329 11.005 1.00 0.00 ATOM 80 CG GLN 11 14.843 13.215 10.076 1.00 0.00 ATOM 81 CD GLN 11 15.688 13.826 8.987 1.00 0.00 ATOM 82 OE1 GLN 11 16.413 13.121 8.287 1.00 0.00 ATOM 83 NE2 GLN 11 15.596 15.142 8.831 1.00 0.00 ATOM 84 O GLN 11 18.767 11.600 12.178 1.00 0.00 ATOM 85 C GLN 11 17.805 12.050 12.802 1.00 0.00 ATOM 86 N THR 12 17.537 11.709 14.058 1.00 0.00 ATOM 87 CA THR 12 18.380 10.765 14.782 1.00 0.00 ATOM 88 CB THR 12 17.710 9.263 14.287 1.00 0.00 ATOM 89 CG2 THR 12 17.789 8.101 15.267 1.00 0.00 ATOM 90 OG1 THR 12 16.369 9.399 13.804 1.00 0.00 ATOM 91 O THR 12 20.751 10.353 14.941 1.00 0.00 ATOM 92 C THR 12 19.740 10.774 15.507 1.00 0.00 ATOM 93 N VAL 13 19.754 11.249 16.747 1.00 0.00 ATOM 94 CA VAL 13 20.987 11.301 17.524 1.00 0.00 ATOM 95 CB VAL 13 21.683 12.733 17.533 1.00 0.00 ATOM 96 CG1 VAL 13 21.994 13.203 16.126 1.00 0.00 ATOM 97 CG2 VAL 13 20.823 13.766 18.277 1.00 0.00 ATOM 98 O VAL 13 19.511 10.773 19.343 1.00 0.00 ATOM 99 C VAL 13 20.664 10.836 18.920 1.00 0.00 ATOM 100 N LYS 14 21.732 10.530 19.713 1.00 0.00 ATOM 101 CA LYS 14 21.674 10.393 21.150 1.00 0.00 ATOM 102 CB LYS 14 22.307 9.053 21.527 1.00 0.00 ATOM 103 CG LYS 14 21.626 7.846 20.904 1.00 0.00 ATOM 104 CD LYS 14 22.267 6.549 21.370 1.00 0.00 ATOM 105 CE LYS 14 21.595 5.341 20.736 1.00 0.00 ATOM 106 NZ LYS 14 22.154 4.060 21.250 1.00 0.00 ATOM 107 O LYS 14 23.528 11.885 21.572 1.00 0.00 ATOM 108 C LYS 14 22.372 11.576 21.865 1.00 0.00 ATOM 109 N VAL 15 21.666 12.220 22.789 1.00 0.00 ATOM 110 CA VAL 15 22.232 13.348 23.522 1.00 0.00 ATOM 111 CB VAL 15 21.212 14.210 24.240 1.00 0.00 ATOM 112 CG1 VAL 15 21.937 15.141 25.196 1.00 0.00 ATOM 113 CG2 VAL 15 20.377 15.009 23.239 1.00 0.00 ATOM 114 O VAL 15 22.722 11.895 25.368 1.00 0.00 ATOM 115 C VAL 15 23.133 12.774 24.610 1.00 0.00 ATOM 116 N VAL 16 24.363 13.273 24.686 1.00 0.00 ATOM 117 CA VAL 16 25.312 12.799 25.690 1.00 0.00 ATOM 118 CB VAL 16 26.640 12.374 25.038 1.00 0.00 ATOM 119 CG1 VAL 16 27.632 11.918 26.095 1.00 0.00 ATOM 120 CG2 VAL 16 26.412 11.224 24.065 1.00 0.00 ATOM 121 O VAL 16 25.798 13.496 27.935 1.00 0.00 ATOM 122 C VAL 16 25.644 13.839 26.749 1.00 0.00 ATOM 123 N LYS 17 25.852 15.103 26.335 1.00 0.00 ATOM 124 CA LYS 17 26.240 16.129 27.299 1.00 0.00 ATOM 125 CB LYS 17 27.787 16.358 27.202 1.00 0.00 ATOM 126 CG LYS 17 28.346 17.547 28.055 1.00 0.00 ATOM 127 CD LYS 17 28.518 18.882 27.274 1.00 0.00 ATOM 128 CE LYS 17 29.296 19.872 28.161 1.00 0.00 ATOM 129 NZ LYS 17 29.504 21.130 27.404 1.00 0.00 ATOM 130 O LYS 17 25.426 17.853 25.900 1.00 0.00 ATOM 131 C LYS 17 25.561 17.475 27.053 1.00 0.00 ATOM 132 N LEU 18 25.190 18.159 28.144 1.00 0.00 ATOM 133 CA LEU 18 24.631 19.504 28.065 1.00 0.00 ATOM 134 CB LEU 18 23.255 19.546 28.715 1.00 0.00 ATOM 135 CG LEU 18 22.608 20.934 28.771 1.00 0.00 ATOM 136 CD1 LEU 18 22.355 21.432 27.351 1.00 0.00 ATOM 137 CD2 LEU 18 21.302 20.871 29.549 1.00 0.00 ATOM 138 O LEU 18 25.934 19.969 30.026 1.00 0.00 ATOM 139 C LEU 18 25.407 20.418 29.007 1.00 0.00 ATOM 140 N HIS 19 25.475 21.701 28.666 1.00 0.00 