PFRMAT TS TARGET T0311 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 8 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 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 T0311 had an easily predicted core (D11-W74), but the C-terminal METHOD helices had no obvious templates. We tried packing them in various METHOD ways by alternating between using ProteinShop to place them by hand METHOD and using undertaker to fix up the mess ProteinShop left behind. METHOD METHOD Model 1 is try12-opt2, our best-scoring model with undertaker. METHOD Model 2 is try12-opt2.gromacs0.repack-nonPC, the backbone that rosetta METHOD most likes repacking. It was obtained from try12-opt2 by METHOD doing a quick optimization with gromacs, then repacking the METHOD sidechains with rosetta. METHOD METHOD Model 3 is try5-opt2, which also scores well, but has a kink in the helix at S75. METHOD Model 4 is try9-opt2, a different helix-packing arrangement. METHOD Model 5 is try6-opt2, yet another helix-packing arrangement. METHOD METHOD All these models were based on the assumption of a monomer. METHOD REMARK 6 REMARK 6 T0311 model 2 Wed Jul 5 12:09:08 2006 MODEL 2 PARENT 1utx_A 2b5a_A 1lmb_3 1y7y_A 1adr REMARK 7 REMARK 7 ALLPARENTS 1utx_A 2b5a_A 1lmb_3 1y7y_A 1adr 1y9q_A 2a6c_A REMARK 7 ALLPARENTS 1r69 1b0n_A 1dwk_A 2bnm_A 2cro 1hlv_A 2auw_A REMARK 7 ALLPARENTS 1lli_A 1zzc_A 1umq_A 1cjg_A 2bjc_A 1jft_A 1rzs_A REMARK 7 ALLPARENTS 2awi_A 1rzr_A 2or1_L 1dw9_A 1neq ATOM 1 N MET 1 12.058 26.406 21.711 1.00 0.00 ATOM 2 CA MET 1 11.608 25.856 23.011 1.00 0.00 ATOM 3 CB MET 1 12.071 24.408 23.160 1.00 0.00 ATOM 4 CG MET 1 11.546 23.703 24.402 1.00 0.00 ATOM 5 SD MET 1 12.234 22.048 24.606 1.00 0.00 ATOM 6 CE MET 1 11.329 21.149 23.349 1.00 0.00 ATOM 7 O MET 1 13.321 27.101 24.111 1.00 0.00 ATOM 8 C MET 1 12.150 26.733 24.131 1.00 0.00 ATOM 9 N LYS 2 11.341 26.864 25.172 1.00 0.00 ATOM 10 CA LYS 2 11.753 27.582 26.383 1.00 0.00 ATOM 11 CB LYS 2 10.544 27.863 27.264 1.00 0.00 ATOM 12 CG LYS 2 9.525 28.766 26.595 1.00 0.00 ATOM 13 CD LYS 2 8.356 29.007 27.536 1.00 0.00 ATOM 14 CE LYS 2 7.488 30.070 26.878 1.00 0.00 ATOM 15 NZ LYS 2 6.209 30.152 27.568 1.00 0.00 ATOM 16 O LYS 2 13.833 27.466 27.551 1.00 0.00 ATOM 17 C LYS 2 12.852 26.829 27.171 1.00 0.00 ATOM 18 N MET 3 12.799 25.499 27.180 1.00 0.00 ATOM 19 CA MET 3 13.788 24.686 27.908 1.00 0.00 ATOM 20 CB MET 3 13.287 