PFRMAT TS TARGET T0474 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 My initial attempts to model this protein as a monomer failed miserably. METHOD Eventually I realized that this was an obligate dimer, and managed to METHOD get decent models up to N49. Beyond that, the molecule is likely to METHOD be floppy (based on such templates as 2an7A), but I only worked on two METHOD models. The C-terminal helices may be real, but their positioning METHOD relative to the N-terminal domain is uncertain. METHOD METHOD All these models are from SAM+UNDERTAKER models. METHOD If CASP had not been so very rushed at the end, I would have tried METHOD building and optimizing dimers from several of the metaserver models, METHOD to get a wider range of models. METHOD METHOD 1 T0474.try16-opt3.unpack.gromacs0.repack-nonPC.pdb chain A # < chimera-try12-try13 METHOD 2 T0474.try14-opt3.unpack.pdb chain A # < chimera-try12-try13 METHOD 3 T0474.try15-opt3.unpack.pdb chain A # < try12-opt3 METHOD 4 T0474.try12-opt3.unpack.pdb chain A # < dimer-try3-2cpg METHOD 5 T0474.try13-opt3.unpack.pdb chain A # < try9-opt3 < dimer-try3-2cpg METHOD METHOD (try3 from 3cpgA) REMARK 6 REMARK 6 T0474 model 1 Sun Jul 13 07:46:43 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 26.168 27.566 9.442 1.00 0.00 ATOM 2 CA MET 1 26.389 27.091 8.080 1.00 0.00 ATOM 3 CB MET 1 26.299 28.255 7.094 1.00 0.00 ATOM 4 CG MET 1 24.930 28.915 7.022 1.00 0.00 ATOM 5 SD MET 1 23.624 27.758 6.564 1.00 0.00 ATOM 6 CE MET 1 24.051 27.423 4.858 1.00 0.00 ATOM 7 O MET 1 27.755 25.489 7.038 1.00 0.00 ATOM 8 C MET 1 27.722 26.378 7.859 1.00 0.00 ATOM 9 N ASN 2 28.812 26.753 8.512 1.00 0.00 ATOM 10 CA ASN 2 30.067 26.039 8.210 1.00 0.00 ATOM 11 CB ASN 2 31.268 26.961 8.306 1.00 0.00 ATOM 12 CG ASN 2 31.331 27.991 7.214 1.00 0.00 ATOM 13 ND2 ASN 2 32.025 29.065 7.488 1.00 0.00 ATOM 14 OD1 ASN 2 30.818 27.783 6.107 1.00 0.00 ATOM 15 O ASN 2 31.056 23.913 8.758 1.00 0.00 ATOM 16 C ASN 2 30.311 24.808 9.107 1.00 0.00 ATOM 17 N SER 3 29.405 24.619 10.064 1.00 0.00 ATOM 18 CA SER 3 29.451 23.407 10.898 1.00 0.00 ATOM 19 CB SER 3 28.549 23.571 12.106 1.00 0.00 ATOM 20 OG SER 3 28.796 22.598 13.083 1.00 0.00 ATOM 21 O SER 3 29.424 21.064 10.572 1.00 0.00 ATOM 22 C SER 3 29.062 22.150 10.155 1.00 0.00 ATOM 23 N LEU 4 28.269 22.320 9.100 1.00 0.00 ATOM 24 CA LEU 4 27.921 21.191 8.236 1.00 0.00 ATOM 25 CB LEU 4 27.000 21.660 7.096 1.00 0.00 ATOM 26 CG LEU 4 27.637 22.649 6.086 1.00 0.00 ATOM 27 CD1 LEU 4 28.444 21.927 5.026 1.00 0.00 ATOM 28 CD2 LEU 4 26.661 23.472 5.272 1.00 0.00 ATOM 29 O LEU 4 29.078 19.448 7.073 1.00 0.00 ATOM 30 C LEU 4 29.180 20.523 7.643 1.00 0.00 ATOM 31 N ALA 5 30.224 21.341 7.481 1.00 0.00 ATOM 32 CA ALA 5 31.416 20.961 6.714 1.00 0.00 ATOM 33 CB ALA 5 31.724 22.010 5.648 1.00 0.00 ATOM 34 O ALA 5 33.538 19.924 7.169 1.00 0.00 ATOM 35 C ALA 5 32.693 20.738 7.527 1.00 0.00 ATOM 36 N GLY 6 32.816 21.440 8.642 1.00 0.00 ATOM 37 CA GLY 6 34.043 21.377 9.433 1.00 0.00 ATOM 38 O GLY 6 33.012 23.033 10.819 1.00 0.00 ATOM 39 C GLY 6 33.934 22.230 10.682 1.00 0.00 ATOM 40 N ILE 7 35.001 22.177 11.460 1.00 0.00 ATOM 41 CA ILE 7 35.051 22.881 12.754 1.00 0.00 ATOM 42 CB ILE 7 35.242 21.872 13.898 1.00 0.00 ATOM 43 CG1 ILE 7 36.574 21.129 13.737 1.00 0.00 ATOM 44 CG2 ILE 7 34.050 20.914 13.968 1.00 0.00 ATOM 45 CD1 ILE 7 36.864 20.282 14.970 1.00 0.00 ATOM 46 O ILE 7 36.585 24.351 13.873 1.00 0.00 ATOM 47 C ILE 7 36.182 23.930 12.791 1.00 0.00 ATOM 48 N ASP 8 36.541 24.427 11.621 1.00 0.00 ATOM 49 CA ASP 8 37.604 25.435 11.508 1.00 0.00 ATOM 50 CB ASP 8 37.898 25.741 10.037 1.00 0.00 ATOM 51 CG ASP 8 38.641 24.635 9.300 1.00 0.00 ATOM 52 OD1 ASP 8 39.131 23.741 9.949 1.00 0.00 ATOM 53 OD2 ASP 8 38.579 24.607 8.094 1.00 0.00 ATOM 54 O ASP 8 38.136 27.457 12.735 1.00 0.00 ATOM 55 C ASP 8 37.284 26.743 12.229 1.00 0.00 ATOM 56 N MET 9 35.982 26.975 12.336 1.00 0.00 ATOM 57 CA MET 9 35.412 28.133 13.045 1.00 0.00 ATOM 58 CB MET 9 34.108 28.569 12.380 1.00 0.00 ATOM 59 CG MET 9 34.262 29.053 10.945 1.00 0.00 ATOM 60 SD MET 9 35.400 30.445 10.800 1.00 0.00 ATOM 61 CE MET 9 34.476 31.726 11.644 1.00 0.00 ATOM 62 O MET 9 34.817 28.807 15.258 1.00 