ATOM 141 CA HIS 19 26.203 22.694 29.507 1.00 0.00 ATOM 142 CB HIS 19 27.425 23.187 28.763 1.00 0.00 ATOM 143 CG HIS 19 28.237 24.149 29.573 1.00 0.00 ATOM 144 CD2 HIS 19 29.339 23.963 30.338 1.00 0.00 ATOM 145 ND1 HIS 19 27.912 25.486 29.692 1.00 0.00 ATOM 146 CE1 HIS 19 28.779 26.077 30.495 1.00 0.00 ATOM 147 NE2 HIS 19 29.654 25.174 30.902 1.00 0.00 ATOM 148 O HIS 19 24.555 24.276 28.777 1.00 0.00 ATOM 149 C HIS 19 25.363 23.958 29.650 1.00 0.00 ATOM 150 N GLY 20 25.553 24.677 30.751 1.00 0.00 ATOM 151 CA GLY 20 24.815 25.876 30.979 1.00 0.00 ATOM 152 O GLY 20 22.923 24.696 31.892 1.00 0.00 ATOM 153 C GLY 20 23.437 25.718 31.541 1.00 0.00 ATOM 154 N THR 21 22.823 26.931 31.671 1.00 0.00 ATOM 155 CA THR 21 21.550 27.096 32.304 1.00 0.00 ATOM 156 CB THR 21 21.699 27.418 33.842 1.00 0.00 ATOM 157 CG2 THR 21 22.616 26.406 34.567 1.00 0.00 ATOM 158 OG1 THR 21 22.225 28.740 33.990 1.00 0.00 ATOM 159 O THR 21 21.214 28.916 30.822 1.00 0.00 ATOM 160 C THR 21 20.760 28.213 31.727 1.00 0.00 ATOM 161 N GLY 22 19.547 28.396 32.243 1.00 0.00 ATOM 162 CA GLY 22 18.675 29.462 31.761 1.00 0.00 ATOM 163 O GLY 22 17.000 27.840 31.199 1.00 0.00 ATOM 164 C GLY 22 17.456 28.965 30.993 1.00 0.00 ATOM 165 N ALA 23 16.929 29.806 30.108 1.00 0.00 ATOM 166 CA ALA 23 15.766 29.434 29.318 1.00 0.00 ATOM 167 CB ALA 23 15.267 30.583 28.478 1.00 0.00 ATOM 168 O ALA 23 15.202 27.279 28.427 1.00 0.00 ATOM 169 C ALA 23 16.037 28.183 28.490 1.00 0.00 ATOM 170 N LEU 24 17.205 28.130 27.857 1.00 0.00 ATOM 171 CA LEU 24 17.576 26.972 27.033 1.00 0.00 ATOM 172 CB LEU 24 18.897 27.186 26.293 1.00 0.00 ATOM 173 CG LEU 24 18.894 28.248 25.193 1.00 0.00 ATOM 174 CD1 LEU 24 20.303 28.482 24.667 1.00 0.00 ATOM 175 CD2 LEU 24 18.018 27.811 24.026 1.00 0.00 ATOM 176 O LEU 24 17.141 24.638 27.470 1.00 0.00 ATOM 177 C LEU 24 17.688 25.671 27.858 1.00 0.00 ATOM 178 N LYS 25 18.392 25.734 28.984 1.00 0.00 ATOM 179 CA LYS 25 18.559 24.565 29.839 1.00 0.00 ATOM 180 CB LYS 25 18.978 25.126 31.312 1.00 0.00 ATOM 181 CG LYS 25 19.874 24.121 32.167 1.00 0.00 ATOM 182 CD LYS 25 19.555 24.253 33.610 1.00 0.00 ATOM 183 CE LYS 25 20.222 23.141 34.442 1.00 0.00 ATOM 184 NZ LYS 25 21.698 23.352 34.653 1.00 0.00 ATOM 185 O LYS 25 16.878 22.862 30.222 1.00 0.00 ATOM 186 C LYS 25 17.163 24.057 30.306 1.00 0.00 ATOM 187 N ARG 26 16.321 24.966 30.790 1.00 0.00 ATOM 188 CA ARG 26 14.989 24.594 31.251 1.00 0.00 ATOM 189 CB ARG 26 14.155 25.783 31.692 1.00 0.00 ATOM 190 CG ARG 26 14.655 26.279 33.081 1.00 0.00 ATOM 191 CD ARG 26 13.826 27.445 33.521 1.00 0.00 ATOM 192 NE ARG 26 14.171 28.743 32.953 1.00 0.00 ATOM 193 CZ ARG 26 13.417 29.395 32.075 1.00 0.00 ATOM 194 NH1 ARG 26 12.272 28.863 31.645 1.00 0.00 ATOM 195 NH2 ARG 26 13.830 30.570 31.631 1.00 0.00 ATOM 196 O ARG 26 13.590 22.831 30.346 1.00 0.00 ATOM 197 C ARG 26 14.200 23.875 30.112 1.00 0.00 ATOM 198 N ARG 27 14.226 24.442 28.911 1.00 0.00 ATOM 199 CA ARG 27 13.522 23.847 27.780 1.00 0.00 ATOM 200 CB ARG 27 13.514 24.809 26.586 1.00 0.00 ATOM 201 CG ARG 27 12.564 25.992 26.755 