23.251 28.054 1.00 0.00 ATOM 21 CG MET 3 14.084 22.401 29.034 1.00 0.00 ATOM 22 SD MET 3 14.027 23.044 30.717 1.00 0.00 ATOM 23 CE MET 3 12.342 22.646 31.175 1.00 0.00 ATOM 24 O MET 3 16.198 24.761 27.827 1.00 0.00 ATOM 25 C MET 3 15.138 24.704 27.208 1.00 0.00 ATOM 26 N ALA 4 15.057 24.715 25.888 1.00 0.00 ATOM 27 CA ALA 4 16.247 24.764 25.047 1.00 0.00 ATOM 28 CB ALA 4 15.865 24.116 23.747 1.00 0.00 ATOM 29 O ALA 4 17.979 26.301 24.438 1.00 0.00 ATOM 30 C ALA 4 16.849 26.173 24.898 1.00 0.00 ATOM 31 N ASN 5 16.102 27.204 25.290 1.00 0.00 ATOM 32 CA ASN 5 16.664 28.573 25.351 1.00 0.00 ATOM 33 CB ASN 5 15.596 29.598 25.684 1.00 0.00 ATOM 34 CG ASN 5 14.636 29.858 24.557 1.00 0.00 ATOM 35 ND2 ASN 5 13.543 30.502 24.883 1.00 0.00 ATOM 36 OD1 ASN 5 14.912 29.546 23.393 1.00 0.00 ATOM 37 O ASN 5 18.906 29.097 26.001 1.00 0.00 ATOM 38 C ASN 5 17.805 28.679 26.351 1.00 0.00 ATOM 39 N HIS 6 17.515 28.299 27.591 1.00 0.00 ATOM 40 CA HIS 6 18.565 28.235 28.620 1.00 0.00 ATOM 41 CB HIS 6 17.991 27.736 29.950 1.00 0.00 ATOM 42 CG HIS 6 17.186 28.764 30.681 1.00 0.00 ATOM 43 CD2 HIS 6 17.151 30.113 30.573 1.00 0.00 ATOM 44 ND1 HIS 6 16.276 28.434 31.664 1.00 0.00 ATOM 45 CE1 HIS 6 15.718 29.539 32.130 1.00 0.00 ATOM 46 NE2 HIS 6 16.232 30.570 31.484 1.00 0.00 ATOM 47 O HIS 6 19.321 26.335 27.437 1.00 0.00 ATOM 48 C HIS 6 19.673 27.314 28.088 1.00 0.00 ATOM 49 N PRO 7 20.944 27.711 28.178 1.00 0.00 ATOM 50 CA PRO 7 22.052 26.899 27.657 1.00 0.00 ATOM 51 CB PRO 7 23.254 27.837 27.657 1.00 0.00 ATOM 52 CG PRO 7 22.937 28.816 28.778 1.00 0.00 ATOM 53 CD PRO 7 21.427 29.019 28.639 1.00 0.00 ATOM 54 O PRO 7 23.018 24.707 27.754 1.00 0.00 ATOM 55 C PRO 7 22.330 25.548 28.335 1.00 0.00 ATOM 56 N ARG 8 21.630 25.248 29.425 1.00 0.00 ATOM 57 CA ARG 8 21.737 23.947 30.154 1.00 0.00 ATOM 58 CB ARG 8 20.683 23.809 31.241 1.00 0.00 ATOM 59 CG ARG 8 20.701 24.908 32.292 1.00 0.00 ATOM 60 CD ARG 8 21.820 24.808 33.263 1.00 0.00 ATOM 61 NE ARG 8 23.103 25.257 32.751 1.00 0.00 ATOM 62 CZ ARG 8 23.486 26.547 32.670 1.00 0.00 ATOM 63 NH1 ARG 8 22.676 27.518 33.029 1.00 0.00 ATOM 64 NH2 ARG 8 24.691 26.812 32.195 1.00 0.00 ATOM 65 O ARG 8 22.493 21.786 29.431 1.00 0.00 ATOM 66 C ARG 8 21.704 22.708 29.222 1.00 0.00 ATOM 67 N PRO 9 20.744 22.611 28.273 1.00 0.00 ATOM 68 CA PRO 9 20.621 21.452 27.381 1.00 0.00 ATOM 69 CB PRO 9 19.371 21.706 26.532 1.00 0.00 ATOM 70 CG PRO 9 19.254 