0.00 ATOM 63 C MET 9 35.148 27.879 14.533 1.00 0.00 ATOM 64 N GLY 10 35.040 26.603 14.905 1.00 0.00 ATOM 65 CA GLY 10 34.708 26.208 16.294 1.00 0.00 ATOM 66 O GLY 10 32.706 25.724 17.577 1.00 0.00 ATOM 67 C GLY 10 33.224 25.862 16.464 1.00 0.00 ATOM 68 N ARG 11 32.592 25.560 15.337 1.00 0.00 ATOM 69 CA ARG 11 31.202 25.092 15.309 1.00 0.00 ATOM 70 CB ARG 11 30.490 25.482 14.023 1.00 0.00 ATOM 71 CG ARG 11 30.448 26.976 13.743 1.00 0.00 ATOM 72 CD ARG 11 29.747 27.344 12.486 1.00 0.00 ATOM 73 NE ARG 11 29.718 28.771 12.208 1.00 0.00 ATOM 74 CZ ARG 11 28.847 29.641 12.756 1.00 0.00 ATOM 75 NH1 ARG 11 27.909 29.229 13.581 1.00 0.00 ATOM 76 NH2 ARG 11 28.944 30.915 12.424 1.00 0.00 ATOM 77 O ARG 11 32.160 22.880 15.288 1.00 0.00 ATOM 78 C ARG 11 31.206 23.584 15.565 1.00 0.00 ATOM 79 N ILE 12 30.078 23.181 16.081 1.00 0.00 ATOM 80 CA ILE 12 29.748 21.867 16.620 1.00 0.00 ATOM 81 CB ILE 12 29.953 21.813 18.145 1.00 0.00 ATOM 82 CG1 ILE 12 29.703 20.396 18.668 1.00 0.00 ATOM 83 CG2 ILE 12 29.038 22.810 18.840 1.00 0.00 ATOM 84 CD1 ILE 12 30.657 19.363 18.113 1.00 0.00 ATOM 85 O ILE 12 27.523 22.736 16.325 1.00 0.00 ATOM 86 C ILE 12 28.295 21.793 16.137 1.00 0.00 ATOM 87 N LEU 13 27.893 20.688 15.562 1.00 0.00 ATOM 88 CA LEU 13 26.477 20.497 15.312 1.00 0.00 ATOM 89 CB LEU 13 26.689 19.952 13.911 1.00 0.00 ATOM 90 CG LEU 13 25.571 19.334 13.099 1.00 0.00 ATOM 91 CD1 LEU 13 25.091 18.001 13.635 1.00 0.00 ATOM 92 CD2 LEU 13 24.470 20.327 13.211 1.00 0.00 ATOM 93 O LEU 13 26.594 18.540 16.654 1.00 0.00 ATOM 94 C LEU 13 25.929 19.538 16.383 1.00 0.00 ATOM 95 N LEU 14 24.779 19.846 16.992 1.00 0.00 ATOM 96 CA LEU 14 24.132 18.947 17.981 1.00 0.00 ATOM 97 CB LEU 14 24.108 19.611 19.364 1.00 0.00 ATOM 98 CG LEU 14 25.280 19.245 20.283 1.00 0.00 ATOM 99 CD1 LEU 14 26.450 20.187 20.037 1.00 0.00 ATOM 100 CD2 LEU 14 24.828 19.315 21.735 1.00 0.00 ATOM 101 O LEU 14 22.060 19.428 16.902 1.00 0.00 ATOM 102 C LEU 14 22.729 18.594 17.522 1.00 0.00 ATOM 103 N ASP 15 22.249 17.490 18.076 1.00 0.00 ATOM 104 CA ASP 15 20.841 17.120 17.927 1.00 0.00 ATOM 105 CB ASP 15 20.715 15.731 17.298 1.00 0.00 ATOM 106 CG ASP 15 19.283 15.291 17.024 1.00 0.00 ATOM 107 OD1 ASP 15 18.382 16.000 17.406 1.00 0.00 ATOM 108 OD2 ASP 15 19.102 14.339 16.303 1.00 0.00 ATOM 109 O ASP 15 20.623 16.565 20.260 1.00 0.00 ATOM 110 C ASP 15 20.149 17.165 19.286 1.00 0.00 ATOM 111 N LEU 16 19.069 17.927 19.341 1.00 0.00 ATOM 112 CA LEU 16 18.269 17.991 20.577 1.00 0.00 ATOM 113 CB LEU 16 18.264 19.421 21.131 1.00 0.00 ATOM 114 CG LEU 16 19.641 19.984 21.501 1.00 0.00 ATOM 115 CD1 LEU 16 19.516 21.444 21.912 1.00 0.00 ATOM 116 CD2 LEU 16 20.245 19.156 22.625 1.00 0.00 ATOM 117 O LEU 16 16.229 17.880 19.296 1.00 0.00 ATOM 118 C LEU 16 16.863 17.499 20.270 1.00 0.00 ATOM 119 N SER 17 16.408 16.609 21.142 1.00 0.00 ATOM 120 CA SER 17 15.040 16.079 21.016 1.00 0.00 ATOM 121 CB SER 17 14.771 15.061 22.107 1.00 0.00 ATOM 122 OG SER 17 15.636 13.961 22.026 1.00 0.00 ATOM 123 O SER 17 14.361 18.306 21.662 1.00 0.00 ATOM 124 C SER 17 14.060 17.261 21.078 1.00 0.00 ATOM 125 N ASN 18 12.899 17.076 20.481 1.00 0.00 ATOM 126 CA ASN 18 11.911 18.176 20.403 1.00 0.00 ATOM 127 CB ASN 18 10.678 17.760 19.623 1.00 0.00 ATOM 128 CG ASN 18 10.907 17.654 18.140 1.00 0.00 ATOM 129 ND2 ASN 18 9.988 17.005 17.472 1.00 0.00 ATOM 130 OD1 ASN 18 11.865 18.217 17.599 1.00 0.00 ATOM 131 O ASN 18 11.408 19.913 21.977 1.00 0.00 ATOM 132 C ASN 18 11.480 18.701 21.761 1.00 0.00 ATOM 133 N GLU 19 11.344 17.781 22.709 1.00 0.00 ATOM 134 CA GLU 19 10.962 18.155 24.079 1.00 0.00 ATOM 135 CB GLU 19 10.586 16.913 24.889 1.00 0.00 ATOM 136 CG GLU 19 9.280 16.257 24.463 1.00 0.00 ATOM 137 CD GLU 19 9.036 14.982 25.223 1.00 0.00 ATOM 138 OE1 GLU 19 9.884 14.600 25.992 1.00 0.00 ATOM 139 OE2 GLU 19 7.955 14.451 25.120 1.00 0.00 ATOM 140 O GLU 19 11.822 19.949 25.424 1.00 0.00 ATOM 141 C GLU 19 12.081 18.922 24.799 1.00 0.00 ATOM 142 N VAL 20 13.325 18.518 24.553 1.00 0.00 ATOM 143 CA VAL 20 14.508 19.252 25.075 1.00 0.00 ATOM 144 CB VAL 20 15.820 18.520 24.739 1.00 0.00 ATOM 145 CG1 VAL 20 17.020 19.381 25.107 1.00 0.00 ATOM 146 CG2 VAL 20 15.885 17.183 25.463 1.00 0.00 ATOM 147 O