1.00 0.00 ATOM 202 CD ARG 27 12.371 26.716 25.432 1.00 0.00 ATOM 203 NE ARG 27 13.600 27.345 24.961 1.00 0.00 ATOM 204 CZ ARG 27 14.074 28.500 25.422 1.00 0.00 ATOM 205 NH1 ARG 27 13.417 29.160 26.366 1.00 0.00 ATOM 206 NH2 ARG 27 15.205 28.993 24.940 1.00 0.00 ATOM 207 O ARG 27 13.296 21.550 27.122 1.00 0.00 ATOM 208 C ARG 27 14.061 22.459 27.447 1.00 0.00 ATOM 209 N ILE 28 15.378 22.299 27.529 1.00 0.00 ATOM 210 CA ILE 28 16.004 21.012 27.236 1.00 0.00 ATOM 211 CB ILE 28 17.515 21.178 27.246 1.00 0.00 ATOM 212 CG1 ILE 28 17.987 22.127 26.130 1.00 0.00 ATOM 213 CG2 ILE 28 18.220 19.834 27.147 1.00 0.00 ATOM 214 CD1 ILE 28 19.417 22.561 26.331 1.00 0.00 ATOM 215 O ILE 28 15.175 18.865 27.932 1.00 0.00 ATOM 216 C ILE 28 15.552 19.985 28.279 1.00 0.00 ATOM 217 N MET 29 15.592 20.371 29.550 1.00 0.00 ATOM 218 CA MET 29 15.183 19.475 30.625 1.00 0.00 ATOM 219 CB MET 29 15.281 20.046 31.972 1.00 0.00 ATOM 220 CG MET 29 16.734 20.276 32.393 1.00 0.00 ATOM 221 SD MET 29 17.888 18.725 32.306 1.00 0.00 ATOM 222 CE MET 29 17.310 17.808 33.946 1.00 0.00 ATOM 223 O MET 29 13.373 17.901 30.549 1.00 0.00 ATOM 224 C MET 29 13.722 19.078 30.439 1.00 0.00 ATOM 225 N ASP 30 12.870 20.058 30.157 1.00 0.00 ATOM 226 CA ASP 30 11.433 19.795 29.953 1.00 0.00 ATOM 227 CB ASP 30 10.667 21.106 29.762 1.00 0.00 ATOM 228 CG ASP 30 10.529 21.893 31.049 1.00 0.00 ATOM 229 OD1 ASP 30 10.816 21.328 32.125 1.00 0.00 ATOM 230 OD2 ASP 30 10.135 23.076 30.981 1.00 0.00 ATOM 231 O ASP 30 10.321 17.982 28.813 1.00 0.00 ATOM 232 C ASP 30 11.179 18.863 28.748 1.00 0.00 ATOM 233 N MET 31 11.924 19.065 27.667 1.00 0.00 ATOM 234 CA MET 31 11.767 18.239 26.475 1.00 0.00 ATOM 235 CB MET 31 11.677 19.439 25.386 1.00 0.00 ATOM 236 CG MET 31 10.968 19.181 24.116 1.00 0.00 ATOM 237 SD MET 31 11.204 20.684 23.161 1.00 0.00 ATOM 238 CE MET 31 10.151 21.814 24.004 1.00 0.00 ATOM 239 O MET 31 12.321 16.011 25.785 1.00 0.00 ATOM 240 C MET 31 12.454 16.890 26.638 1.00 0.00 ATOM 241 N GLY 32 13.186 16.726 27.735 1.00 0.00 ATOM 242 CA GLY 32 13.886 15.474 27.996 1.00 0.00 ATOM 243 O GLY 32 15.796 14.153 27.387 1.00 0.00 ATOM 244 C GLY 32 15.238 15.250 27.326 1.00 0.00 ATOM 245 N ILE 33 15.764 16.291 26.690 1.00 0.00 ATOM 246 CA ILE 33 17.076 16.198 26.002 1.00 0.00 ATOM 247 CB ILE 33 17.258 17.357 25.004 1.00 0.00 ATOM 248 CG1 ILE 33 16.116 17.366 23.986 1.00 0.00 ATOM 249 CG2 ILE 33 18.573 17.211 24.254 1.00 0.00 ATOM 250 CD1 ILE 33 16.063 18.619 23.138 1.00 0.00 ATOM 251 O ILE 33 18.916 17.158 27.212 1.00 0.00 ATOM 252 C ILE 33 18.184 16.179 27.056 1.00 0.00 ATOM 253 N THR 34 18.304 15.068 27.776 1.00 0.00 ATOM 254 CA THR 34 19.327 14.942 28.806 1.00 0.00 ATOM 255 CB THR 34 18.559 14.508 30.068 1.00 0.00 ATOM 256 CG2 THR 34 17.513 15.550 30.438 1.00 0.00 ATOM 257 OG1 THR 34 17.905 13.258 29.830 1.00 0.00 ATOM 258 O THR 34 20.164 13.200 27.394 1.00 0.00 ATOM 259 C THR 34 20.300 13.836 28.440 1.00 0.00 ATOM 260 N ARG 35 21.283 13.603 29.303 1.00 0.00 ATOM 261 CA ARG 35 22.275 12.563 29.055 1.00 0.00 ATOM 262 CB ARG 35 23.008 12.243 