PFRMAT TS TARGET T0366 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) 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 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 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 O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. 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 methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). 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. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. 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 METHOD New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD METHOD We had excellent fold recognition hits to PDZ domains, including 2fneA METHOD as our top hit. Since this was also BLAST's top hit, with an E-value METHOD of 2.2e-20, we are quite confident of the fold recognition. METHOD METHOD The guts of the fold remained essentially unchanged during our METHOD optimization, so we are mainly sampling minor variations on the METHOD termini and the small loops. METHOD METHOD We tried making dimers with 1tp5 and 1g9o as templates for the METHOD dimerization, and optimized the monomers in the dimeric context. METHOD The try3-opt2 monomer that we started with had some conflicts in the METHOD termini when superimposed on the 1g9o dimer, so ProteinShop was used METHOD to move the termini out of the dimerization interface. METHOD METHOD We do not believe that the dimerization in the crystal is biologically METHOD meaningful, and we did not see much signal for it in the multiple METHOD alignments or monomer models. Because there was not much signal to METHOD work from, we did not spend a lot of time trying to optimize the dimers. METHOD METHOD Model 1 is try3-opt2, our best-scoring monomer, the result of two METHOD rounds of polishing the automatic with undertaker. METHOD METHOD Model 2 is try4-opt2.gromacs0.repack-nonPC, the monomer that rosetta METHOD liked best of those it repacked sidechains for. It was optimized by METHOD undertaker from try2-opt2.gromacs0.repack-nonPC, then reoptimized with METHOD gromacs and with sidechains repacked by rosetta. METHOD METHOD Model 3 is chain A of dimer/try5-opt2, a dimer based on the monomer METHOD try3-opt2 superimposed on the 1g9o dimer, then reoptimized by METHOD undertaker in the dimer context. METHOD METHOD Model 4 is chain A of dimer/try2-opt2, a dimer based on the monomer METHOD try3-opt2 superimposed on the 1tp5 dimer, then reoptimized by METHOD undertaker in the dimer context. METHOD METHOD Model 5 is sidechain replacement by SCWRL on an alignment to 2fneA. REMARK 6 REMARK 6 T0366 model 5 Sat Jul 29 16:23:12 2006 MODEL 5 PARENT 2fne_A ATOM 2 N MET 9 -0.336 -14.092 -5.747 1.00 0.00 ATOM 3 CA MET 9 0.402 -12.875 -5.364 1.00 0.00 ATOM 4 CB MET 9 1.093 -13.068 -4.013 1.00 0.00 ATOM 5 CG MET 9 0.134 -13.244 -2.846 1.00 0.00 ATOM 6 SD MET 9 -0.944 -11.818 -2.611 1.00 0.00 ATOM 7 CE MET 9 0.179 -10.671 -1.816 1.00 0.00 ATOM 8 O MET 9 2.365 -13.314 -6.675 1.00 0.00 ATOM 9 C MET 9 1.480 -12.505 -6.381 1.00 0.00 ATOM 10 N GLY 10 1.403 -11.279 -6.890 1.00 0.00 ATOM 11 CA GLY 10 2.321 -10.879 -7.938 1.00 0.00 ATOM 12 O GLY 10 2.712 -8.696 -6.933 1.00 0.00 ATOM 13 C GLY 10 3.147 -9.634 -7.625 1.00 0.00 ATOM 14 N LEU 11 4.374 -9.660 -8.139 1.00 0.00 ATOM 15 CA LEU 11 5.293 -8.528 -8.013 1.00 0.00 ATOM 16 CB LEU 11 6.742 -8.992 -8.180 1.00 0.00 ATOM 17 CG LEU 11 7.269 -9.961 -7.120 1.00 0.00 ATOM 18 CD1 LEU 11 8.671 -10.433 -7.474 1.00 0.00 ATOM 19 CD2 LEU 11 7.323 -9.289 -5.757 1.00 0.00 ATOM 20 O LEU 11 4.897 -7.779 -10.264 1.00 0.00 ATOM 21 C LEU 11 5.008 -7.450 -9.089 1.00 0.00 ATOM 22 N ARG 12 4.875 -6.193 -8.689 1.00 0.00 ATOM 23 CA ARG 12 4.610 -5.059 -9.635 1.00 0.00 ATOM 24 CB ARG 12 3.208 -4.490 -9.410 1.00 0.00 ATOM 25 CG ARG 12 2.085 -5.469 -9.710 1.00 0.00 ATOM 26 CD ARG 12 0.727 -4.865 -9.396 1.00 0.00 ATOM 27 NE ARG 12 -0.367 -5.781 -9.712 1.00 0.00 ATOM 28 CZ ARG 12 -1.653 -5.502 -9.526 1.00 0.00 ATOM 29 NH1 ARG 12 -2.578 -6.398 -9.843 1.00 0.00 ATOM 30 NH2 ARG 12 -2.011 -4.329 -9.022 1.00 0.00 ATOM 31 O ARG 12 6.169 -3.800 -8.280 