VAL 20 14.818 21.643 25.215 1.00 0.00 ATOM 148 C VAL 20 14.548 20.686 24.490 1.00 0.00 ATOM 149 N ILE 21 14.209 20.823 23.213 1.00 0.00 ATOM 150 CA ILE 21 14.181 22.146 22.549 1.00 0.00 ATOM 151 CB ILE 21 13.855 22.051 21.044 1.00 0.00 ATOM 152 CG1 ILE 21 15.016 21.342 20.320 1.00 0.00 ATOM 153 CG2 ILE 21 13.586 23.424 20.405 1.00 0.00 ATOM 154 CD1 ILE 21 14.648 20.867 18.919 1.00 0.00 ATOM 155 O ILE 21 13.567 24.227 23.547 1.00 0.00 ATOM 156 C ILE 21 13.200 23.104 23.243 1.00 0.00 ATOM 157 N LYS 22 12.005 22.589 23.529 1.00 0.00 ATOM 158 CA LYS 22 10.966 23.426 24.144 1.00 0.00 ATOM 159 CB LYS 22 9.650 22.654 24.252 1.00 0.00 ATOM 160 CG LYS 22 8.962 22.394 22.919 1.00 0.00 ATOM 161 CD LYS 22 7.663 21.625 23.108 1.00 0.00 ATOM 162 CE LYS 22 6.989 21.340 21.774 1.00 0.00 ATOM 163 NZ LYS 22 5.731 20.562 21.941 1.00 0.00 ATOM 164 O LYS 22 11.251 25.133 25.801 1.00 0.00 ATOM 165 C LYS 22 11.364 23.940 25.525 1.00 0.00 ATOM 166 N GLN 23 11.981 23.068 26.324 1.00 0.00 ATOM 167 CA GLN 23 12.480 23.471 27.658 1.00 0.00 ATOM 168 CB GLN 23 13.032 22.259 28.413 1.00 0.00 ATOM 169 CG GLN 23 11.969 21.271 28.865 1.00 0.00 ATOM 170 CD GLN 23 12.566 20.028 29.497 1.00 0.00 ATOM 171 OE1 GLN 23 13.788 19.853 29.522 1.00 0.00 ATOM 172 NE2 GLN 23 11.707 19.155 30.009 1.00 0.00 ATOM 173 O GLN 23 13.561 25.507 28.345 1.00 0.00 ATOM 174 C GLN 23 13.562 24.539 27.585 1.00 0.00 ATOM 175 N LEU 24 14.507 24.329 26.662 1.00 0.00 ATOM 176 CA LEU 24 15.591 25.295 26.449 1.00 0.00 ATOM 177 CB LEU 24 16.624 24.726 25.467 1.00 0.00 ATOM 178 CG LEU 24 17.700 23.832 26.097 1.00 0.00 ATOM 179 CD1 LEU 24 17.072 22.914 27.138 1.00 0.00 ATOM 180 CD2 LEU 24 18.390 23.023 25.009 1.00 0.00 ATOM 181 O LEU 24 15.644 27.675 26.395 1.00 0.00 ATOM 182 C LEU 24 15.121 26.651 25.937 1.00 0.00 ATOM 183 N ASP 25 14.053 26.634 25.140 1.00 0.00 ATOM 184 CA ASP 25 13.453 27.869 24.617 1.00 0.00 ATOM 185 CB ASP 25 12.283 27.544 23.685 1.00 0.00 ATOM 186 CG ASP 25 12.695 26.971 22.335 1.00 0.00 ATOM 187 OD1 ASP 25 13.858 27.033 22.016 1.00 0.00 ATOM 188 OD2 ASP 25 11.879 26.339 21.708 1.00 0.00 ATOM 189 O ASP 25 13.404 29.902 25.906 1.00 0.00 ATOM 190 C ASP 25 12.995 28.751 25.781 1.00 0.00 ATOM 191 N ASP 26 12.319 28.112 26.727 1.00 0.00 ATOM 192 CA ASP 26 11.801 28.815 27.912 1.00 0.00 ATOM 193 CB ASP 26 11.006 27.825 28.749 1.00 0.00 ATOM 194 CG ASP 26 9.676 27.380 28.123 1.00 0.00 ATOM 195 OD1 ASP 26 9.201 28.040 27.178 1.00 0.00 ATOM 196 OD2 ASP 26 9.137 26.355 28.595 1.00 0.00 ATOM 197 O ASP 26 12.914 30.636 29.041 1.00 0.00 ATOM 198 C ASP 26 12.908 29.433 28.763 1.00 0.00 ATOM 199 N LEU 27 13.923 28.614 29.008 1.00 0.00 ATOM 200 CA LEU 27 15.101 29.021 29.783 1.00 0.00 ATOM 201 CB LEU 27 16.047 27.829 29.973 1.00 0.00 ATOM 202 CG LEU 27 17.204 28.064 30.955 1.00 0.00 ATOM 203 CD1 LEU 27 16.657 28.365 32.343 1.00 0.00 ATOM 204 CD2 LEU 27 18.103 26.837 30.983 1.00 0.00 ATOM 205 O LEU 27 16.223 31.150 29.828 1.00 0.00 ATOM 206 C LEU 27 15.873 30.184 29.143 1.00 0.00 ATOM 207 N GLU 28 16.054 30.090 27.826 1.00 0.00 ATOM 208 CA GLU 28 16.767 31.131 27.057 1.00 0.00 ATOM 209 CB GLU 28 17.149 30.666 25.648 1.00 0.00 ATOM 210 CG GLU 28 16.128 30.855 24.519 1.00 0.00 ATOM 211 CD GLU 28 16.759 30.530 23.162 1.00 0.00 ATOM 212 OE1 GLU 28 17.439 31.424 22.614 1.00 0.00 ATOM 213 OE2 GLU 28 16.596 29.395 22.681 1.00 0.00 ATOM 214 O GLU 28 16.566 33.513 27.269 1.00 0.00 ATOM 215 C GLU 28 15.989 32.451 27.020 1.00 0.00 ATOM 216 N VAL 29 14.671 32.352 26.900 1.00 0.00 ATOM 217 CA VAL 29 13.781 33.533 26.914 1.00 0.00 ATOM 218 CB VAL 29 12.318 33.142 26.631 1.00 0.00 ATOM 219 CG1 VAL 29 11.398 34.336 26.843 1.00 0.00 ATOM 220 CG2 VAL 29 12.175 32.605 25.215 1.00 0.00 ATOM 221 O VAL 29 14.020 35.457 28.338 1.00 0.00 ATOM 222 C VAL 29 13.880 34.237 28.268 1.00 0.00 ATOM 223 N GLN 30 13.873 33.428 29.317 1.00 0.00 ATOM 224 CA GLN 30 13.931 33.912 30.703 1.00 0.00 ATOM 225 CB GLN 30 13.739 32.753 31.684 1.00 0.00 ATOM 226 CG GLN 30 13.646 33.178 33.139 1.00 0.00 ATOM 227 CD GLN 30 12.444 34.062 33.408 1.00 0.00 ATOM 228 OE1 GLN 30 11.331 33.777 32.955 1.00 0.00 ATOM 229 NE2 GLN 30 12.659 35.146 34.146 1.00 0.00 ATOM 230 O GLN 30 15.265 35.573 31.837 