30.349 1.00 0.00 ATOM 263 CG ARG 35 23.858 13.435 30.817 1.00 0.00 ATOM 264 CD ARG 35 24.559 13.197 32.154 1.00 0.00 ATOM 265 NE ARG 35 25.425 14.314 32.546 1.00 0.00 ATOM 266 CZ ARG 35 26.666 14.480 32.089 1.00 0.00 ATOM 267 NH1 ARG 35 27.400 15.521 32.502 1.00 0.00 ATOM 268 NH2 ARG 35 27.171 13.602 31.221 1.00 0.00 ATOM 269 O ARG 35 20.493 10.940 29.336 1.00 0.00 ATOM 270 C ARG 35 21.502 11.282 28.702 1.00 0.00 ATOM 271 N GLY 36 21.697 10.606 27.608 1.00 0.00 ATOM 272 CA GLY 36 21.116 9.352 27.174 1.00 0.00 ATOM 273 O GLY 36 19.329 8.433 25.863 1.00 0.00 ATOM 274 C GLY 36 19.809 9.436 26.393 1.00 0.00 ATOM 275 N CYS 37 19.236 10.634 26.321 1.00 0.00 ATOM 276 CA CYS 37 17.965 10.840 25.586 1.00 0.00 ATOM 277 CB CYS 37 17.428 12.241 25.840 1.00 0.00 ATOM 278 SG CYS 37 15.819 12.514 25.053 1.00 0.00 ATOM 279 O CYS 37 19.074 11.448 23.551 1.00 0.00 ATOM 280 C CYS 37 18.133 10.851 24.075 1.00 0.00 ATOM 281 N GLU 38 17.216 10.192 23.372 1.00 0.00 ATOM 282 CA GLU 38 17.275 10.136 21.917 1.00 0.00 ATOM 283 CB GLU 38 16.742 8.776 21.459 1.00 0.00 ATOM 284 CG GLU 38 17.616 7.599 21.868 1.00 0.00 ATOM 285 CD GLU 38 17.032 6.267 21.441 1.00 0.00 ATOM 286 OE1 GLU 38 15.932 6.262 20.851 1.00 0.00 ATOM 287 OE2 GLU 38 17.677 5.228 21.700 1.00 0.00 ATOM 288 O GLU 38 15.347 11.562 21.850 1.00 0.00 ATOM 289 C GLU 38 16.451 11.298 21.373 1.00 0.00 ATOM 290 N ILE 39 16.987 11.988 20.371 1.00 0.00 ATOM 291 CA ILE 39 16.289 13.105 19.781 1.00 0.00 ATOM 292 CB ILE 39 16.727 14.439 20.412 1.00 0.00 ATOM 293 CG1 ILE 39 18.236 14.636 20.251 1.00 0.00 ATOM 294 CG2 ILE 39 16.393 14.463 21.895 1.00 0.00 ATOM 295 CD1 ILE 39 18.717 16.013 20.650 1.00 0.00 ATOM 296 O ILE 39 17.384 12.234 17.810 1.00 0.00 ATOM 297 C ILE 39 16.619 13.078 18.282 1.00 0.00 ATOM 298 N TYR 40 16.052 14.014 17.569 1.00 0.00 ATOM 299 CA TYR 40 16.393 14.203 16.162 1.00 0.00 ATOM 300 CB TYR 40 15.158 14.102 15.310 1.00 0.00 ATOM 301 CG TYR 40 14.285 12.930 15.685 1.00 0.00 ATOM 302 CD1 TYR 40 12.961 13.123 16.077 1.00 0.00 ATOM 303 CD2 TYR 40 14.780 11.628 15.649 1.00 0.00 ATOM 304 CE1 TYR 40 12.149 12.047 16.423 1.00 0.00 ATOM 305 CE2 TYR 40 13.973 10.543 15.996 1.00 0.00 ATOM 306 CZ TYR 40 12.660 10.763 16.379 1.00 0.00 ATOM 307 OH TYR 40 11.851 9.700 16.705 1.00 0.00 ATOM 308 O TYR 40 16.447 16.509 16.823 1.00 0.00 ATOM 309 C TYR 40 16.932 15.628 16.112 1.00 0.00 ATOM 310 N ILE 41 17.937 15.853 15.271 1.00 0.00 ATOM 311 CA ILE 41 18.530 17.180 15.139 1.00 0.00 ATOM 312 CB ILE 41 19.784 17.315 16.055 1.00 0.00 ATOM 313 CG1 ILE 41 20.762 16.178 15.750 1.00 0.00 ATOM 314 CG2 ILE 41 19.392 17.359 17.522 1.00 0.00 ATOM 315 CD1 ILE 41 22.125 16.365 16.398 1.00 0.00 ATOM 316 O ILE 41 19.568 17.043 12.989 1.00 0.00 ATOM 317 C ILE 41 18.848 17.691 13.750 1.00 0.00 ATOM 318 N ARG 42 18.312 18.859 13.413 1.00 0.00 ATOM 319 CA ARG 42 18.550 19.451 12.101 1.00 0.00 ATOM 320 CB ARG 42 17.242 19.557 11.307 1.00 0.00 ATOM 321 CG ARG 42 16.819 18.312 10.549 1.00 0.00 ATOM 322 CD ARG 42 15.748 18.596 9.462 1.00 0.00 ATOM 323 NE ARG 42 16.291 