23.226 26.514 1.00 0.00 ATOM 71 CD PRO 9 19.656 23.554 27.944 1.00 0.00 ATOM 72 O PRO 9 22.167 20.020 26.279 1.00 0.00 ATOM 73 C PRO 9 21.850 21.191 26.510 1.00 0.00 ATOM 74 N GLY 10 22.572 22.260 26.151 1.00 0.00 ATOM 75 CA GLY 10 23.812 22.208 25.361 1.00 0.00 ATOM 76 O GLY 10 25.588 20.604 25.448 1.00 0.00 ATOM 77 C GLY 10 24.970 21.475 26.059 1.00 0.00 ATOM 78 N ASP 11 25.091 21.693 27.369 1.00 0.00 ATOM 79 CA ASP 11 26.100 20.980 28.198 1.00 0.00 ATOM 80 CB ASP 11 26.176 21.596 29.598 1.00 0.00 ATOM 81 CG ASP 11 26.855 22.957 29.650 1.00 0.00 ATOM 82 OD1 ASP 11 27.472 23.330 28.681 1.00 0.00 ATOM 83 OD2 ASP 11 26.622 23.679 30.591 1.00 0.00 ATOM 84 O ASP 11 26.656 18.629 28.095 1.00 0.00 ATOM 85 C ASP 11 25.807 19.481 28.316 1.00 0.00 ATOM 86 N ILE 12 24.517 19.183 28.437 1.00 0.00 ATOM 87 CA ILE 12 24.034 17.794 28.475 1.00 0.00 ATOM 88 CB ILE 12 22.526 17.728 28.781 1.00 0.00 ATOM 89 CG1 ILE 12 22.220 18.423 30.111 1.00 0.00 ATOM 90 CG2 ILE 12 22.052 16.284 28.810 1.00 0.00 ATOM 91 CD1 ILE 12 23.081 17.948 31.260 1.00 0.00 ATOM 92 O ILE 12 24.790 15.944 27.133 1.00 0.00 ATOM 93 C ILE 12 24.312 17.075 27.145 1.00 0.00 ATOM 94 N ILE 13 23.943 17.737 26.045 1.00 0.00 ATOM 95 CA ILE 13 24.161 17.178 24.695 1.00 0.00 ATOM 96 CB ILE 13 23.633 18.123 23.600 1.00 0.00 ATOM 97 CG1 ILE 13 22.106 18.208 23.658 1.00 0.00 ATOM 98 CG2 ILE 13 24.093 17.657 22.227 1.00 0.00 ATOM 99 CD1 ILE 13 21.533 19.404 22.933 1.00 0.00 ATOM 100 O ILE 13 26.008 15.815 24.022 1.00 0.00 ATOM 101 C ILE 13 25.660 16.905 24.464 1.00 0.00 ATOM 102 N GLN 14 26.492 17.843 24.904 1.00 0.00 ATOM 103 CA GLN 14 27.962 17.740 24.843 1.00 0.00 ATOM 104 CB GLN 14 28.612 18.999 25.424 1.00 0.00 ATOM 105 CG GLN 14 30.130 19.001 25.361 1.00 0.00 ATOM 106 CD GLN 14 30.730 20.277 25.920 1.00 0.00 ATOM 107 OE1 GLN 14 30.017 21.141 26.437 1.00 0.00 ATOM 108 NE2 GLN 14 32.048 20.405 25.816 1.00 0.00 ATOM 109 O GLN 14 29.178 15.658 25.040 1.00 0.00 ATOM 110 C GLN 14 28.480 16.498 25.602 1.00 0.00 ATOM 111 N GLU 15 27.950 16.328 26.812 1.00 0.00 ATOM 112 CA GLU 15 28.338 15.196 27.680 1.00 0.00 ATOM 113 CB GLU 15 27.743 15.366 29.080 1.00 0.00 ATOM 114 CG GLU 15 28.395 16.462 29.912 1.00 0.00 ATOM 115 CD GLU 15 29.861 16.195 30.114 1.00 0.00 ATOM 116 OE1 GLU 15 30.194 15.125 30.564 1.00 0.00 ATOM 117 OE2 GLU 15 30.653 17.015 29.714 1.00 0.00 ATOM 118 O GLU 15 28.703 12.956 26.898 1.00 0.00 