1.00 0.00 ATOM 231 C GLN 30 15.236 34.624 31.046 1.00 0.00 ATOM 232 N ARG 31 16.325 34.137 30.469 1.00 0.00 ATOM 233 CA ARG 31 17.631 34.719 30.754 1.00 0.00 ATOM 234 CB ARG 31 18.678 33.658 31.061 1.00 0.00 ATOM 235 CG ARG 31 18.419 32.849 32.322 1.00 0.00 ATOM 236 CD ARG 31 19.418 31.782 32.581 1.00 0.00 ATOM 237 NE ARG 31 20.762 32.266 32.850 1.00 0.00 ATOM 238 CZ ARG 31 21.216 32.629 34.065 1.00 0.00 ATOM 239 NH1 ARG 31 20.429 32.601 35.118 1.00 0.00 ATOM 240 NH2 ARG 31 22.469 33.038 34.168 1.00 0.00 ATOM 241 O ARG 31 19.170 36.246 29.712 1.00 0.00 ATOM 242 C ARG 31 18.101 35.656 29.611 1.00 0.00 ATOM 243 N ASN 32 17.206 36.007 28.673 1.00 0.00 ATOM 244 CA ASN 32 17.525 36.946 27.568 1.00 0.00 ATOM 245 CB ASN 32 17.755 38.354 28.085 1.00 0.00 ATOM 246 CG ASN 32 16.520 39.001 28.649 1.00 0.00 ATOM 247 ND2 ASN 32 16.730 39.964 29.509 1.00 0.00 ATOM 248 OD1 ASN 32 15.393 38.683 28.254 1.00 0.00 ATOM 249 O ASN 32 19.614 37.291 26.388 1.00 0.00 ATOM 250 C ASN 32 18.748 36.496 26.742 1.00 0.00 ATOM 251 N LEU 33 18.849 35.184 26.568 1.00 0.00 ATOM 252 CA LEU 33 19.990 34.575 25.862 1.00 0.00 ATOM 253 CB LEU 33 20.675 33.513 26.734 1.00 0.00 ATOM 254 CG LEU 33 21.255 34.056 28.038 1.00 0.00 ATOM 255 CD1 LEU 33 21.821 32.874 28.810 1.00 0.00 ATOM 256 CD2 LEU 33 22.360 35.083 27.795 1.00 0.00 ATOM 257 O LEU 33 18.460 33.333 24.530 1.00 0.00 ATOM 258 C LEU 33 19.570 33.862 24.583 1.00 0.00 ATOM 259 N PRO 34 20.436 33.870 23.556 1.00 0.00 ATOM 260 CA PRO 34 20.284 32.978 22.393 1.00 0.00 ATOM 261 CB PRO 34 21.460 33.347 21.468 1.00 0.00 ATOM 262 CG PRO 34 21.815 34.771 21.869 1.00 0.00 ATOM 263 CD PRO 34 21.570 34.797 23.375 1.00 0.00 ATOM 264 O PRO 34 21.169 31.303 23.875 1.00 0.00 ATOM 265 C PRO 34 20.455 31.543 22.901 1.00 0.00 ATOM 266 N ARG 35 20.017 30.585 22.084 1.00 0.00 ATOM 267 CA ARG 35 20.110 29.169 22.460 1.00 0.00 ATOM 268 CB ARG 35 19.352 28.268 21.496 1.00 0.00 ATOM 269 CG ARG 35 19.011 26.891 22.042 1.00 0.00 ATOM 270 CD ARG 35 18.194 26.054 21.126 1.00 0.00 ATOM 271 NE ARG 35 16.906 26.630 20.773 1.00 0.00 ATOM 272 CZ ARG 35 16.609 27.159 19.570 1.00 0.00 ATOM 273 NH1 ARG 35 17.511 27.224 18.617 1.00 0.00 ATOM 274 NH2 ARG 35 15.390 27.635 19.382 1.00 0.00 ATOM 275 O ARG 35 21.981 28.098 23.542 1.00 0.00 ATOM 276 C ARG 35 21.577 28.769 22.598 1.00 0.00 ATOM 277 N ALA 36 22.392 29.359 21.725 1.00 0.00 ATOM 278 CA ALA 36 23.852 29.177 21.740 1.00 0.00 ATOM 279 CB ALA 36 24.481 29.965 20.601 1.00 0.00 ATOM 280 O ALA 36 25.130 28.766 23.715 1.00 0.00 ATOM 281 C ALA 36 24.511 29.590 23.056 1.00 0.00 ATOM 282 N ASP 37 24.256 30.835 23.439 1.00 0.00 ATOM 283 CA ASP 37 24.817 31.397 24.673 1.00 0.00 ATOM 284 CB ASP 37 24.504 32.892 24.772 1.00 0.00 ATOM 285 CG ASP 37 25.303 33.767 23.815 1.00 0.00 ATOM 286 OD1 ASP 37 26.251 33.280 23.247 1.00 0.00 ATOM 287 OD2 ASP 37 24.870 34.860 23.541 1.00 0.00 ATOM 288 O ASP 37 25.123 30.248 26.730 1.00 0.00 ATOM 289 C ASP 37 24.306 30.691 25.922 1.00 0.00 ATOM 290 N LEU 38 23.026 30.321 25.875 1.00 0.00 ATOM 291 CA LEU 38 22.398 29.584 26.983 1.00 0.00 ATOM 292 CB LEU 38 20.891 29.443 26.741 1.00 0.00 ATOM 293 CG LEU 38 20.162 28.756 27.906 1.00 0.00 ATOM 294 CD1 LEU 38 19.864 29.708 29.062 1.00 0.00 ATOM 295 CD2 LEU 38 18.899 28.072 27.393 1.00 0.00 ATOM 296 O LEU 38 23.436 27.816 28.239 1.00 0.00 ATOM 297 C LEU 38 23.024 28.195 27.138 1.00 0.00 ATOM 298 N LEU 39 23.171 27.473 26.028 1.00 0.00 ATOM 299 CA LEU 39 23.770 26.132 26.041 1.00 0.00 ATOM 300 CB LEU 39 23.702 25.508 24.642 1.00 0.00 ATOM 301 CG LEU 39 22.529 24.545 24.413 1.00 0.00 ATOM 302 CD1 LEU 39 21.282 25.067 25.114 1.00 0.00 ATOM 303 CD2 LEU 39 22.282 24.391 22.919 1.00 0.00 ATOM 304 O LEU 39 25.597 25.384 27.409 1.00 0.00 ATOM 305 C LEU 39 25.222 26.166 26.534 1.00 0.00 ATOM 306 N ARG 40 25.962 27.119 25.996 1.00 0.00 ATOM 307 CA ARG 40 27.376 27.312 26.367 1.00 0.00 ATOM 308 CB ARG 40 28.059 28.360 25.501 1.00 0.00 ATOM 309 CG ARG 40 29.540 28.558 25.785 1.00 0.00 ATOM 310 CD ARG 40 30.125 29.773 25.163 1.00 0.00 ATOM 311 NE ARG 40 29.544 31.025 25.621 1.00 0.00 ATOM 312 CZ ARG 40 28.685 31.777 24.906 1.00 0.00 ATOM 313 NH1 ARG 40 28.334 31.432 23.687 1.00 0.00 ATOM 314 NH2 ARG 