19.588 8.584 1.00 0.00 ATOM 324 CZ ARG 42 17.212 19.358 7.661 1.00 0.00 ATOM 325 NH1 ARG 42 17.698 20.360 6.973 1.00 0.00 ATOM 326 NH2 ARG 42 17.623 18.125 7.384 1.00 0.00 ATOM 327 O ARG 42 18.944 21.593 13.108 1.00 0.00 ATOM 328 C ARG 42 19.244 20.805 12.211 1.00 0.00 ATOM 329 N LYS 43 20.171 21.072 11.297 1.00 0.00 ATOM 330 CA LYS 43 20.886 22.325 11.307 1.00 0.00 ATOM 331 CB LYS 43 22.377 22.097 11.593 1.00 0.00 ATOM 332 CG LYS 43 23.345 23.001 10.831 1.00 0.00 ATOM 333 CD LYS 43 24.753 22.981 11.424 1.00 0.00 ATOM 334 CE LYS 43 25.754 23.904 10.725 1.00 0.00 ATOM 335 NZ LYS 43 25.692 25.302 11.174 1.00 0.00 ATOM 336 O LYS 43 20.782 22.209 8.937 1.00 0.00 ATOM 337 C LYS 43 20.837 22.921 9.940 1.00 0.00 ATOM 338 N VAL 44 20.856 24.250 9.880 1.00 0.00 ATOM 339 CA VAL 44 20.815 24.949 8.601 1.00 0.00 ATOM 340 CB VAL 44 19.344 25.277 8.163 1.00 0.00 ATOM 341 CG1 VAL 44 19.298 25.937 6.790 1.00 0.00 ATOM 342 CG2 VAL 44 18.468 24.024 8.168 1.00 0.00 ATOM 343 O VAL 44 21.605 27.023 9.515 1.00 0.00 ATOM 344 C VAL 44 21.767 26.139 8.672 1.00 0.00 ATOM 345 N ALA 45 22.758 26.160 7.787 1.00 0.00 ATOM 346 CA ALA 45 23.722 27.249 7.762 1.00 0.00 ATOM 347 CB ALA 45 24.805 27.092 6.706 1.00 0.00 ATOM 348 O ALA 45 22.988 29.397 8.450 1.00 0.00 ATOM 349 C ALA 45 22.977 28.565 7.542 1.00 0.00 ATOM 350 N PRO 46 22.327 28.807 6.397 1.00 0.00 ATOM 351 CA PRO 46 21.686 30.136 6.259 1.00 0.00 ATOM 352 CB PRO 46 21.030 30.093 4.917 1.00 0.00 ATOM 353 CG PRO 46 21.899 29.111 4.164 1.00 0.00 ATOM 354 CD PRO 46 22.035 28.010 5.172 1.00 0.00 ATOM 355 O PRO 46 20.526 31.570 7.779 1.00 0.00 ATOM 356 C PRO 46 20.631 30.423 7.341 1.00 0.00 ATOM 357 N LEU 47 19.850 29.373 7.813 1.00 0.00 ATOM 358 CA LEU 47 18.841 29.540 8.874 1.00 0.00 ATOM 359 CB LEU 47 18.138 28.246 9.290 1.00 0.00 ATOM 360 CG LEU 47 17.088 27.703 8.319 1.00 0.00 ATOM 361 CD1 LEU 47 16.602 26.333 8.762 1.00 0.00 ATOM 362 CD2 LEU 47 15.884 28.634 8.252 1.00 0.00 ATOM 363 O LEU 47 19.335 31.146 10.588 1.00 0.00 ATOM 364 C LEU 47 19.701 30.136 9.985 1.00 0.00 ATOM 365 N GLY 48 20.842 29.510 10.254 1.00 0.00 ATOM 366 CA GLY 48 21.771 29.997 11.318 1.00 0.00 ATOM 367 O GLY 48 24.039 29.415 10.774 1.00 0.00 ATOM 368 C GLY 48 23.087 29.245 11.536 1.00 0.00 ATOM 369 N ASP 49 23.133 28.415 12.573 1.00 0.00 ATOM 370 CA ASP 49 24.334 27.645 12.872 1.00 0.00 ATOM 371 CB ASP 49 25.538 28.603 13.085 1.00 0.00 ATOM 372 CG ASP 49 26.876 27.936 13.075 1.00 0.00 ATOM 373 OD1 ASP 49 26.937 26.686 13.235 1.00 0.00 ATOM 374 OD2 ASP 49 27.935 28.605 12.957 1.00 0.00 ATOM 375 O ASP 49 24.067 25.982 14.995 1.00 0.00 ATOM 376 C ASP 49 23.967 26.805 14.080 1.00 0.00 ATOM 377 N PRO 50 22.391 27.375 14.170 1.00 0.00 ATOM 378 CA PRO 50 21.446 26.884 15.171 1.00 0.00 ATOM 379 CB PRO 50 20.330 27.468 15.324 1.00 0.00 ATOM 380 CG PRO 50 20.474 28.928 14.827 1.00 0.00 ATOM 381 CD PRO 50 21.971 29.166 14.873 1.00 0.00 ATOM 382 O PRO 50 21.410 24.936 13.748 1.00 0.00 ATOM 383 C PRO 50 21.097 25.418 14.836 1.00 0.00 ATOM 384 N ILE 51 20.453 24.728 15.772 1.00 0.00 ATOM 