1.00 0.00 ATOM 32 C ARG 12 5.651 -3.946 -9.397 1.00 0.00 ATOM 33 N THR 13 5.916 -3.125 -10.410 1.00 0.00 ATOM 34 CA THR 13 6.745 -1.943 -10.214 1.00 0.00 ATOM 35 CB THR 13 7.978 -1.959 -11.136 1.00 0.00 ATOM 36 CG2 THR 13 8.824 -0.713 -10.915 1.00 0.00 ATOM 37 OG1 THR 13 8.775 -3.117 -10.854 1.00 0.00 ATOM 38 O THR 13 5.348 -0.642 -11.643 1.00 0.00 ATOM 39 C THR 13 5.867 -0.743 -10.538 1.00 0.00 ATOM 40 N VAL 14 5.689 0.141 -9.565 1.00 0.00 ATOM 41 CA VAL 14 4.789 1.281 -9.697 1.00 0.00 ATOM 42 CB VAL 14 3.665 1.237 -8.645 1.00 0.00 ATOM 43 CG1 VAL 14 2.766 2.457 -8.776 1.00 0.00 ATOM 44 CG2 VAL 14 2.813 -0.010 -8.827 1.00 0.00 ATOM 45 O VAL 14 6.352 2.671 -8.526 1.00 0.00 ATOM 46 C VAL 14 5.636 2.549 -9.500 1.00 0.00 ATOM 47 N GLU 15 5.540 3.464 -10.464 1.00 0.00 ATOM 48 CA GLU 15 6.361 4.660 -10.507 1.00 0.00 ATOM 49 CB GLU 15 7.073 4.772 -11.857 1.00 0.00 ATOM 50 CG GLU 15 7.995 5.974 -11.974 1.00 0.00 ATOM 51 CD GLU 15 8.687 6.049 -13.322 1.00 0.00 ATOM 52 OE1 GLU 15 8.431 5.169 -14.170 1.00 0.00 ATOM 53 OE2 GLU 15 9.482 6.989 -13.530 1.00 0.00 ATOM 54 O GLU 15 4.524 6.098 -11.082 1.00 0.00 ATOM 55 C GLU 15 5.481 5.882 -10.309 1.00 0.00 ATOM 56 N MET 16 5.801 6.654 -9.258 1.00 0.00 ATOM 57 CA MET 16 5.047 7.865 -8.919 1.00 0.00 ATOM 58 CB MET 16 4.446 7.747 -7.516 1.00 0.00 ATOM 59 CG MET 16 3.413 6.641 -7.377 1.00 0.00 ATOM 60 SD MET 16 2.765 6.504 -5.700 1.00 0.00 ATOM 61 CE MET 16 4.193 5.854 -4.837 1.00 0.00 ATOM 62 O MET 16 7.034 9.072 -8.534 1.00 0.00 ATOM 63 C MET 16 5.895 9.124 -8.931 1.00 0.00 ATOM 64 N LYS 17 5.312 10.254 -9.347 1.00 0.00 ATOM 65 CA LYS 17 5.927 11.575 -9.125 1.00 0.00 ATOM 66 CB LYS 17 5.716 12.476 -10.343 1.00 0.00 ATOM 67 CG LYS 17 6.415 13.822 -10.247 1.00 0.00 ATOM 68 CD LYS 17 6.137 14.676 -11.474 1.00 0.00 ATOM 69 CE LYS 17 6.843 16.020 -11.383 1.00 0.00 ATOM 70 NZ LYS 17 6.583 16.867 -12.581 1.00 0.00 ATOM 71 O LYS 17 4.037 12.291 -7.875 1.00 0.00 ATOM 72 C LYS 17 5.259 12.190 -7.904 1.00 0.00 ATOM 73 N LYS 18 6.019 12.567 -6.881 1.00 0.00 ATOM 74 CA LYS 18 5.389 13.213 -5.709 1.00 0.00 ATOM 75 CB LYS 18 6.457 13.694 -4.725 1.00 0.00 ATOM 76 CG LYS 18 5.897 14.317 -3.458 1.00 0.00 ATOM 77 CD LYS 18 7.008 14.722 -2.503 1.00 0.00 ATOM 78 CE LYS 18 6.451 15.383 -1.253 1.00 0.00 ATOM 79 NZ LYS 18 7.530 15.810 -0.322 1.00 0.00 ATOM 80 O LYS 18 4.961 15.216 -6.969 1.00 0.00 ATOM 81 C LYS 18 4.548 14.422 -6.104 1.00 0.00 ATOM 82 N GLY 19 3.379 14.559 -5.479 1.00 0.00 ATOM 83 CA GLY 19 2.614 15.792 -5.546 1.00 0.00 ATOM 84 O GLY 19 4.089 16.440 -3.773 1.00 0.00 ATOM 85 C GLY 19 3.055 16.700 -4.408 1.00 0.00 ATOM 86 N THR 21 2.276 17.767 -4.133 1.00 0.00 ATOM 87 CA THR 21 2.590 18.612 -2.974 1.00 0.00 ATOM 88 CB THR 21 1.808 19.939 -3.015 1.00 0.00 ATOM 89 CG2 THR 21 2.144 20.716 -4.278 1.00 0.00 ATOM 90 OG1 THR 21 0.401 19.668 -2.998 1.00 0.00 ATOM 91 O THR 21 2.785 18.271 -0.605 1.00 0.00 ATOM 92 C THR 21 2.237 17.917 -1.647 1.00 0.00 ATOM 93 N ASP 22 1.351 16.923 -1.709 1.00 0.00 ATOM 94 CA ASP 22 0.972 16.110 -0.550 1.00 0.00 ATOM 95 CB ASP 22 -0.513 15.749 -0.610 1.00 0.00 ATOM 96 CG ASP 22 -0.867 14.939 -1.843 1.00 0.00 ATOM 97 OD1 ASP 22 0.027 14.720 -2.686 1.00 0.00 ATOM 98 OD2 ASP 22 -2.039 14.525 -1.965 1.00 0.00 ATOM 99 O ASP 22 1.342 13.875 0.280 1.00 0.00 ATOM 100 C ASP 22 1.755 14.778 -0.454 1.00 0.00 ATOM 101 N SER 23 2.865 14.656 -1.196 1.00 0.00 ATOM 102 CA SER 23 3.718 13.452 -1.159 1.00 0.00 ATOM 103 CB SER 23 3.665 12.801 0.224 1.00 0.00 ATOM 104 OG SER 23 4.482 11.644 0.274 1.00 0.00 ATOM 105 O SER 23 2.672 12.845 -3.235 1.00 0.00 ATOM 106 C SER 23 3.242 12.441 -2.190 1.00 0.00 ATOM 107 N LEU 24 3.459 11.144 -1.881 1.00 0.00 ATOM 108 CA LEU 24 3.116 10.030 -2.754 1.00 0.00 ATOM 109 CB LEU 24 3.800 8.747 -2.279 1.00 0.00 ATOM 110 CG LEU 24 5.328 8.719 -2.379 1.00 0.00 ATOM 111 CD1 LEU 24 5.882 7.441 -1.766 1.00 0.00 ATOM 112 CD2 LEU 24 5.774 8.781 -3.831 1.00 0.00 ATOM 113 O LEU 24 1.072 9.201 -3.733 1.00 0.00 ATOM 114 C LEU 24 1.610 9.776 -2.774 1.00 0.00 ATOM 115 N GLY 25 0.926 10.238 -1.723 1.00 0.00 ATOM 116 CA GLY 25 -0.524 10.149 -1.645 1.00 0.00 ATOM 117 O GLY 25 -2.135 8.315 -1.521 1.00 0.00 ATOM 118 C GLY 25 -1.050 8.807 -1.108 1.00 0.00 ATOM 119 N ILE 26 -0.358 8.240 -0.137 1.00 0.00 ATOM 120 CA ILE 26 -0.924 7.047 0.534 1.00 0.00 ATOM 121 CB ILE 26 -0.575 5.752 -0.222 1.00 0.00 ATOM 122 CG1 ILE 26 0.942 5.591 -0.330 1.00 0.00 ATOM 123 CG2 ILE 26 -1.157 5.784 -1.628 1.00 0.00 ATOM 124 CD1 ILE 26 1.376 4.254 -0.890 1.00 0.00 ATOM 125 O ILE 26 0.602 7.577 2.289 1.00 0.00 ATOM 126 C ILE 26 -0.383 6.923 1.940 1.00 0.00 ATOM 127 N SER 27 -1.044 6.090 2.746 1.00 0.00 ATOM 128 CA SER 27 -0.547 5.783 4.076 1.00 0.00 ATOM 129 CB SER 27 -1.637 6.019 5.123 1.00 0.00 ATOM 130 OG SER 27 -2.739 5.153 4.917 1.00 0.00 ATOM 131 O SER 27 -0.598 3.454 3.418 1.00 0.00 ATOM 132 C SER 27 -0.110 4.344 4.168 1.00 0.00 ATOM 133 N ILE 28 0.774 4.114 5.121 1.00 0.00 ATOM 134 CA ILE 28 1.266 2.782 5.420 1.00 0.00 ATOM 135 CB ILE 28 2.783 2.672 5.176 1.00 0.00 ATOM 136 CG1 ILE 28 3.538 3.665 6.061 1.00 0.00 ATOM 137 CG2 ILE 28 3.113 2.976 3.722 1.00 0.00 ATOM 138 CD1 ILE 28 5.041 3.488 6.034 1.00 0.00 ATOM 139 O ILE 28 0.901 3.257 7.759 1.00 0.00 ATOM 140 C ILE 28 1.014 2.395 6.874 1.00 0.00 ATOM 141 N ALA 29 0.882 1.093 7.100 1.00 0.00 ATOM 142 CA ALA 29 0.882 0.485 8.426 1.00 0.00 ATOM 143 CB ALA 29 -0.498 -0.060 8.760 1.00 0.00 ATOM 144 O ALA 29 2.413 -1.021 7.341 1.00 0.00 ATOM 145 C ALA 29 1.909 -0.657 8.406 1.00 0.00 ATOM 146 N GLY 30 2.263 -1.144 9.587 1.00 0.00 ATOM 147 CA GLY 30 3.184 -2.317 9.711 1.00 0.00 ATOM 148 O GLY 30 4.867 -0.740 10.441 1.00 0.00 ATOM 149 C GLY 30 4.599 -1.907 10.061 1.00 0.00 ATOM 150 N GLY 31 5.527 -2.846 9.935 1.00 0.00 ATOM 151 CA GLY 31 6.888 -2.559 10.344 1.00 0.00 ATOM 152 O GLY 31 6.513 -4.145 12.136 1.00 0.00 ATOM 153 C GLY 31 7.330 -3.547 11.405 1.00 0.00 ATOM 154 N VAL 32 8.629 -3.785 11.441 1.00 0.00 ATOM 155 CA VAL 32 9.192 -4.589 12.538 1.00 0.00 ATOM 156 CB VAL 32 10.718 -4.744 12.398 1.00 0.00 ATOM 157 CG1 VAL 32 11.409 -3.403 12.587 1.00 0.00 ATOM 158 CG2 VAL 32 11.252 -5.712 13.441 1.00 0.00 ATOM 159 O VAL 32 9.186 -2.729 14.033 1.00 0.00 ATOM 160 C VAL 32 8.894 -3.904 13.878 1.00 0.00 ATOM 161 N GLY 33 8.290 -4.621 14.821 1.00 0.00 ATOM 162 CA GLY 33 8.069 -4.072 16.164 1.00 0.00 ATOM 163 O GLY 33 6.776 -2.279 17.100 1.00 0.00 ATOM 164 C GLY 33 6.920 -3.073 16.158 1.00 0.00 ATOM 165 N SER 34 6.078 -3.130 15.109 1.00 0.00 ATOM 166 CA SER 34 4.884 -2.253 14.973 1.00 0.00 ATOM 167 CB SER 34 4.273 -2.393 13.578 1.00 0.00 ATOM 168 OG SER 34 3.712 -3.681 13.393 1.00 0.00 ATOM 169 O SER 34 3.876 -3.752 16.600 1.00 0.00 ATOM 170 C SER 34 3.815 -2.648 16.027 1.00 0.00 ATOM 171 N PRO 35 2.861 -1.734 16.329 1.00 0.00 ATOM 172 CA PRO 35 1.797 -2.080 17.264 1.00 0.00 ATOM 173 CB PRO 35 0.844 -0.884 17.198 1.00 0.00 ATOM 174 CG PRO 35 1.716 0.268 16.828 1.00 0.00 ATOM 175 CD PRO 35 2.718 -0.266 15.843 1.00 0.00 ATOM 176 O PRO 35 0.518 -3.984 17.825 1.00 0.00 ATOM 177 C PRO 35 1.042 -3.365 16.922 1.00 0.00 ATOM 178 N LEU 36 0.969 -3.748 15.645 1.00 0.00 ATOM 179 CA LEU 36 0.274 -4.972 15.229 1.00 0.00 ATOM 180 CB LEU 36 -0.239 -4.835 13.795 1.00 0.00 ATOM 181 CG LEU 36 -1.269 -3.733 13.545 1.00 0.00 ATOM 182 CD1 LEU 36 -1.616 -3.645 12.067 1.00 0.00 ATOM 183 CD2 LEU 36 -2.551 -4.011 14.317 1.00 0.00 ATOM 184 O LEU 36 0.663 -7.323 15.014 1.00 0.00 ATOM 185 C LEU 36 1.162 -6.231 15.266 1.00 0.00 ATOM 186 N GLY 37 2.454 -6.070 15.580 1.00 0.00 ATOM 187 CA GLY 37 3.421 -7.191 15.566 1.00 0.00 ATOM 188 O GLY 37 4.704 -5.763 14.150 1.00 0.00 ATOM 189 C GLY 37 4.551 -6.899 14.587 1.00 0.00 ATOM 190 N ASP 38 5.362 -7.907 14.265 1.00 0.00 ATOM 191 CA ASP 38 6.463 -7.711 13.324 1.00 0.00 ATOM 192 CB ASP 38 7.596 -8.699 13.611 1.00 0.00 ATOM 193 CG ASP 38 8.783 -8.506 12.687 1.00 0.00 ATOM 194 OD1 ASP 38 8.679 -7.691 11.748 1.00 0.00 ATOM 195 OD2 ASP 38 9.818 -9.171 12.904 1.00 0.00 ATOM 196 O ASP 38 5.610 -9.107 11.592 1.00 0.00 ATOM 197 C ASP 38 5.868 -7.949 11.968 1.00 0.00 ATOM 198 N VAL 39 5.614 -6.854 11.268 1.00 0.00 ATOM 199 CA VAL 39 4.923 -6.906 9.961 1.00 0.00 ATOM 200 CB VAL 39 3.576 -6.162 10.004 1.00 0.00 ATOM 201 CG1 VAL 39 2.923 -6.161 8.631 1.00 0.00 ATOM 202 CG2 VAL 39 2.629 -6.832 10.987 1.00 