40 28.223 32.887 25.453 1.00 0.00 ATOM 315 O ARG 40 28.331 27.003 28.546 1.00 0.00 ATOM 316 C ARG 40 27.533 27.637 27.856 1.00 0.00 ATOM 317 N GLU 41 26.665 28.503 28.373 1.00 0.00 ATOM 318 CA GLU 41 26.662 28.858 29.800 1.00 0.00 ATOM 319 CB GLU 41 25.641 29.964 30.075 1.00 0.00 ATOM 320 CG GLU 41 25.584 30.421 31.525 1.00 0.00 ATOM 321 CD GLU 41 24.413 31.332 31.766 1.00 0.00 ATOM 322 OE1 GLU 41 23.308 30.935 31.486 1.00 0.00 ATOM 323 OE2 GLU 41 24.609 32.381 32.333 1.00 0.00 ATOM 324 O GLU 41 27.051 27.398 31.682 1.00 0.00 ATOM 325 C GLU 41 26.367 27.658 30.698 1.00 0.00 ATOM 326 N ALA 42 25.393 26.864 30.260 1.00 0.00 ATOM 327 CA ALA 42 24.970 25.642 30.966 1.00 0.00 ATOM 328 CB ALA 42 23.751 25.076 30.263 1.00 0.00 ATOM 329 O ALA 42 26.422 24.082 32.066 1.00 0.00 ATOM 330 C ALA 42 26.099 24.611 31.005 1.00 0.00 ATOM 331 N VAL 43 26.767 24.419 29.868 1.00 0.00 ATOM 332 CA VAL 43 27.917 23.487 29.816 1.00 0.00 ATOM 333 CB VAL 43 28.441 23.315 28.378 1.00 0.00 ATOM 334 CG1 VAL 43 29.736 22.515 28.375 1.00 0.00 ATOM 335 CG2 VAL 43 27.395 22.638 27.506 1.00 0.00 ATOM 336 O VAL 43 29.600 23.122 31.477 1.00 0.00 ATOM 337 C VAL 43 29.084 23.935 30.700 1.00 0.00 ATOM 338 N ASP 44 29.365 25.234 30.681 1.00 0.00 ATOM 339 CA ASP 44 30.422 25.812 31.522 1.00 0.00 ATOM 340 CB ASP 44 30.625 27.292 31.189 1.00 0.00 ATOM 341 CG ASP 44 31.315 27.548 29.855 1.00 0.00 ATOM 342 OD1 ASP 44 31.846 26.617 29.295 1.00 0.00 ATOM 343 OD2 ASP 44 31.173 28.627 29.333 1.00 0.00 ATOM 344 O ASP 44 30.905 25.125 33.788 1.00 0.00 ATOM 345 C ASP 44 30.098 25.648 33.019 1.00 0.00 ATOM 346 N GLN 45 28.823 25.863 33.346 1.00 0.00 ATOM 347 CA GLN 45 28.311 25.698 34.720 1.00 0.00 ATOM 348 CB GLN 45 26.848 26.141 34.804 1.00 0.00 ATOM 349 CG GLN 45 26.269 26.116 36.207 1.00 0.00 ATOM 350 CD GLN 45 26.967 27.086 37.141 1.00 0.00 ATOM 351 OE1 GLN 45 27.210 28.243 36.787 1.00 0.00 ATOM 352 NE2 GLN 45 27.299 26.619 38.339 1.00 0.00 ATOM 353 O GLN 45 28.813 24.004 36.336 1.00 0.00 ATOM 354 C GLN 45 28.432 24.253 35.197 1.00 0.00 ATOM 355 N TYR 46 28.135 23.323 34.292 1.00 0.00 ATOM 356 CA TYR 46 28.249 21.896 34.579 1.00 0.00 ATOM 357 CB TYR 46 27.719 21.070 33.405 1.00 0.00 ATOM 358 CG TYR 46 27.620 19.589 33.693 1.00 0.00 ATOM 359 CD1 TYR 46 26.719 19.103 34.630 1.00 0.00 ATOM 360 CD2 TYR 46 28.426 18.679 33.025 1.00 0.00 ATOM 361 CE1 TYR 46 26.624 17.751 34.896 1.00 0.00 ATOM 362 CE2 TYR 46 28.341 17.324 33.284 1.00 0.00 ATOM 363 CZ TYR 46 27.437 16.864 34.221 1.00 0.00 ATOM 364 OH TYR 46 27.347 15.517 34.481 1.00 0.00 ATOM 365 O TYR 46 29.957 20.878 35.927 1.00 0.00 ATOM 366 C TYR 46 29.684 21.478 34.886 1.00 0.00 ATOM 367 N LEU 47 30.559 21.908 33.996 1.00 0.00 ATOM 368 CA LEU 47 31.997 21.668 34.151 1.00 0.00 ATOM 369 CB LEU 47 32.687 22.214 32.896 1.00 0.00 ATOM 370 CG LEU 47 34.206 22.153 32.971 1.00 0.00 ATOM 371 CD1 LEU 47 34.701 20.725 33.204 1.00 0.00 ATOM 372 CD2 LEU 47 34.797 22.789 31.724 1.00 0.00 ATOM 373 O LEU 47 33.476 21.706 36.055 1.00 0.00 ATOM 374 C LEU 47 32.577 22.280 35.434 1.00 0.00 ATOM 375 N ILE 48 32.032 23.425 35.814 1.00 0.00 ATOM 376 CA ILE 48 32.472 24.097 37.044 1.00 0.00 ATOM 377 CB ILE 48 32.312 25.626 36.941 1.00 0.00 ATOM 378 CG1 ILE 48 33.254 26.191 35.877 1.00 0.00 ATOM 379 CG2 ILE 48 32.572 26.278 38.290 1.00 0.00 ATOM 380 CD1 ILE 48 32.983 27.637 35.529 1.00 0.00 ATOM 381 O ILE 48 32.324 23.842 39.415 1.00 0.00 ATOM 382 C ILE 48 31.761 23.672 38.337 1.00 0.00 ATOM 383 N ASN 49 30.542 23.162 38.263 1.00 0.00 ATOM 384 CA ASN 49 29.833 22.635 39.427 1.00 0.00 ATOM 385 CB ASN 49 28.357 22.991 39.387 1.00 0.00 ATOM 386 CG ASN 49 27.597 22.558 40.609 1.00 0.00 ATOM 387 ND2 ASN 49 26.427 23.120 40.775 1.00 0.00 ATOM 388 OD1 ASN 49 28.030 21.671 41.353 1.00 0.00 ATOM 389 O ASN 49 29.564 20.397 38.606 1.00 0.00 ATOM 390 C ASN 49 30.071 21.135 39.447 1.00 0.00 ATOM 391 N GLN 50 30.886 20.704 40.375 1.00 0.00 ATOM 392 CA GLN 50 31.174 19.273 40.364 1.00 0.00 ATOM 393 CB GLN 50 32.696 19.271 40.279 1.00 0.00 ATOM 394 CG GLN 50 33.289 19.456 38.886 1.00 0.00 ATOM 395 CD GLN 50 34.819 19.564 38.899 1.00 0.00 ATOM 396 OE1 GLN 50 35.533 19.433 39.882 1.00 0.00 ATOM 397 NE2 GLN 50 35.347 20.012 37.793 