ATOM 119 C GLU 15 27.895 13.858 27.079 1.00 0.00 ATOM 120 N SER 16 26.625 13.791 26.660 1.00 0.00 ATOM 121 CA SER 16 26.042 12.563 26.099 1.00 0.00 ATOM 122 CB SER 16 24.557 12.752 25.859 1.00 0.00 ATOM 123 OG SER 16 23.847 12.915 27.056 1.00 0.00 ATOM 124 O SER 16 27.108 10.992 24.616 1.00 0.00 ATOM 125 C SER 16 26.741 12.153 24.798 1.00 0.00 ATOM 126 N LEU 17 26.972 13.133 23.939 1.00 0.00 ATOM 127 CA LEU 17 27.661 12.903 22.658 1.00 0.00 ATOM 128 CB LEU 17 27.723 14.194 21.850 1.00 0.00 ATOM 129 CG LEU 17 26.364 14.587 21.291 1.00 0.00 ATOM 130 CD1 LEU 17 26.526 15.968 20.672 1.00 0.00 ATOM 131 CD2 LEU 17 25.991 13.569 20.220 1.00 0.00 ATOM 132 O LEU 17 29.448 11.360 22.256 1.00 0.00 ATOM 133 C LEU 17 29.100 12.400 22.827 1.00 0.00 ATOM 134 N ASP 18 29.822 13.058 23.727 1.00 0.00 ATOM 135 CA ASP 18 31.221 12.694 24.006 1.00 0.00 ATOM 136 CB ASP 18 31.889 13.760 24.879 1.00 0.00 ATOM 137 CG ASP 18 32.200 15.062 24.153 1.00 0.00 ATOM 138 OD1 ASP 18 32.131 15.079 22.947 1.00 0.00 ATOM 139 OD2 ASP 18 32.350 16.064 24.811 1.00 0.00 ATOM 140 O ASP 18 32.027 10.463 24.133 1.00 0.00 ATOM 141 C ASP 18 31.349 11.333 24.685 1.00 0.00 ATOM 142 N GLU 19 30.409 11.034 25.575 1.00 0.00 ATOM 143 CA GLU 19 30.336 9.714 26.223 1.00 0.00 ATOM 144 CB GLU 19 29.269 9.714 27.320 1.00 0.00 ATOM 145 CG GLU 19 29.630 10.537 28.549 1.00 0.00 ATOM 146 CD GLU 19 28.500 10.564 29.539 1.00 0.00 ATOM 147 OE1 GLU 19 27.463 10.020 29.244 1.00 0.00 ATOM 148 OE2 GLU 19 28.707 11.029 30.636 1.00 0.00 ATOM 149 O GLU 19 30.431 7.414 25.421 1.00 0.00 ATOM 150 C GLU 19 30.044 8.565 25.252 1.00 0.00 ATOM 151 N LEU 20 29.324 8.928 24.193 1.00 0.00 ATOM 152 CA LEU 20 28.981 7.970 23.112 1.00 0.00 ATOM 153 CB LEU 20 27.672 8.383 22.463 1.00 0.00 ATOM 154 CG LEU 20 26.512 8.315 23.434 1.00 0.00 ATOM 155 CD1 LEU 20 25.353 8.898 22.675 1.00 0.00 ATOM 156 CD2 LEU 20 26.209 6.885 23.922 1.00 0.00 ATOM 157 O LEU 20 29.848 7.021 21.100 1.00 0.00 ATOM 158 C LEU 20 30.040 7.819 22.021 1.00 0.00 ATOM 159 N ASN 21 31.062 8.677 22.082 1.00 0.00 ATOM 160 CA ASN 21 32.162 8.746 21.101 1.00 0.00 ATOM 161 CB ASN 21 32.887 7.417 20.987 1.00 0.00 ATOM 162 CG ASN 21 34.254 7.526 20.370 1.00 0.00 ATOM 163 ND2 ASN 21 34.649 6.484 19.683 1.00 0.00 ATOM 164 OD1 ASN 21 34.914 8.569 20.453 1.00 0.00 ATOM 165 O ASN 21 31.910 8.549 18.701 1.00 0.00 ATOM 166 C ASN 21 31.672 9.188 19.722 1.00 0.00 ATOM 167 N VAL 22 