0.00 ATOM 203 O VAL 39 6.563 -5.388 9.169 1.00 0.00 ATOM 204 C VAL 39 5.761 -6.272 8.887 1.00 0.00 ATOM 205 N PRO 40 5.551 -6.697 7.641 1.00 0.00 ATOM 206 CA PRO 40 6.039 -5.956 6.496 1.00 0.00 ATOM 207 CB PRO 40 5.724 -6.866 5.307 1.00 0.00 ATOM 208 CG PRO 40 5.521 -8.215 5.911 1.00 0.00 ATOM 209 CD PRO 40 4.914 -7.977 7.266 1.00 0.00 ATOM 210 O PRO 40 4.449 -4.292 7.272 1.00 0.00 ATOM 211 C PRO 40 5.306 -4.615 6.407 1.00 0.00 ATOM 212 N ILE 41 5.644 -3.849 5.383 1.00 0.00 ATOM 213 CA ILE 41 5.041 -2.513 5.192 1.00 0.00 ATOM 214 CB ILE 41 6.072 -1.498 4.664 1.00 0.00 ATOM 215 CG1 ILE 41 7.282 -1.432 5.599 1.00 0.00 ATOM 216 CG2 ILE 41 5.456 -0.111 4.572 1.00 0.00 ATOM 217 CD1 ILE 41 6.937 -1.021 7.013 1.00 0.00 ATOM 218 O ILE 41 4.133 -3.097 3.059 1.00 0.00 ATOM 219 C ILE 41 3.908 -2.636 4.186 1.00 0.00 ATOM 220 N PHE 42 2.686 -2.277 4.604 1.00 0.00 ATOM 221 CA PHE 42 1.484 -2.449 3.789 1.00 0.00 ATOM 222 CB PHE 42 0.458 -3.314 4.523 1.00 0.00 ATOM 223 CG PHE 42 0.918 -4.723 4.768 1.00 0.00 ATOM 224 CD1 PHE 42 1.560 -5.062 5.946 1.00 0.00 ATOM 225 CD2 PHE 42 0.710 -5.710 3.819 1.00 0.00 ATOM 226 CE1 PHE 42 1.983 -6.359 6.171 1.00 0.00 ATOM 227 CE2 PHE 42 1.133 -7.005 4.044 1.00 0.00 ATOM 228 CZ PHE 42 1.766 -7.332 5.214 1.00 0.00 ATOM 229 O PHE 42 0.798 -0.259 4.411 1.00 0.00 ATOM 230 C PHE 42 0.893 -1.092 3.519 1.00 0.00 ATOM 231 N ILE 43 0.443 -0.892 2.290 1.00 0.00 ATOM 232 CA ILE 43 -0.417 0.248 1.977 1.00 0.00 ATOM 233 CB ILE 43 -0.679 0.359 0.463 1.00 0.00 ATOM 234 CG1 ILE 43 0.628 0.630 -0.286 1.00 0.00 ATOM 235 CG2 ILE 43 -1.646 1.497 0.171 1.00 0.00 ATOM 236 CD1 ILE 43 0.504 0.518 -1.789 1.00 0.00 ATOM 237 O ILE 43 -2.483 -0.910 2.550 1.00 0.00 ATOM 238 C ILE 43 -1.780 0.111 2.682 1.00 0.00 ATOM 239 N ALA 44 -2.177 1.141 3.412 1.00 0.00 ATOM 240 CA ALA 44 -3.493 1.130 4.098 1.00 0.00 ATOM 241 CB ALA 44 -3.377 1.762 5.477 1.00 0.00 ATOM 242 O ALA 44 -5.548 1.384 2.904 1.00 0.00 ATOM 243 C ALA 44 -4.510 1.914 3.285 1.00 0.00 ATOM 244 N MET 45 -4.248 3.197 3.055 1.00 0.00 ATOM 245 CA MET 45 -5.213 3.983 2.268 1.00 0.00 ATOM 246 CB MET 45 -5.874 5.051 3.142 1.00 0.00 ATOM 247 CG MET 45 -6.717 4.489 4.276 1.00 0.00 ATOM 248 SD MET 45 -7.487 5.778 5.274 1.00 0.00 ATOM 249 CE MET 45 -8.709 6.411 4.128 1.00 0.00 ATOM 250 O MET 45 -3.444 5.249 1.296 1.00 0.00 ATOM 251 C MET 45 -4.519 4.681 1.104 1.00 0.00 ATOM 252 N MET 46 -5.145 4.667 -0.074 1.00 0.00 ATOM 253 CA MET 46 -4.690 5.473 -1.212 1.00 0.00 ATOM 254 CB MET 46 -4.756 4.659 -2.505 1.00 0.00 ATOM 255 CG MET 46 -4.229 5.395 -3.728 1.00 0.00 ATOM 256 SD MET 46 -4.364 4.418 -5.238 1.00 0.00 ATOM 257 CE MET 46 -6.140 4.394 -5.467 1.00 0.00 ATOM 258 O MET 46 -6.799 6.533 -1.534 1.00 0.00 ATOM 259 C MET 46 -5.603 6.676 -1.310 1.00 0.00 ATOM 260 N HIS 47 -5.064 7.863 -1.066 1.00 0.00 ATOM 261 CA HIS 47 -5.926 9.039 -0.938 1.00 0.00 ATOM 262 CB HIS 47 -5.159 10.199 -0.297 1.00 0.00 ATOM 263 CG HIS 47 -6.026 11.354 0.096 1.00 0.00 ATOM 264 CD2 HIS 47 -6.567 11.867 1.345 1.00 0.00 ATOM 265 ND1 HIS 47 -6.526 12.255 -0.819 1.00 0.00 ATOM 266 CE1 HIS 47 -7.264 13.172 -0.171 1.00 0.00 ATOM 267 NE2 HIS 47 -7.295 12.946 1.128 1.00 0.00 ATOM 268 O HIS 47 -5.733 9.815 -3.212 1.00 0.00 ATOM 269 C HIS 47 -6.485 9.576 -2.264 1.00 0.00 ATOM 270 N PRO 48 -7.786 9.862 -2.287 1.00 0.00 ATOM 271 CA PRO 48 -8.376 10.571 -3.441 1.00 0.00 ATOM 272 CB PRO 48 -9.768 10.978 -2.952 1.00 0.00 ATOM 273 CG PRO 48 -10.111 9.965 -1.913 1.00 0.00 ATOM 274 CD PRO 48 -8.834 9.674 -1.176 1.00 0.00 ATOM 275 O PRO 48 -6.998 12.507 -2.949 1.00 0.00 ATOM 276 C PRO 48 -7.519 11.801 -3.816 1.00 0.00 ATOM 277 N THR 49 -7.312 12.004 -5.113 1.00 0.00 ATOM 278 CA THR 49 -6.601 13.175 -5.658 1.00 0.00 ATOM 279 CB THR 49 -7.045 14.477 -4.967 1.00 0.00 ATOM 280 CG2 THR 49 -8.563 14.580 -4.948 1.00 0.00 ATOM 281 OG1 THR 49 -6.563 14.494 -3.617 1.00 0.00 ATOM 282 O THR 49 -4.428 14.069 -6.075 1.00 0.00 ATOM 283 C THR 49 -5.073 13.177 -5.533 1.00 0.00 ATOM 284 N GLY 50 -4.486 12.191 -4.843 1.00 0.00 ATOM 285 CA GLY 50 -3.043 12.138 -4.726 1.00 0.00 ATOM 286 O GLY 50 -2.969 10.934 -6.807 1.00 0.00 ATOM 287 C GLY 50 -2.332 11.414 -5.881 