1.00 0.00 ATOM 398 O GLN 50 30.326 17.215 41.383 1.00 0.00 ATOM 399 C GLN 50 30.367 18.445 41.400 1.00 0.00 ATOM 400 N SER 51 29.545 19.164 42.170 1.00 0.00 ATOM 401 CA SER 51 28.362 18.663 42.926 1.00 0.00 ATOM 402 CB SER 51 27.435 17.736 42.111 1.00 0.00 ATOM 403 OG SER 51 26.843 18.455 41.024 1.00 0.00 ATOM 404 O SER 51 28.374 18.728 45.306 1.00 0.00 ATOM 405 C SER 51 28.650 18.057 44.307 1.00 0.00 ATOM 406 N GLN 52 29.158 16.827 44.328 1.00 0.00 ATOM 407 CA GLN 52 29.318 16.029 45.550 1.00 0.00 ATOM 408 CB GLN 52 28.933 14.586 45.178 1.00 0.00 ATOM 409 CG GLN 52 27.521 14.492 44.637 1.00 0.00 ATOM 410 CD GLN 52 27.092 13.040 44.475 1.00 0.00 ATOM 411 OE1 GLN 52 27.800 12.194 43.945 1.00 0.00 ATOM 412 NE2 GLN 52 25.847 12.815 44.777 1.00 0.00 ATOM 413 O GLN 52 31.195 17.217 46.457 1.00 0.00 ATOM 414 C GLN 52 30.760 16.143 46.062 1.00 0.00 ATOM 415 N THR 53 31.566 15.178 45.635 1.00 0.00 ATOM 416 CA THR 53 33.012 15.149 45.928 1.00 0.00 ATOM 417 CB THR 53 33.649 13.873 45.392 1.00 0.00 ATOM 418 CG2 THR 53 33.037 12.651 46.085 1.00 0.00 ATOM 419 OG1 THR 53 33.462 13.828 43.979 1.00 0.00 ATOM 420 O THR 53 34.674 16.887 45.886 1.00 0.00 ATOM 421 C THR 53 33.733 16.352 45.317 1.00 0.00 ATOM 422 N ALA 54 33.140 16.922 44.281 1.00 0.00 ATOM 423 CA ALA 54 33.831 18.035 43.651 1.00 0.00 ATOM 424 CB ALA 54 34.102 17.430 42.291 1.00 0.00 ATOM 425 O ALA 54 33.568 20.442 43.381 1.00 0.00 ATOM 426 C ALA 54 33.139 19.408 43.855 1.00 0.00 ATOM 427 N ARG 55 32.302 19.439 44.892 1.00 0.00 ATOM 428 CA ARG 55 31.714 20.686 45.439 1.00 0.00 ATOM 429 CB ARG 55 30.611 20.405 46.449 1.00 0.00 ATOM 430 CG ARG 55 29.838 21.630 46.908 1.00 0.00 ATOM 431 CD ARG 55 28.744 21.340 47.869 1.00 0.00 ATOM 432 NE ARG 55 27.631 20.591 47.307 1.00 0.00 ATOM 433 CZ ARG 55 26.624 21.135 46.597 1.00 0.00 ATOM 434 NH1 ARG 55 26.563 22.433 46.392 1.00 0.00 ATOM 435 NH2 ARG 55 25.683 20.332 46.131 1.00 0.00 ATOM 436 O ARG 55 32.668 22.831 45.982 1.00 0.00 ATOM 437 C ARG 55 32.796 21.611 46.037 1.00 0.00 ATOM 438 N THR 56 33.867 21.015 46.550 1.00 0.00 ATOM 439 CA THR 56 34.999 21.790 47.111 1.00 0.00 ATOM 440 CB THR 56 35.972 20.886 47.891 1.00 0.00 ATOM 441 CG2 THR 56 35.257 20.206 49.048 1.00 0.00 ATOM 442 OG1 THR 56 36.508 19.888 47.013 1.00 0.00 ATOM 443 O THR 56 36.563 23.460 46.348 1.00 0.00 ATOM 444 C THR 56 35.817 22.548 46.056 1.00 0.00 ATOM 445 N SER 57 35.727 22.115 44.798 1.00 0.00 ATOM 446 CA SER 57 36.415 22.833 43.712 1.00 0.00 ATOM 447 CB SER 57 36.733 21.900 42.536 1.00 0.00 ATOM 448 OG SER 57 35.523 21.564 41.860 1.00 0.00 ATOM 449 O SER 57 36.079 24.779 42.336 1.00 0.00 ATOM 450 C SER 57 35.624 24.048 43.206 1.00 0.00 ATOM 451 N VAL 58 34.386 24.215 43.675 1.00 0.00 ATOM 452 CA VAL 58 33.574 25.351 43.240 1.00 0.00 ATOM 453 CB VAL 58 32.086 25.041 43.109 1.00 0.00 ATOM 454 CG1 VAL 58 31.428 26.235 42.416 1.00 0.00 ATOM 455 CG2 VAL 58 31.828 23.773 42.298 1.00 0.00 ATOM 456 O VAL 58 33.441 26.473 45.366 1.00 0.00 ATOM 457 C VAL 58 33.800 26.541 44.181 1.00 0.00 ATOM 458 N PRO 59 34.231 27.664 43.606 1.00 0.00 ATOM 459 CA PRO 59 34.300 28.932 44.354 1.00 0.00 ATOM 460 CB PRO 59 35.471 29.654 43.735 1.00 0.00 ATOM 461 CG PRO 59 35.443 29.169 42.290 1.00 0.00 ATOM 462 CD PRO 59 35.100 27.691 42.420 1.00 0.00 ATOM 463 O PRO 59 32.666 30.394 45.323 1.00 0.00 ATOM 464 C PRO 59 33.062 29.843 44.295 1.00 0.00 ATOM 465 N GLY 60 32.461 29.941 43.104 1.00 0.00 ATOM 466 CA GLY 60 31.275 30.780 42.856 1.00 0.00 ATOM 467 O GLY 60 29.412 31.257 44.311 1.00 0.00 ATOM 468 C GLY 60 30.100 30.391 43.771 1.00 0.00 ATOM 469 N ILE 61 29.984 29.094 44.053 1.00 0.00 ATOM 470 CA ILE 61 28.939 28.584 44.962 1.00 0.00 ATOM 471 CB ILE 61 28.856 27.046 45.087 1.00 0.00 ATOM 472 CG1 ILE 61 28.366 26.452 43.765 1.00 0.00 ATOM 473 CG2 ILE 61 27.858 26.608 46.175 1.00 0.00 ATOM 474 CD1 ILE 61 28.496 24.921 43.703 1.00 0.00 ATOM 475 O ILE 61 28.070 29.705 46.857 1.00 0.00 ATOM 476 C ILE 61 29.068 29.219 46.348 1.00 0.00 ATOM 477 N TRP 62 30.248 29.104 46.948 1.00 0.00 ATOM 478 CA TRP 62 30.457 29.677 48.285 1.00 0.00 ATOM 479 CB TRP 62 31.746 29.213 48.951 1.00 0.00 ATOM 480 CG TRP 62 31.922 27.694 49.110 1.00 0.00 ATOM 481 CD1 TRP 62 