385 CA ILE 51 20.075 23.335 15.558 1.00 0.00 ATOM 386 CB ILE 51 21.117 22.449 16.253 1.00 0.00 ATOM 387 CG1 ILE 51 22.452 22.448 15.509 1.00 0.00 ATOM 388 CG2 ILE 51 20.518 21.056 16.350 1.00 0.00 ATOM 389 CD1 ILE 51 23.654 21.838 16.241 1.00 0.00 ATOM 390 O ILE 51 18.468 23.560 17.325 1.00 0.00 ATOM 391 C ILE 51 18.710 23.115 16.203 1.00 0.00 ATOM 392 N GLN 52 17.822 22.427 15.493 1.00 0.00 ATOM 393 CA GLN 52 16.493 22.156 16.011 1.00 0.00 ATOM 394 CB GLN 52 15.311 22.541 15.098 1.00 0.00 ATOM 395 CG GLN 52 16.121 23.992 13.740 1.00 0.00 ATOM 396 CD GLN 52 16.196 25.184 14.655 1.00 0.00 ATOM 397 OE1 GLN 52 17.253 25.792 14.817 1.00 0.00 ATOM 398 NE2 GLN 52 15.072 25.511 15.287 1.00 0.00 ATOM 399 O GLN 52 16.775 19.782 15.814 1.00 0.00 ATOM 400 C GLN 52 16.437 20.724 16.532 1.00 0.00 ATOM 401 N ILE 53 16.011 20.562 17.781 1.00 0.00 ATOM 402 CA ILE 53 15.915 19.238 18.378 1.00 0.00 ATOM 403 CB ILE 53 16.436 19.174 19.827 1.00 0.00 ATOM 404 CG1 ILE 53 17.916 19.559 19.879 1.00 0.00 ATOM 405 CG2 ILE 53 16.283 17.768 20.386 1.00 0.00 ATOM 406 CD1 ILE 53 18.446 19.757 21.283 1.00 0.00 ATOM 407 O ILE 53 13.597 19.518 18.929 1.00 0.00 ATOM 408 C ILE 53 14.447 18.823 18.373 1.00 0.00 ATOM 409 N ASN 54 14.153 17.688 17.745 1.00 0.00 ATOM 410 CA ASN 54 12.783 17.194 17.680 1.00 0.00 ATOM 411 CB ASN 54 12.501 16.600 16.327 1.00 0.00 ATOM 412 CG ASN 54 11.067 16.130 16.236 1.00 0.00 ATOM 413 ND2 ASN 54 10.390 16.468 15.123 1.00 0.00 ATOM 414 OD1 ASN 54 10.567 15.468 17.149 1.00 0.00 ATOM 415 O ASN 54 13.402 15.064 18.571 1.00 0.00 ATOM 416 C ASN 54 12.636 16.017 18.645 1.00 0.00 ATOM 417 N VAL 55 11.656 16.079 19.536 1.00 0.00 ATOM 418 CA VAL 55 11.394 15.031 20.520 1.00 0.00 ATOM 419 CB VAL 55 11.987 15.397 21.895 1.00 0.00 ATOM 420 CG1 VAL 55 11.702 14.302 22.907 1.00 0.00 ATOM 421 CG2 VAL 55 13.495 15.575 21.792 1.00 0.00 ATOM 422 O VAL 55 9.198 15.861 21.011 1.00 0.00 ATOM 423 C VAL 55 9.873 14.934 20.563 1.00 0.00 ATOM 424 N ARG 56 9.340 13.784 20.148 1.00 0.00 ATOM 425 CA ARG 56 7.897 13.619 20.103 1.00 0.00 ATOM 426 CB ARG 56 7.214 13.727 21.406 1.00 0.00 ATOM 427 CG ARG 56 7.330 12.476 22.265 1.00 0.00 ATOM 428 CD ARG 56 8.738 12.283 22.804 1.00 0.00 ATOM 429 NE ARG 56 8.849 11.094 23.647 1.00 0.00 ATOM 430 CZ ARG 56 8.147 10.891 24.759 1.00 0.00 ATOM 431 NH1 ARG 56 7.271 11.799 25.171 1.00 0.00 ATOM 432 NH2 ARG 56 8.324 9.781 25.459 1.00 0.00 ATOM 433 O ARG 56 8.031 14.990 18.134 1.00 0.00 ATOM 434 C ARG 56 7.430 14.741 19.181 1.00 0.00 ATOM 435 N GLY 57 6.415 15.426 19.500 1.00 0.00 ATOM 436 CA GLY 57 5.887 16.514 18.699 1.00 0.00 ATOM 437 O GLY 57 6.117 18.895 18.496 1.00 0.00 ATOM 438 C GLY 57 6.449 17.871 19.092 1.00 0.00 ATOM 439 N TYR 58 7.362 17.866 20.074 1.00 0.00 ATOM 440 CA TYR 58 7.962 19.097 20.589 1.00 0.00 ATOM 441 CB TYR 58 8.403 18.895 22.052 1.00 0.00 ATOM 442 CG TYR 58 7.226 18.735 22.974 1.00 0.00 ATOM 443 CD1 TYR 58 6.597 19.857 23.524 1.00 0.00 ATOM 444 CD2 TYR 58 6.733 17.462 23.269 1.00 0.00 ATOM 445 CE1 TYR 58 5.519 19.744 24.399 1.00 0.00 ATOM 446 