1.00 0.00 ATOM 288 N VAL 51 -1.014 11.327 -5.817 1.00 0.00 ATOM 289 CA VAL 51 -0.240 10.833 -6.950 1.00 0.00 ATOM 290 CB VAL 51 1.271 11.041 -6.736 1.00 0.00 ATOM 291 CG1 VAL 51 2.065 10.353 -7.835 1.00 0.00 ATOM 292 CG2 VAL 51 1.612 12.523 -6.752 1.00 0.00 ATOM 293 O VAL 51 -0.726 8.856 -8.246 1.00 0.00 ATOM 294 C VAL 51 -0.510 9.335 -7.124 1.00 0.00 ATOM 295 N ALA 52 -0.522 8.604 -6.001 1.00 0.00 ATOM 296 CA ALA 52 -0.787 7.141 -6.029 1.00 0.00 ATOM 297 CB ALA 52 -0.731 6.565 -4.622 1.00 0.00 ATOM 298 O ALA 52 -2.388 5.938 -7.400 1.00 0.00 ATOM 299 C ALA 52 -2.187 6.872 -6.621 1.00 0.00 ATOM 300 N ALA 53 -3.158 7.716 -6.272 1.00 0.00 ATOM 301 CA ALA 53 -4.532 7.522 -6.781 1.00 0.00 ATOM 302 CB ALA 53 -5.504 8.430 -6.042 1.00 0.00 ATOM 303 O ALA 53 -5.306 7.105 -9.050 1.00 0.00 ATOM 304 C ALA 53 -4.653 7.841 -8.277 1.00 0.00 ATOM 305 N GLN 54 -4.022 8.929 -8.703 1.00 0.00 ATOM 306 CA GLN 54 -4.092 9.349 -10.094 1.00 0.00 ATOM 307 CB GLN 54 -3.393 10.697 -10.283 1.00 0.00 ATOM 308 CG GLN 54 -4.067 11.852 -9.561 1.00 0.00 ATOM 309 CD GLN 54 -3.277 13.141 -9.660 1.00 0.00 ATOM 310 OE1 GLN 54 -2.140 13.150 -10.132 1.00 0.00 ATOM 311 NE2 GLN 54 -3.879 14.239 -9.214 1.00 0.00 ATOM 312 O GLN 54 -3.843 8.053 -12.111 1.00 0.00 ATOM 313 C GLN 54 -3.405 8.310 -10.986 1.00 0.00 ATOM 317 N LYS 57 -2.637 2.412 -9.818 1.00 0.00 ATOM 318 CA LYS 57 -2.177 1.024 -9.602 1.00 0.00 ATOM 319 CB LYS 57 -0.762 0.837 -10.151 1.00 0.00 ATOM 320 CG LYS 57 -0.675 0.871 -11.668 1.00 0.00 ATOM 321 CD LYS 57 0.757 0.682 -12.144 1.00 0.00 ATOM 322 CE LYS 57 0.847 0.743 -13.661 1.00 0.00 ATOM 323 NZ LYS 57 2.249 0.594 -14.139 1.00 0.00 ATOM 324 O LYS 57 -2.642 -0.480 -7.738 1.00 0.00 ATOM 325 C LYS 57 -2.134 0.605 -8.130 1.00 0.00 ATOM 326 N LEU 58 -1.532 1.449 -7.294 1.00 0.00 ATOM 327 CA LEU 58 -1.331 1.072 -5.887 1.00 0.00 ATOM 328 CB LEU 58 -0.515 2.142 -5.158 1.00 0.00 ATOM 329 CG LEU 58 0.942 2.299 -5.597 1.00 0.00 ATOM 330 CD1 LEU 58 1.593 3.478 -4.889 1.00 0.00 ATOM 331 CD2 LEU 58 1.742 1.047 -5.269 1.00 0.00 ATOM 332 O LEU 58 -3.622 1.679 -5.446 1.00 0.00 ATOM 333 C LEU 58 -2.659 0.919 -5.172 1.00 0.00 ATOM 334 N ARG 59 -2.748 -0.056 -4.267 1.00 0.00 ATOM 335 CA ARG 59 -4.015 -0.291 -3.576 1.00 0.00 ATOM 336 CB ARG 59 -4.860 -1.313 -4.341 1.00 0.00 ATOM 337 CG ARG 59 -5.275 -0.858 -5.730 1.00 0.00 ATOM 338 CD ARG 59 -6.282 0.279 -5.661 1.00 0.00 ATOM 339 NE ARG 59 -6.837 0.599 -6.974 1.00 0.00 ATOM 340 CZ ARG 59 -6.278 1.444 -7.836 1.00 0.00 ATOM 341 NH1 ARG 59 -6.854 1.674 -9.007 1.00 0.00 ATOM 342 NH2 ARG 59 -5.145 2.057 -7.523 1.00 0.00 ATOM 343 O ARG 59 -2.797 -1.408 -1.841 1.00 0.00 ATOM 344 C ARG 59 -3.833 -0.828 -2.168 1.00 0.00 ATOM 345 N VAL 60 -4.838 -0.597 -1.333 1.00 0.00 ATOM 346 CA VAL 60 -4.836 -1.137 0.018 1.00 0.00 ATOM 347 CB VAL 60 -6.224 -1.024 0.674 1.00 0.00 ATOM 348 CG1 VAL 60 -7.226 -1.918 -0.041 1.00 0.00 ATOM 349 CG2 VAL 60 -6.161 -1.444 2.133 1.00 0.00 ATOM 350 O VAL 60 -4.983 -3.447 -0.771 1.00 0.00 ATOM 351 C VAL 60 -4.445 -2.616 0.027 1.00 0.00 ATOM 352 N GLY 61 -3.530 -2.966 0.935 1.00 0.00 ATOM 353 CA GLY 61 -3.093 -4.360 1.034 1.00 0.00 ATOM 354 O GLY 61 -1.107 -5.641 0.665 1.00 0.00 ATOM 355 C GLY 61 -1.774 -4.660 0.333 1.00 0.00 ATOM 356 N ASP 62 -1.397 -3.839 -0.642 1.00 0.00 ATOM 357 CA ASP 62 -0.043 -3.982 -1.281 1.00 0.00 ATOM 358 CB ASP 62 0.173 -2.887 -2.328 1.00 0.00 ATOM 359 CG ASP 62 -0.643 -3.111 -3.584 1.00 0.00 ATOM 360 OD1 ASP 62 -1.225 -4.207 -3.727 1.00 0.00 ATOM 361 OD2 ASP 62 -0.703 -2.190 -4.426 1.00 0.00 ATOM 362 O ASP 62 1.021 -3.069 0.642 1.00 0.00 ATOM 363 C ASP 62 1.077 -3.874 -0.247 1.00 0.00 ATOM 364 N ARG 63 2.091 -4.726 -0.386 1.00 0.00 ATOM 365 CA ARG 63 3.239 -4.728 0.466 1.00 0.00 ATOM 366 CB ARG 63 3.623 -6.161 0.844 1.00 0.00 ATOM 367 CG ARG 63 4.885 -6.263 1.685 1.00 0.00 ATOM 368 CD ARG 63 5.097 -7.681 2.192 1.00 0.00 ATOM 369 NE ARG 63 4.020 -8.111 3.080 1.00 0.00 ATOM 370 CZ ARG 63 3.760 -9.380 3.380 1.00 0.00 ATOM 371 NH1 ARG 63 2.760 -9.677 4.197 1.00 0.00 ATOM 372 NH2 ARG 63 4.502 -10.348 2.859 1.00 0.00 ATOM 373 O ARG 63 4.707 -4.533 -1.385 1.00 0.00 ATOM 374 C ARG 63 4.351 -4.078 -0.302 1.00 0.00 ATOM 375 N ILE 64 4.930 -3.048 0.288 1.00 0.00 ATOM 376 CA ILE 64 6.010 -2.334 -0.349 1.00 0.00 ATOM 377 CB ILE 64 6.114 -0.887 0.168 1.00 0.00 ATOM 378 CG1 ILE 64 4.828 -0.117 -0.140 1.00 0.00 ATOM 379 CG2 ILE 64 7.278 -0.166 -0.495 1.00 0.00 ATOM 380 CD1 ILE 64 4.752 1.238 0.527 1.00 0.00 ATOM 381 O ILE 64 7.762 -3.166 1.085 1.00 0.00 ATOM 382 C ILE 64 7.321 -3.067 -0.046 1.00 0.00 ATOM 383 N VAL 65 7.887 -3.632 -1.085 1.00 0.00 ATOM 384 CA VAL 65 9.097 -4.438 -0.983 1.00 0.00 ATOM 385 CB VAL 65 9.156 -5.510 -2.087 1.00 0.00 ATOM 386 CG1 VAL 65 10.474 -6.268 -2.025 1.00 0.00 ATOM 387 CG2 VAL 65 8.020 -6.508 -1.921 1.00 0.00 ATOM 388 O VAL 65 11.436 -3.909 -0.450 1.00 0.00 ATOM 389 C VAL 65 10.396 -3.608 -1.111 1.00 0.00 ATOM 390 N THR 66 10.372 -2.627 -2.015 1.00 0.00 ATOM 391 CA THR 66 11.525 -1.751 -2.212 1.00 0.00 ATOM 392 CB THR 66 12.488 -2.317 -3.270 1.00 0.00 ATOM 393 CG2 THR 66 12.914 -3.731 -2.904 1.00 0.00 ATOM 394 OG1 THR 66 11.839 -2.344 -4.547 1.00 0.00 ATOM 395 O THR 66 10.135 -0.137 -3.295 1.00 0.00 ATOM 396 C THR 66 11.163 -0.347 -2.678 1.00 0.00 ATOM 397 N ILE 67 12.060 0.611 -2.430 1.00 0.00 ATOM 398 CA ILE 67 11.786 1.995 -2.890 1.00 0.00 ATOM 399 CB ILE 67 11.534 2.943 -1.704 1.00 0.00 ATOM 400 CG1 ILE 67 10.333 2.468 -0.885 1.00 0.00 ATOM 401 CG2 ILE 67 11.251 4.353 -2.200 1.00 0.00 ATOM 402 CD1 ILE 67 10.110 3.255 0.387 1.00 0.00 ATOM 403 O ILE 67 14.083 2.559 -3.060 1.00 0.00 ATOM 404 C ILE 67 13.019 2.415 -3.654 1.00 0.00 ATOM 405 N CYS 68 12.903 2.579 -4.979 1.00 0.00 ATOM 406 CA CYS 68 14.063 2.890 -5.831 1.00 0.00 ATOM 407 CB CYS 68 14.571 4.306 -5.550 1.00 0.00 ATOM 408 SG CYS 68 13.349 5.607 -5.833 1.00 0.00 ATOM 409 O CYS 68 16.380 2.282 -5.431 1.00 0.00 ATOM 410 C CYS 68 15.205 1.908 -5.567 1.00 0.00 ATOM 411 N GLY 69 14.830 0.644 -5.451 1.00 0.00 ATOM 412 CA GLY 69 15.813 -0.435 -5.309 1.00 0.00 ATOM 413 O GLY 69 17.061 -1.597 -3.650 1.00 0.00 ATOM 414 C GLY 69 16.304 -0.662 -3.908 1.00 0.00 ATOM 415 N THR 70 15.904 0.204 -2.984 1.00 0.00 ATOM 416 CA THR 70 16.329 0.048 -1.607 1.00 0.00 ATOM 417 CB THR 70 16.461 1.409 -0.899 1.00 0.00 ATOM 418 CG2 THR 70 16.888 1.219 0.549 1.00 0.00 ATOM 419 OG1 THR 70 17.442 2.208 -1.571 1.00 0.00 ATOM 420 O THR 70 14.162 -0.383 -0.744 1.00 0.00 ATOM 421 C THR 70 15.287 -0.789 -0.895 1.00 0.00 ATOM 422 N SER 71 15.686 -1.962 -0.419 1.00 0.00 ATOM 423 CA SER 71 14.747 -2.894 0.220 1.00 0.00 ATOM 424 CB SER 71 15.438 -4.222 0.534 1.00 0.00 ATOM 425 OG SER 71 14.567 -5.100 1.222 1.00 0.00 ATOM 426 O SER 71 14.863 -1.874 2.364 1.00 0.00 ATOM 427 C SER 71 14.157 -2.403 1.530 1.00 0.00 ATOM 428 N THR 72 12.879 -2.674 1.730 1.00 0.00 ATOM 429 CA THR 72 12.248 -2.466 3.027 1.00 0.00 ATOM 430 CB THR 72 10.771 -2.051 2.875 1.00 0.00 ATOM 431 CG2 THR 72 10.662 -0.748 2.098 1.00 0.00 ATOM 432 OG1 THR 72 10.054 -3.073 2.171 1.00 0.00 ATOM 433 O THR 72 11.618 -3.741 4.938 1.00 0.00 ATOM 434 C THR 72 12.263 -3.727 3.907 1.00 0.00 ATOM 435 N GLU 73 13.051 -4.748 3.551 1.00 0.00 ATOM 436 CA GLU 73 12.994 -5.992 4.306 1.00 0.00 ATOM 437 CB GLU 73 14.035 -6.984 3.784 1.00 0.00 ATOM 438 CG GLU 73 13.985 -8.348 4.454 1.00 0.00 ATOM 439 CD GLU 73 14.995 -9.319 3.875 1.00 0.00 ATOM 440 OE1 GLU 73 15.714 -8.934 2.929 1.00 0.00 ATOM 441 OE2 GLU 73 15.067 -10.465 4.367 1.00 0.00 ATOM 442 O GLU 73 14.292 -5.109 6.137 1.00 0.00 ATOM 443 C GLU 73 13.274 -5.726 5.786 1.00 0.00 ATOM 444 N GLY 74 12.360 -6.166 6.638 1.00 0.00 ATOM 445 CA GLY 74 12.551 -6.083 8.104 1.00 0.00 ATOM 446 O GLY 74 12.947 -4.622 9.943 1.00 0.00 ATOM 447 C GLY 74 12.616 -4.711 8.759 1.00 0.00 ATOM 448 N MET 75 12.296 -3.642 8.015 1.00 0.00 ATOM 449 CA MET 75 12.471 -2.280 8.545 1.00 0.00 ATOM 450 CB MET 75 12.382 -1.250 7.417 1.00 0.00 ATOM 451 CG MET 75 13.529 -1.318 6.422 1.00 0.00 ATOM 452 SD MET 75 13.368 -0.112 5.092 1.00 0.00 ATOM 453 CE MET 75 13.813 1.397 5.947 1.00 0.00 ATOM 454 O MET 75 10.320 -2.599 9.503 1.00 0.00 ATOM 455 C MET 75 11.383 -1.986 9.566 1.00 0.00 ATOM 456 N THR 76 11.648 -1.053 10.486 1.00 0.00 ATOM 457 CA THR 76 10.632 -0.562 11.414 1.00 0.00 ATOM 458 CB THR 76 11.263 0.224 12.578 1.00 