30.844 10.210 19.734 1.00 0.00 ATOM 168 CA VAL 22 30.315 10.783 18.484 1.00 0.00 ATOM 169 CB VAL 22 28.785 10.726 18.435 1.00 0.00 ATOM 170 CG1 VAL 22 28.225 11.308 17.136 1.00 0.00 ATOM 171 CG2 VAL 22 28.282 9.287 18.524 1.00 0.00 ATOM 172 O VAL 22 30.740 13.011 19.307 1.00 0.00 ATOM 173 C VAL 22 30.828 12.212 18.366 1.00 0.00 ATOM 174 N SER 23 31.438 12.482 17.226 1.00 0.00 ATOM 175 CA SER 23 31.830 13.861 16.897 1.00 0.00 ATOM 176 CB SER 23 32.730 13.951 15.677 1.00 0.00 ATOM 177 OG SER 23 32.109 13.753 14.407 1.00 0.00 ATOM 178 O SER 23 29.581 14.247 16.129 1.00 0.00 ATOM 179 C SER 23 30.602 14.724 16.619 1.00 0.00 ATOM 180 N LEU 24 30.845 16.034 16.640 1.00 0.00 ATOM 181 CA LEU 24 29.816 17.006 16.212 1.00 0.00 ATOM 182 CB LEU 24 30.290 18.437 16.494 1.00 0.00 ATOM 183 CG LEU 24 30.377 18.815 17.978 1.00 0.00 ATOM 184 CD1 LEU 24 31.022 20.185 18.132 1.00 0.00 ATOM 185 CD2 LEU 24 28.983 18.803 18.589 1.00 0.00 ATOM 186 O LEU 24 28.295 16.891 14.372 1.00 0.00 ATOM 187 C LEU 24 29.465 16.858 14.732 1.00 0.00 ATOM 188 N ARG 25 30.464 16.567 13.911 1.00 0.00 ATOM 189 CA ARG 25 30.213 16.259 12.481 1.00 0.00 ATOM 190 CB ARG 25 31.504 16.130 11.686 1.00 0.00 ATOM 191 CG ARG 25 32.251 17.435 11.462 1.00 0.00 ATOM 192 CD ARG 25 33.534 17.289 10.729 1.00 0.00 ATOM 193 NE ARG 25 34.270 18.529 10.547 1.00 0.00 ATOM 194 CZ ARG 25 35.480 18.623 9.964 1.00 0.00 ATOM 195 NH1 ARG 25 36.112 17.551 9.538 1.00 0.00 ATOM 196 NH2 ARG 25 36.029 19.821 9.851 1.00 0.00 ATOM 197 O ARG 25 28.380 15.044 11.510 1.00 0.00 ATOM 198 C ARG 25 29.330 15.011 12.290 1.00 0.00 ATOM 199 N GLU 26 29.668 13.940 12.998 1.00 0.00 ATOM 200 CA GLU 26 28.926 12.672 12.907 1.00 0.00 ATOM 201 CB GLU 26 29.651 11.569 13.683 1.00 0.00 ATOM 202 CG GLU 26 30.954 11.106 13.047 1.00 0.00 ATOM 203 CD GLU 26 31.670 10.119 13.927 1.00 0.00 ATOM 204 OE1 GLU 26 31.202 9.871 15.012 1.00 0.00 ATOM 205 OE2 GLU 26 32.622 9.529 13.471 1.00 0.00 ATOM 206 O GLU 26 26.555 12.417 12.708 1.00 0.00 ATOM 207 C GLU 26 27.486 12.774 13.418 1.00 0.00 ATOM 208 N PHE 27 27.338 13.463 14.549 1.00 0.00 ATOM 209 CA PHE 27 26.019 13.685 15.160 1.00 0.00 ATOM 210 CB PHE 27 26.251 14.323 16.530 1.00 0.00 ATOM 211 CG PHE 27 24.982 14.635 17.331 1.00 0.00 ATOM 212 CD1 PHE 27 24.010 13.686 17.601 1.00 0.00 ATOM 213 CD2 PHE 27 24.885 15.884 17.903 1.00 0.00 ATOM 214 CE1 PHE 27 22.951 13.998 18.432 1.00 0.00 ATOM 215 CE2 PHE 