33.120 27.124 49.205 1.00 0.00 ATOM 482 CD2 TRP 62 30.972 26.675 49.085 1.00 0.00 ATOM 483 CE2 TRP 62 31.689 25.495 49.149 1.00 0.00 ATOM 484 CE3 TRP 62 29.581 26.607 49.074 1.00 0.00 ATOM 485 NE1 TRP 62 32.979 25.804 49.237 1.00 0.00 ATOM 486 CZ2 TRP 62 31.027 24.276 49.211 1.00 0.00 ATOM 487 CZ3 TRP 62 28.919 25.388 49.146 1.00 0.00 ATOM 488 CH2 TRP 62 29.647 24.208 49.230 1.00 0.00 ATOM 489 O TRP 62 29.745 31.768 49.172 1.00 0.00 ATOM 490 C TRP 62 30.349 31.208 48.268 1.00 0.00 ATOM 491 N GLN 63 30.727 31.826 47.157 1.00 0.00 ATOM 492 CA GLN 63 30.531 33.274 46.999 1.00 0.00 ATOM 493 CB GLN 63 31.135 33.756 45.676 1.00 0.00 ATOM 494 CG GLN 63 32.654 33.736 45.642 1.00 0.00 ATOM 495 CD GLN 63 33.206 34.116 44.281 1.00 0.00 ATOM 496 OE1 GLN 63 32.453 34.315 43.324 1.00 0.00 ATOM 497 NE2 GLN 63 34.527 34.213 44.186 1.00 0.00 ATOM 498 O GLN 63 28.681 34.663 47.675 1.00 0.00 ATOM 499 C GLN 63 29.040 33.656 47.051 1.00 0.00 ATOM 500 N GLY 64 28.209 32.811 46.446 1.00 0.00 ATOM 501 CA GLY 64 26.739 32.942 46.431 1.00 0.00 ATOM 502 O GLY 64 24.808 32.648 47.764 1.00 0.00 ATOM 503 C GLY 64 26.038 32.667 47.753 1.00 0.00 ATOM 504 N CYS 65 26.802 32.126 48.691 1.00 0.00 ATOM 505 CA CYS 65 26.252 31.720 49.967 1.00 0.00 ATOM 506 CB CYS 65 27.209 30.776 50.682 1.00 0.00 ATOM 507 SG CYS 65 27.394 29.265 49.681 1.00 0.00 ATOM 508 O CYS 65 26.807 33.830 50.974 1.00 0.00 ATOM 509 C CYS 65 25.969 32.939 50.810 1.00 0.00 ATOM 510 N GLU 66 24.790 32.826 51.382 1.00 0.00 ATOM 511 CA GLU 66 24.433 33.708 52.487 1.00 0.00 ATOM 512 CB GLU 66 22.978 33.482 52.905 1.00 0.00 ATOM 513 CG GLU 66 22.471 34.448 53.966 1.00 0.00 ATOM 514 CD GLU 66 21.001 34.259 54.220 1.00 0.00 ATOM 515 OE1 GLU 66 20.241 34.349 53.286 1.00 0.00 ATOM 516 OE2 GLU 66 20.648 33.915 55.323 1.00 0.00 ATOM 517 O GLU 66 25.658 32.242 53.963 1.00 0.00 ATOM 518 C GLU 66 25.424 33.409 53.617 1.00 0.00 ATOM 519 N GLU 67 26.241 34.411 53.899 1.00 0.00 ATOM 520 CA GLU 67 27.325 34.310 54.898 1.00 0.00 ATOM 521 CB GLU 67 27.903 35.694 55.203 1.00 0.00 ATOM 522 CG GLU 67 29.106 35.681 56.135 1.00 0.00 ATOM 523 CD GLU 67 29.669 37.063 56.319 1.00 0.00 ATOM 524 OE1 GLU 67 29.128 37.985 55.756 1.00 0.00 ATOM 525 OE2 GLU 67 30.571 37.215 57.110 1.00 0.00 ATOM 526 O GLU 67 27.573 32.850 56.787 1.00 0.00 ATOM 527 C GLU 67 26.853 33.654 56.197 1.00 0.00 ATOM 528 N ASP 68 25.598 33.879 56.545 1.00 0.00 ATOM 529 CA ASP 68 24.978 33.253 57.732 1.00 0.00 ATOM 530 CB ASP 68 23.528 33.716 57.888 1.00 0.00 ATOM 531 CG ASP 68 23.375 35.155 58.361 1.00 0.00 ATOM 532 OD1 ASP 68 24.351 35.727 58.784 1.00 0.00 ATOM 533 OD2 ASP 68 22.327 35.719 58.153 1.00 0.00 ATOM 534 O ASP 68 25.279 31.123 58.779 1.00 0.00 ATOM 535 C ASP 68 24.987 31.712 57.738 1.00 0.00 ATOM 536 N GLY 69 24.865 31.110 56.562 1.00 0.00 ATOM 537 CA GLY 69 24.875 29.649 56.448 1.00 0.00 ATOM 538 O GLY 69 26.286 27.830 55.699 1.00 0.00 ATOM 539 C GLY 69 26.145 29.051 55.814 1.00 0.00 ATOM 540 N VAL 70 27.159 29.878 55.642 1.00 0.00 ATOM 541 CA VAL 70 28.438 29.421 55.057 1.00 0.00 ATOM 542 CB VAL 70 29.408 30.595 54.829 1.00 0.00 ATOM 543 CG1 VAL 70 30.778 30.082 54.413 1.00 0.00 ATOM 544 CG2 VAL 70 28.856 31.546 53.778 1.00 0.00 ATOM 545 O VAL 70 29.661 27.373 55.398 1.00 0.00 ATOM 546 C VAL 70 29.153 28.369 55.930 1.00 0.00 ATOM 547 N GLU 71 29.203 28.622 57.228 1.00 0.00 ATOM 548 CA GLU 71 29.856 27.711 58.178 1.00 0.00 ATOM 549 CB GLU 71 29.839 28.306 59.588 1.00 0.00 ATOM 550 CG GLU 71 30.759 29.504 59.776 1.00 0.00 ATOM 551 CD GLU 71 30.594 30.110 61.142 1.00 0.00 ATOM 552 OE1 GLU 71 29.748 29.656 61.875 1.00 0.00 ATOM 553 OE2 GLU 71 31.388 30.950 61.497 1.00 0.00 ATOM 554 O GLU 71 29.837 25.300 58.003 1.00 0.00 ATOM 555 C GLU 71 29.185 26.332 58.182 1.00 0.00 ATOM 556 N TYR 72 27.855 26.353 58.150 1.00 0.00 ATOM 557 CA TYR 72 27.075 25.104 58.101 1.00 0.00 ATOM 558 CB TYR 72 25.585 25.395 58.289 1.00 0.00 ATOM 559 CG TYR 72 25.203 25.743 59.711 1.00 0.00 ATOM 560 CD1 TYR 72 24.923 27.052 60.074 1.00 0.00 ATOM 561 CD2 TYR 72 25.122 24.760 60.687 1.00 0.00 ATOM 562 CE1 TYR 72 24.574 27.376 61.372 1.00 0.00 ATOM 563 CE2 TYR 72 24.774 25.071 61.986 1.00 0.00 ATOM 564 CZ TYR 72 24.501 26.381 62.325 