0.00 ATOM 459 CG2 THR 76 12.254 -0.647 13.334 1.00 0.00 ATOM 460 OG1 THR 76 11.952 1.372 12.065 1.00 0.00 ATOM 461 O THR 76 10.040 0.840 9.525 1.00 0.00 ATOM 462 C THR 76 9.690 0.360 10.625 1.00 0.00 ATOM 463 N HIS 77 8.519 0.645 11.200 1.00 0.00 ATOM 464 CA HIS 77 7.610 1.618 10.630 1.00 0.00 ATOM 465 CB HIS 77 6.474 1.928 11.607 1.00 0.00 ATOM 466 CG HIS 77 5.533 2.987 11.121 1.00 0.00 ATOM 467 CD2 HIS 77 5.312 4.395 11.415 1.00 0.00 ATOM 468 ND1 HIS 77 4.571 2.744 10.163 1.00 0.00 ATOM 469 CE1 HIS 77 3.884 3.878 9.936 1.00 0.00 ATOM 470 NE2 HIS 77 4.323 4.871 10.685 1.00 0.00 ATOM 471 O HIS 77 8.288 3.470 9.227 1.00 0.00 ATOM 472 C HIS 77 8.377 2.917 10.324 1.00 0.00 ATOM 473 N THR 78 9.076 3.437 11.327 1.00 0.00 ATOM 474 CA THR 78 9.752 4.756 11.178 1.00 0.00 ATOM 475 CB THR 78 10.430 5.193 12.490 1.00 0.00 ATOM 476 CG2 THR 78 11.145 6.522 12.303 1.00 0.00 ATOM 477 OG1 THR 78 9.442 5.339 13.518 1.00 0.00 ATOM 478 O THR 78 11.002 5.677 9.359 1.00 0.00 ATOM 479 C THR 78 10.824 4.714 10.105 1.00 0.00 ATOM 480 N GLN 79 11.510 3.587 10.005 1.00 0.00 ATOM 481 CA GLN 79 12.509 3.426 8.944 1.00 0.00 ATOM 482 CB GLN 79 13.208 2.071 9.067 1.00 0.00 ATOM 483 CG GLN 79 14.142 1.961 10.262 1.00 0.00 ATOM 484 CD GLN 79 14.728 0.571 10.416 1.00 0.00 ATOM 485 OE1 GLN 79 14.372 -0.348 9.681 1.00 0.00 ATOM 486 NE2 GLN 79 15.634 0.416 11.376 1.00 0.00 ATOM 487 O GLN 79 12.443 4.122 6.640 1.00 0.00 ATOM 488 C GLN 79 11.878 3.500 7.554 1.00 0.00 ATOM 489 N ALA 80 10.741 2.823 7.380 1.00 0.00 ATOM 490 CA ALA 80 10.028 2.807 6.096 1.00 0.00 ATOM 491 CB ALA 80 8.807 1.905 6.178 1.00 0.00 ATOM 492 O ALA 80 9.721 4.681 4.586 1.00 0.00 ATOM 493 C ALA 80 9.569 4.227 5.736 1.00 0.00 ATOM 494 N VAL 81 9.034 4.956 6.723 1.00 0.00 ATOM 495 CA VAL 81 8.542 6.319 6.481 1.00 0.00 ATOM 496 CB VAL 81 7.937 6.936 7.755 1.00 0.00 ATOM 497 CG1 VAL 81 7.618 8.408 7.535 1.00 0.00 ATOM 498 CG2 VAL 81 6.651 6.218 8.135 1.00 0.00 ATOM 499 O VAL 81 9.578 7.991 5.062 1.00 0.00 ATOM 500 C VAL 81 9.717 7.198 6.016 1.00 0.00 ATOM 501 N ASN 82 10.863 7.070 6.686 1.00 0.00 ATOM 502 CA ASN 82 12.058 7.848 6.301 1.00 0.00 ATOM 503 CB ASN 82 13.237 7.506 7.214 1.00 0.00 ATOM 504 CG ASN 82 13.083 8.085 8.607 1.00 0.00 ATOM 505 ND2 ASN 82 13.821 7.532 9.561 1.00 0.00 ATOM 506 OD1 ASN 82 12.308 9.017 8.819 1.00 0.00 ATOM 507 O ASN 82 12.733 8.492 4.119 1.00 0.00 ATOM 508 C ASN 82 12.486 7.566 4.869 1.00 0.00 ATOM 509 N LEU 83 12.541 6.289 4.492 1.00 0.00 ATOM 510 CA LEU 83 12.954 5.907 3.127 1.00 0.00 ATOM 511 CB LEU 83 13.034 4.384 2.998 1.00 0.00 ATOM 512 CG LEU 83 13.467 3.842 1.635 1.00 0.00 ATOM 513 CD1 LEU 83 14.868 4.322 1.286 1.00 0.00 ATOM 514 CD2 LEU 83 13.472 2.321 1.638 1.00 0.00 ATOM 515 O LEU 83 12.329 7.028 1.103 1.00 0.00 ATOM 516 C LEU 83 11.940 6.432 2.103 1.00 0.00 ATOM 517 N LEU 84 10.646 6.266 2.389 1.00 0.00 ATOM 518 CA LEU 84 9.581 6.764 1.519 1.00 0.00 ATOM 519 CB LEU 84 8.209 6.370 2.070 1.00 0.00 ATOM 520 CG LEU 84 7.856 4.882 2.012 1.00 0.00 ATOM 521 CD1 LEU 84 6.557 4.608 2.752 1.00 0.00 ATOM 522 CD2 LEU 84 7.689 4.426 0.570 1.00 0.00 ATOM 523 O LEU 84 9.320 8.791 0.286 1.00 0.00 ATOM 524 C LEU 84 9.570 8.282 1.363 1.00 0.00 ATOM 525 N LYS 85 9.831 8.994 2.453 1.00 0.00 ATOM 526 CA LYS 85 9.777 10.452 2.441 1.00 0.00 ATOM 527 CB LYS 85 9.489 10.990 3.844 1.00 0.00 ATOM 528 CG LYS 85 8.146 10.560 4.411 1.00 0.00 ATOM 529 CD LYS 85 6.995 11.176 3.632 1.00 0.00 ATOM 530 CE LYS 85 5.656 10.825 4.257 1.00 0.00 ATOM 531 NZ LYS 85 4.517 11.416 3.500 1.00 0.00 ATOM 532 O LYS 85 10.991 12.343 1.591 1.00 0.00 ATOM 533 C LYS 85 11.058 11.171 1.979 1.00 0.00 ATOM 534 N ASN 86 12.209 10.505 2.023 1.00 0.00 ATOM 535 CA ASN 86 13.467 11.177 1.663 1.00 0.00 ATOM 536 CB ASN 86 14.588 10.764 2.619 1.00 0.00 ATOM 537 CG ASN 86 15.834 11.613 2.456 1.00 0.00 ATOM 538 ND2 ASN 86 16.967 11.089 2.908 1.00 0.00 ATOM 539 OD1 ASN 86 15.774 12.725 1.931 1.00 0.00 ATOM 540 O ASN 86 14.779 11.555 -0.302 1.00 0.00 ATOM 541 C ASN 86 13.938 10.843 0.245 1.00 0.00 ATOM 545 N GLY 89 13.149 12.552 -6.068 1.00 0.00 ATOM 546 CA GLY 89 12.605 12.516 -7.421 1.00 0.00 ATOM 547 O GLY 89 10.875 11.028 -6.723 1.00 0.00 ATOM 548 C GLY 89 11.577 11.432 -7.655 1.00 0.00 ATOM 549 N SER 90 11.489 10.989 -8.912 1.00 0.00 ATOM 550 CA SER 90 10.610 9.916 -9.371 1.00 0.00 ATOM 551 CB SER 90 10.903 9.570 -10.831 1.00 0.00 ATOM 552 OG SER 90 10.090 8.497 -11.274 1.00 0.00 ATOM 553 O SER 90 11.959 8.216 -8.307 1.00 0.00 ATOM 554 C SER 90 10.817 8.657 -8.522 1.00 0.00 ATOM 555 N ILE 91 9.713 8.096 -8.021 1.00 0.00 ATOM 556 CA ILE 91 9.801 7.039 -7.020 1.00 0.00 ATOM 557 CB ILE 91 8.984 7.385 -5.762 1.00 0.00 ATOM 558 CG1 ILE 91 9.439 8.726 -5.182 1.00 0.00 ATOM 559 CG2 ILE 91 9.167 6.313 -4.698 1.00 0.00 ATOM 560 CD1 ILE 91 10.896 8.752 -4.774 1.00 0.00 ATOM 561 O ILE 91 8.118 5.793 -8.091 1.00 0.00 ATOM 562 C ILE 91 9.253 5.781 -7.653 1.00 0.00 ATOM 563 N GLU 92 10.082 4.739 -7.763 1.00 0.00 ATOM 564 CA GLU 92 9.614 3.442 -8.263 1.00 0.00 ATOM 565 CB GLU 92 10.615 2.861 -9.264 1.00 0.00 ATOM 566 CG GLU 92 10.705 3.633 -10.570 1.00 0.00 ATOM 567 CD GLU 92 11.706 3.029 -11.536 1.00 0.00 ATOM 568 OE1 GLU 92 12.306 1.988 -11.196 1.00 0.00 ATOM 569 OE2 GLU 92 11.891 3.598 -12.632 1.00 0.00 ATOM 570 O GLU 92 10.476 2.172 -6.427 1.00 0.00 ATOM 571 C GLU 92 9.477 2.505 -7.056 1.00 0.00 ATOM 572 N MET 93 8.255 2.058 -6.789 1.00 0.00 ATOM 573 CA MET 93 7.987 1.168 -5.680 1.00 0.00 ATOM 574 CB MET 93 6.658 1.530 -5.011 1.00 0.00 ATOM 575 CG MET 93 6.618 2.933 -4.428 1.00 0.00 ATOM 576 SD MET 93 7.793 3.159 -3.079 1.00 0.00 ATOM 577 CE MET 93 7.108 2.056 -1.846 1.00 0.00 ATOM 578 O MET 93 7.172 -0.530 -7.191 1.00 0.00 ATOM 579 C MET 93 7.919 -0.259 -6.237 1.00 0.00 ATOM 580 N GLN 94 8.653 -1.184 -5.635 1.00 0.00 ATOM 581 CA GLN 94 8.462 -2.581 -6.011 1.00 0.00 ATOM 582 CB GLN 94 9.790 -3.337 -5.956 1.00 0.00 ATOM 583 CG GLN 94 9.698 -4.788 -6.400 1.00 0.00 ATOM 584 CD GLN 94 11.042 -5.488 -6.388 1.00 0.00 ATOM 585 OE1 GLN 94 12.071 -4.874 -6.102 1.00 0.00 ATOM 586 NE2 GLN 94 11.038 -6.779 -6.697 1.00 0.00 ATOM 587 O GLN 94 7.696 -2.896 -3.771 1.00 0.00 ATOM 588 C GLN 94 7.465 -3.076 -4.962 1.00 0.00 ATOM 589 N VAL 95 6.346 -3.652 -5.402 1.00 0.00 ATOM 590 CA VAL 95 5.293 -4.072 -4.440 1.00 0.00 ATOM 591 CB VAL 95 4.049 -3.171 -4.538 1.00 0.00 ATOM 592 CG1 VAL 95 4.399 -1.737 -4.168 1.00 0.00 ATOM 593 CG2 VAL 95 3.494 -3.180 -5.953 1.00 0.00 ATOM 594 O VAL 95 4.979 -5.997 -5.891 1.00 0.00 ATOM 595 C VAL 95 4.874 -5.510 -4.739 1.00 0.00 ATOM 596 N VAL 96 4.419 -6.228 -3.699 1.00 0.00 ATOM 597 CA VAL 96 3.790 -7.523 -3.869 1.00 0.00 ATOM 598 CB VAL 96 4.275 -8.529 -2.808 1.00 0.00 ATOM 599 CG1 VAL 96 3.574 -9.867 -2.982 1.00 0.00 ATOM 600 CG2 VAL 96 5.776 -8.753 -2.932 1.00 0.00 ATOM 601 O VAL 96 1.835 -6.788 -2.688 1.00 0.00 ATOM 602 C VAL 96 2.292 -7.292 -3.724 1.00 0.00 ATOM 603 N ALA 97 1.535 -7.662 -4.749 1.00 0.00 ATOM 604 CA ALA 97 0.138 -7.265 -4.816 1.00 0.00 ATOM 605 CB ALA 97 -0.086 -6.307 -5.975 1.00 0.00 ATOM 606 O ALA 97 -0.371 -9.489 -5.594 1.00 0.00 ATOM 607 C ALA 97 -0.775 -8.481 -5.021 1.00 0.00 ATOM 608 N GLY 98 -1.989 -8.416 -4.496 1.00 0.00 ATOM 609 CA GLY 98 -2.926 -9.510 -4.667 1.00 0.00 ATOM 610 O GLY 98 -3.899 -8.073 -6.288 1.00 0.00 ATOM 611 C GLY 98 -3.782 -9.215 -5.857 1.00 0.00 ATOM 612 N GLY 99 -4.345 -10.291 -6.387 1.00 0.00 ATOM 613 CA GLY 99 -5.322 -10.248 -7.434 1.00 0.00 ATOM 614 O GLY 99 -7.249 -8.816 -7.699 1.00 0.00 ATOM 615 C GLY 99 -6.595 -9.532 -6.941 1.00 0.00 ATOM 616 N ASP 100 -6.931 -9.728 -5.665 1.00 0.00 ATOM 617 CA ASP 100 -8.173 -9.150 -5.135 1.00 0.00 ATOM 618 CB ASP 100 -8.614 -9.896 -3.874 1.00 0.00 ATOM 619 CG ASP 100 -9.141 -11.285 -4.174 1.00 0.00 ATOM 620 OD1 ASP 100 -9.382 -11.586 -5.361 1.00 0.00 ATOM 621 OD2 ASP 100 -9.312 -12.074 -3.219 1.00 0.00 ATOM 622 O ASP 100 -6.876 -7.197 -4.474 1.00 0.00 ATOM 623 C ASP 100 -8.007 -7.670 -4.765 1.00 0.00 ATOM 624 N VAL 101 -9.123 -6.935 -4.809 1.00 0.00 ATOM 625 CA VAL 101 -9.088 -5.486 -4.491 1.00 0.00 ATOM 626 CB VAL 101 -9.274 -4.626 -5.755 1.00 0.00 ATOM 627 CG1 VAL 101 -8.035 -4.694 -6.633 1.00 0.00 ATOM 628 CG2 VAL 101 -10.464 -5.120 -6.565 1.00 0.00 ATOM 629 O VAL 101 -11.352 -5.543 -3.742 1.00 0.00 ATOM 630 C VAL 101 -10.219 -5.156 -3.505 1.00 0.00 TER END