CE2 TYR 58 5.643 17.334 24.129 1.00 0.00 ATOM 447 CZ TYR 58 5.035 18.467 24.689 1.00 0.00 ATOM 448 OH TYR 58 3.953 18.357 25.519 1.00 0.00 ATOM 449 O TYR 58 9.963 18.583 19.304 1.00 0.00 ATOM 450 C TYR 58 9.168 19.454 19.756 1.00 0.00 ATOM 451 N GLU 59 9.264 20.714 19.586 1.00 0.00 ATOM 452 CA GLU 59 10.506 21.296 19.045 1.00 0.00 ATOM 453 CB GLU 59 10.388 21.339 17.430 1.00 0.00 ATOM 454 CG GLU 59 9.612 22.525 16.970 1.00 0.00 ATOM 455 CD GLU 59 9.390 22.540 15.480 1.00 0.00 ATOM 456 OE1 GLU 59 8.595 21.741 14.956 1.00 0.00 ATOM 457 OE2 GLU 59 9.923 23.393 14.798 1.00 0.00 ATOM 458 O GLU 59 10.613 23.056 20.659 1.00 0.00 ATOM 459 C GLU 59 11.226 22.184 20.039 1.00 0.00 ATOM 460 N LEU 60 12.528 21.927 20.258 1.00 0.00 ATOM 461 CA LEU 60 13.375 22.757 21.079 1.00 0.00 ATOM 462 CB LEU 60 14.054 21.922 22.146 1.00 0.00 ATOM 463 CG LEU 60 15.043 22.726 23.004 1.00 0.00 ATOM 464 CD1 LEU 60 14.433 23.999 23.582 1.00 0.00 ATOM 465 CD2 LEU 60 15.606 21.819 24.117 1.00 0.00 ATOM 466 O LEU 60 15.313 22.520 19.684 1.00 0.00 ATOM 467 C LEU 60 14.475 23.285 20.165 1.00 0.00 ATOM 468 N SER 61 14.471 24.592 19.925 1.00 0.00 ATOM 469 CA SER 61 15.469 25.196 19.076 1.00 0.00 ATOM 470 CB SER 61 14.859 26.360 18.292 1.00 0.00 ATOM 471 OG SER 61 15.835 27.001 17.488 1.00 0.00 ATOM 472 O SER 61 16.435 26.458 20.874 1.00 0.00 ATOM 473 C SER 61 16.637 25.735 19.898 1.00 0.00 ATOM 474 N LEU 62 17.854 25.383 19.500 1.00 0.00 ATOM 475 CA LEU 62 19.024 25.838 20.203 1.00 0.00 ATOM 476 CB LEU 62 19.986 24.700 20.553 1.00 0.00 ATOM 477 CG LEU 62 19.416 23.574 21.417 1.00 0.00 ATOM 478 CD1 LEU 62 20.448 22.474 21.615 1.00 0.00 ATOM 479 CD2 LEU 62 19.013 24.098 22.786 1.00 0.00 ATOM 480 O LEU 62 20.241 26.523 18.290 1.00 0.00 ATOM 481 C LEU 62 19.790 26.866 19.377 1.00 0.00 ATOM 482 N ARG 63 20.027 28.041 19.937 1.00 0.00 ATOM 483 CA ARG 63 20.907 29.001 19.272 1.00 0.00 ATOM 484 CB ARG 63 21.016 30.287 20.092 1.00 0.00 ATOM 485 CG ARG 63 19.729 31.096 20.152 1.00 0.00 ATOM 486 CD ARG 63 19.879 32.308 21.056 1.00 0.00 ATOM 487 NE ARG 63 20.086 31.927 22.452 1.00 0.00 ATOM 488 CZ ARG 63 20.477 32.765 23.405 1.00 0.00 ATOM 489 NH1 ARG 63 20.641 32.328 24.646 1.00 0.00 ATOM 490 NH2 ARG 63 20.707 34.040 23.114 1.00 0.00 ATOM 491 O ARG 63 22.544 27.323 19.876 1.00 0.00 ATOM 492 C ARG 63 22.271 28.270 19.136 1.00 0.00 ATOM 493 N LYS 64 23.103 28.717 18.201 1.00 0.00 ATOM 494 CA LYS 64 24.409 28.103 17.994 1.00 0.00 ATOM 495 CB LYS 64 25.331 29.326 17.284 1.00 0.00 ATOM 496 CG LYS 64 24.663 30.304 16.316 1.00 0.00 ATOM 497 CD LYS 64 25.511 31.555 16.127 1.00 0.00 ATOM 498 CE LYS 64 24.904 32.509 15.104 1.00 0.00 ATOM 499 NZ LYS 64 24.976 31.952 13.725 1.00 0.00 ATOM 500 O LYS 64 25.976 27.127 19.560 1.00 0.00 ATOM 501 C LYS 64 25.252 28.088 19.302 1.00 0.00 ATOM 502 N SER 65 25.143 29.145 20.100 1.00 0.00 ATOM 503 CA SER 65 25.890 29.228 21.350 1.00 0.00 ATOM 504 CB SER 65 25.660 30.544 22.094 1.00 0.00 ATOM 505 OG SER 65 24.308 30.671 22.502 1.00 0.00 ATOM 506 O SER 65 26.345 27.573 23.026 1.00 0.00 ATOM 507 