27 23.826 16.206 18.744 1.00 0.00 ATOM 216 CZ PHE 27 22.864 15.247 19.013 1.00 0.00 ATOM 217 O PHE 27 23.989 14.210 14.001 1.00 0.00 ATOM 218 C PHE 27 25.130 14.558 14.261 1.00 0.00 ATOM 219 N ALA 28 25.752 15.557 13.642 1.00 0.00 ATOM 220 CA ALA 28 25.083 16.440 12.673 1.00 0.00 ATOM 221 CB ALA 28 26.045 17.548 12.244 1.00 0.00 ATOM 222 O ALA 28 23.401 15.675 11.183 1.00 0.00 ATOM 223 C ALA 28 24.591 15.652 11.463 1.00 0.00 ATOM 224 N ARG 29 25.439 14.761 10.971 1.00 0.00 ATOM 225 CA ARG 29 25.097 13.883 9.861 1.00 0.00 ATOM 226 CB ARG 29 26.311 13.145 9.317 1.00 0.00 ATOM 227 CG ARG 29 27.303 14.015 8.562 1.00 0.00 ATOM 228 CD ARG 29 28.508 13.292 8.079 1.00 0.00 ATOM 229 NE ARG 29 29.474 14.128 7.385 1.00 0.00 ATOM 230 CZ ARG 29 30.655 13.693 6.903 1.00 0.00 ATOM 231 NH1 ARG 29 31.037 12.447 7.070 1.00 0.00 ATOM 232 NH2 ARG 29 31.431 14.561 6.278 1.00 0.00 ATOM 233 O ARG 29 23.054 12.708 9.330 1.00 0.00 ATOM 234 C ARG 29 23.985 12.865 10.130 1.00 0.00 ATOM 235 N ALA 30 24.124 12.183 11.249 1.00 0.00 ATOM 236 CA ALA 30 23.102 11.205 11.669 1.00 0.00 ATOM 237 CB ALA 30 23.641 10.412 12.847 1.00 0.00 ATOM 238 O ALA 30 20.712 11.280 11.630 1.00 0.00 ATOM 239 C ALA 30 21.744 11.847 11.970 1.00 0.00 ATOM 240 N MET 31 21.766 13.087 12.461 1.00 0.00 ATOM 241 CA MET 31 20.528 13.809 12.823 1.00 0.00 ATOM 242 CB MET 31 20.760 14.587 14.124 1.00 0.00 ATOM 243 CG MET 31 21.193 16.016 13.855 1.00 0.00 ATOM 244 SD MET 31 21.266 17.135 15.286 1.00 0.00 ATOM 245 CE MET 31 22.976 17.041 15.695 1.00 0.00 ATOM 246 O MET 31 18.991 15.463 11.915 1.00 0.00 ATOM 247 C MET 31 19.929 14.681 11.694 1.00 0.00 ATOM 248 N GLU 32 20.679 14.761 10.604 1.00 0.00 ATOM 249 CA GLU 32 20.350 15.563 9.415 1.00 0.00 ATOM 250 CB GLU 32 19.032 15.090 8.798 1.00 0.00 ATOM 251 CG GLU 32 19.049 13.653 8.300 1.00 0.00 ATOM 252 CD GLU 32 17.727 13.266 7.699 1.00 0.00 ATOM 253 OE1 GLU 32 16.839 14.084 7.687 1.00 0.00 ATOM 254 OE2 GLU 32 17.639 12.194 7.148 1.00 0.00 ATOM 255 O GLU 32 19.394 17.835 9.328 1.00 0.00 ATOM 256 C GLU 32 20.263 17.083 9.757 1.00 0.00 ATOM 257 N ILE 33 21.254 17.510 10.537 1.00 0.00 ATOM 258 CA ILE 33 21.497 18.909 10.958 1.00 0.00 ATOM 259 CB ILE 33 21.338 18.988 12.488 1.00 0.00 ATOM 260 CG1 ILE 33 20.050 19.720 12.840 1.00 0.00 ATOM 261 CG2 ILE 33 22.510 19.534 13.318 1.00 0.00 ATOM 262 CD1 ILE 33 18.808 18.883 12.559 1.00 0.00 ATOM 263 O ILE 33 23.867 18.715 