1.00 0.00 ATOM 565 OH TYR 72 24.153 26.696 63.618 1.00 0.00 ATOM 566 O TYR 72 27.594 23.159 56.809 1.00 0.00 ATOM 567 C TYR 72 27.306 24.359 56.772 1.00 0.00 ATOM 568 N GLN 73 27.394 25.098 55.676 1.00 0.00 ATOM 569 CA GLN 73 27.675 24.534 54.336 1.00 0.00 ATOM 570 CB GLN 73 27.552 25.618 53.261 1.00 0.00 ATOM 571 CG GLN 73 27.460 25.080 51.843 1.00 0.00 ATOM 572 CD GLN 73 26.269 24.161 51.648 1.00 0.00 ATOM 573 OE1 GLN 73 25.288 24.523 50.994 1.00 0.00 ATOM 574 NE2 GLN 73 26.348 22.964 52.219 1.00 0.00 ATOM 575 O GLN 73 29.222 22.766 53.819 1.00 0.00 ATOM 576 C GLN 73 29.066 23.901 54.255 1.00 0.00 ATOM 577 N ARG 74 30.048 24.606 54.803 1.00 0.00 ATOM 578 CA ARG 74 31.436 24.115 54.901 1.00 0.00 ATOM 579 CB ARG 74 32.393 25.193 55.387 1.00 0.00 ATOM 580 CG ARG 74 32.667 26.305 54.385 1.00 0.00 ATOM 581 CD ARG 74 33.549 27.385 54.896 1.00 0.00 ATOM 582 NE ARG 74 33.794 28.461 53.949 1.00 0.00 ATOM 583 CZ ARG 74 34.503 29.574 54.221 1.00 0.00 ATOM 584 NH1 ARG 74 35.005 29.780 55.419 1.00 0.00 ATOM 585 NH2 ARG 74 34.660 30.466 53.259 1.00 0.00 ATOM 586 O ARG 74 32.227 21.909 55.356 1.00 0.00 ATOM 587 C ARG 74 31.561 22.854 55.766 1.00 0.00 ATOM 588 N LYS 75 30.833 22.847 56.884 1.00 0.00 ATOM 589 CA LYS 75 30.757 21.686 57.786 1.00 0.00 ATOM 590 CB LYS 75 29.957 22.034 59.042 1.00 0.00 ATOM 591 CG LYS 75 30.659 23.002 59.986 1.00 0.00 ATOM 592 CD LYS 75 29.804 23.300 61.209 1.00 0.00 ATOM 593 CE LYS 75 30.492 24.289 62.138 1.00 0.00 ATOM 594 NZ LYS 75 29.654 24.613 63.324 1.00 0.00 ATOM 595 O LYS 75 30.677 19.398 57.058 1.00 0.00 ATOM 596 C LYS 75 30.128 20.489 57.058 1.00 0.00 ATOM 597 N LEU 76 29.060 20.773 56.318 1.00 0.00 ATOM 598 CA LEU 76 28.402 19.764 55.478 1.00 0.00 ATOM 599 CB LEU 76 27.138 20.351 54.837 1.00 0.00 ATOM 600 CG LEU 76 26.157 19.320 54.265 1.00 0.00 ATOM 601 CD1 LEU 76 24.723 19.767 54.514 1.00 0.00 ATOM 602 CD2 LEU 76 26.416 19.143 52.776 1.00 0.00 ATOM 603 O LEU 76 29.422 18.020 54.172 1.00 0.00 ATOM 604 C LEU 76 29.309 19.212 54.388 1.00 0.00 ATOM 605 N ARG 77 30.060 20.125 53.790 1.00 0.00 ATOM 606 CA ARG 77 31.076 19.813 52.779 1.00 0.00 ATOM 607 CB ARG 77 31.742 21.149 52.476 1.00 0.00 ATOM 608 CG ARG 77 32.483 21.175 51.147 1.00 0.00 ATOM 609 CD ARG 77 33.267 22.472 51.006 1.00 0.00 ATOM 610 NE ARG 77 34.311 22.602 52.032 1.00 0.00 ATOM 611 CZ ARG 77 35.049 23.683 52.232 1.00 0.00 ATOM 612 NH1 ARG 77 34.942 24.776 51.469 1.00 0.00 ATOM 613 NH2 ARG 77 35.984 23.592 53.169 1.00 0.00 ATOM 614 O ARG 77 32.294 17.772 52.800 1.00 0.00 ATOM 615 C ARG 77 32.085 18.828 53.376 1.00 0.00 ATOM 616 N GLU 78 32.648 19.210 54.521 1.00 0.00 ATOM 617 CA GLU 78 33.655 18.406 55.256 1.00 0.00 ATOM 618 CB GLU 78 34.097 19.134 56.528 1.00 0.00 ATOM 619 CG GLU 78 34.960 20.364 56.280 1.00 0.00 ATOM 620 CD GLU 78 35.258 21.090 57.562 1.00 0.00 ATOM 621 OE1 GLU 78 34.746 20.690 58.581 1.00 0.00 ATOM 622 OE2 GLU 78 36.083 21.972 57.545 1.00 0.00 ATOM 623 O GLU 78 33.870 16.038 55.454 1.00 0.00 ATOM 624 C GLU 78 33.138 17.011 55.622 1.00 0.00 ATOM 625 N GLU 79 31.900 16.947 56.103 1.00 0.00 ATOM 626 CA GLU 79 31.253 15.682 56.486 1.00 0.00 ATOM 627 CB GLU 79 30.018 15.951 57.349 1.00 0.00 ATOM 628 CG GLU 79 30.326 16.499 58.735 1.00 0.00 ATOM 629 CD GLU 79 29.065 16.818 59.489 1.00 0.00 ATOM 630 OE1 GLU 79 28.006 16.664 58.930 1.00 0.00 ATOM 631 OE2 GLU 79 29.155 17.111 60.658 1.00 0.00 ATOM 632 O GLU 79 30.707 13.571 55.469 1.00 0.00 ATOM 633 C GLU 79 30.820 14.780 55.308 1.00 0.00 ATOM 634 N TRP 80 30.479 15.398 54.186 1.00 0.00 ATOM 635 CA TRP 80 30.159 14.725 52.898 1.00 0.00 ATOM 636 CB TRP 80 30.078 15.774 51.786 1.00 0.00 ATOM 637 CG TRP 80 29.519 15.320 50.421 1.00 0.00 ATOM 638 CD1 TRP 80 30.093 14.540 49.498 1.00 0.00 ATOM 639 CD2 TRP 80 28.277 15.666 49.937 1.00 0.00 ATOM 640 CE2 TRP 80 28.146 15.034 48.712 1.00 0.00 ATOM 641 CE3 TRP 80 27.271 16.502 50.393 1.00 0.00 ATOM 642 NE1 TRP 80 29.259 14.350 48.487 1.00 0.00 ATOM 643 CZ2 TRP 80 27.008 15.227 47.961 1.00 0.00 ATOM 644 CZ3 TRP 80 26.133 16.696 49.632 1.00 0.00 ATOM 645 CH2 TRP 80 26.002 16.053 48.417 1.00 0.00 ATOM 646 O TRP 80 32.387 13.813 52.963 1.00 0.00 ATOM 647 C TRP 80 31.234 13.700 52.506 1.00 0.00 TER END