C SER 65 25.513 28.065 22.261 1.00 0.00 ATOM 508 N ALA 66 24.262 27.626 22.179 1.00 0.00 ATOM 509 CA ALA 66 23.783 26.503 23.012 1.00 0.00 ATOM 510 CB ALA 66 22.284 26.572 23.192 1.00 0.00 ATOM 511 O ALA 66 24.366 24.188 22.938 1.00 0.00 ATOM 512 C ALA 66 24.073 25.201 22.301 1.00 0.00 ATOM 513 N ALA 67 23.993 25.221 20.975 1.00 0.00 ATOM 514 CA ALA 67 24.255 24.024 20.184 1.00 0.00 ATOM 515 CB ALA 67 23.783 24.314 18.733 1.00 0.00 ATOM 516 O ALA 67 25.892 22.285 20.528 1.00 0.00 ATOM 517 C ALA 67 25.679 23.496 20.456 1.00 0.00 ATOM 518 N GLU 68 26.638 24.406 20.606 1.00 0.00 ATOM 519 CA GLU 68 28.017 24.014 20.869 1.00 0.00 ATOM 520 CB GLU 68 28.913 25.216 20.454 1.00 0.00 ATOM 521 CG GLU 68 28.812 25.573 18.963 1.00 0.00 ATOM 522 CD GLU 68 29.706 26.776 18.548 1.00 0.00 ATOM 523 OE1 GLU 68 29.521 27.863 19.081 1.00 0.00 ATOM 524 OE2 GLU 68 30.583 26.624 17.677 1.00 0.00 ATOM 525 O GLU 68 29.268 22.741 22.498 1.00 0.00 ATOM 526 C GLU 68 28.234 23.365 22.260 1.00 0.00 ATOM 527 N MET 69 27.263 23.523 23.154 1.00 0.00 ATOM 528 CA MET 69 27.368 22.949 24.490 1.00 0.00 ATOM 529 CB MET 69 26.652 23.859 25.492 1.00 0.00 ATOM 530 CG MET 69 27.331 25.202 25.707 1.00 0.00 ATOM 531 SD MET 69 26.523 26.197 26.974 1.00 0.00 ATOM 532 CE MET 69 24.993 26.623 26.147 1.00 0.00 ATOM 533 O MET 69 26.700 20.997 25.754 1.00 0.00 ATOM 534 C MET 69 26.725 21.547 24.652 1.00 0.00 ATOM 535 N ILE 70 26.218 20.988 23.557 1.00 0.00 ATOM 536 CA ILE 70 25.594 19.670 23.599 1.00 0.00 ATOM 537 CB ILE 70 24.077 19.764 23.206 1.00 0.00 ATOM 538 CG1 ILE 70 23.250 20.413 24.326 1.00 0.00 ATOM 539 CG2 ILE 70 23.525 18.379 22.843 1.00 0.00 ATOM 540 CD1 ILE 70 21.799 20.733 23.940 1.00 0.00 ATOM 541 O ILE 70 26.717 18.977 21.605 1.00 0.00 ATOM 542 C ILE 70 26.431 18.714 22.773 1.00 0.00 ATOM 543 N GLU 71 26.827 17.599 23.379 1.00 0.00 ATOM 544 CA GLU 71 27.637 16.608 22.680 1.00 0.00 ATOM 545 CB GLU 71 28.966 16.416 23.396 1.00 0.00 ATOM 546 CG GLU 71 29.827 17.680 23.349 1.00 0.00 ATOM 547 CD GLU 71 31.186 17.562 23.995 1.00 0.00 ATOM 548 OE1 GLU 71 31.657 18.577 24.562 1.00 0.00 ATOM 549 OE2 GLU 71 31.810 16.498 23.912 1.00 0.00 ATOM 550 O GLU 71 25.853 15.164 23.367 1.00 0.00 ATOM 551 C GLU 71 26.701 15.420 22.511 1.00 0.00 ATOM 552 N VAL 72 26.805 14.736 21.374 1.00 0.00 ATOM 553 CA VAL 72 25.889 13.648 21.061 1.00 0.00 ATOM 554 CB VAL 72 24.820 14.097 20.047 1.00 0.00 ATOM 555 CG1 VAL 72 23.946 15.191 20.643 1.00 0.00 ATOM 556 CG2 VAL 72 25.476 14.641 18.787 1.00 0.00 ATOM 557 O VAL 72 27.908 12.502 20.420 1.00 0.00 ATOM 558 C VAL 72 26.683 12.493 20.457 1.00 0.00 ATOM 559 N GLU 73 25.917 11.490 20.070 1.00 0.00 ATOM 560 CA GLU 73 26.398 10.275 19.447 1.00 0.00 ATOM 561 CB GLU 73 26.377 9.110 20.436 1.00 0.00 ATOM 562 CG GLU 73 27.285 9.301 21.639 1.00 0.00 ATOM 563 CD GLU 73 27.156 8.178 22.651 1.00 0.00 ATOM 564 OE1 GLU 73 26.327 7.271 22.430 1.00 0.00 ATOM 565 OE2 GLU 73 27.887 8.206 23.664 1.00 0.00 ATOM 566 O GLU 73 24.252 10.017 18.453 1.00 0.00 ATOM 567 C GLU 73 25.471 9.967 18.260 1.00 0.00 TER END