10.527 1.00 0.00 ATOM 264 C ILE 33 22.858 19.417 10.478 1.00 0.00 ATOM 265 N ALA 34 22.901 20.737 10.299 1.00 0.00 ATOM 266 CA ALA 34 24.172 21.455 10.059 1.00 0.00 ATOM 267 CB ALA 34 23.915 22.945 9.801 1.00 0.00 ATOM 268 O ALA 34 24.734 21.571 12.409 1.00 0.00 ATOM 269 C ALA 34 25.123 21.291 11.269 1.00 0.00 ATOM 270 N PRO 35 26.392 20.969 11.008 1.00 0.00 ATOM 271 CA PRO 35 27.432 20.906 12.057 1.00 0.00 ATOM 272 CB PRO 35 28.711 20.524 11.306 1.00 0.00 ATOM 273 CG PRO 35 28.179 19.666 10.165 1.00 0.00 ATOM 274 CD PRO 35 26.900 20.389 9.747 1.00 0.00 ATOM 275 O PRO 35 27.636 22.233 14.049 1.00 0.00 ATOM 276 C PRO 35 27.575 22.235 12.819 1.00 0.00 ATOM 277 N SER 36 27.417 23.356 12.120 1.00 0.00 ATOM 278 CA SER 36 27.420 24.675 12.811 1.00 0.00 ATOM 279 CB SER 36 27.327 25.797 11.796 1.00 0.00 ATOM 280 OG SER 36 28.462 25.861 10.976 1.00 0.00 ATOM 281 O SER 36 26.423 25.465 14.843 1.00 0.00 ATOM 282 C SER 36 26.281 24.786 13.822 1.00 0.00 ATOM 283 N THR 37 25.130 24.219 13.462 1.00 0.00 ATOM 284 CA THR 37 23.920 24.190 14.313 1.00 0.00 ATOM 285 CB THR 37 22.722 23.569 13.571 1.00 0.00 ATOM 286 CG2 THR 37 21.507 23.501 14.483 1.00 0.00 ATOM 287 OG1 THR 37 22.406 24.362 12.419 1.00 0.00 ATOM 288 O THR 37 23.791 23.888 16.662 1.00 0.00 ATOM 289 C THR 37 24.169 23.408 15.602 1.00 0.00 ATOM 290 N ALA 38 24.787 22.237 15.480 1.00 0.00 ATOM 291 CA ALA 38 25.125 21.395 16.639 1.00 0.00 ATOM 292 CB ALA 38 25.722 20.065 16.187 1.00 0.00 ATOM 293 O ALA 38 25.698 22.292 18.800 1.00 0.00 ATOM 294 C ALA 38 26.037 22.102 17.639 1.00 0.00 ATOM 295 N SER 39 27.009 22.801 17.070 1.00 0.00 ATOM 296 CA SER 39 27.951 23.638 17.840 1.00 0.00 ATOM 297 CB SER 39 29.059 24.144 16.937 1.00 0.00 ATOM 298 OG SER 39 29.873 23.103 16.469 1.00 0.00 ATOM 299 O SER 39 27.395 25.067 19.712 1.00 0.00 ATOM 300 C SER 39 27.243 24.829 18.522 1.00 0.00 ATOM 301 N ARG 40 26.334 25.442 17.763 1.00 0.00 ATOM 302 CA ARG 40 25.467 26.543 18.215 1.00 0.00 ATOM 303 CB ARG 40 24.595 27.085 17.092 1.00 0.00 ATOM 304 CG ARG 40 25.342 27.869 16.024 1.00 0.00 ATOM 305 CD ARG 40 24.489 28.351 14.908 1.00 0.00 ATOM 306 NE ARG 40 25.208 29.062 13.864 1.00 0.00 ATOM 307 CZ ARG 40 24.648 29.524 12.727 1.00 0.00 ATOM 308 NH1 ARG 40 23.376 29.319 12.468 1.00 0.00 ATOM 309 NH2 ARG 40 25.419 30.167 11.869 1.00 0.00 ATOM 310 O ARG 40 24.449 26.862 20.385 1.00 0.00 ATOM 311 C ARG 40 24.627 26.123 19.425 1.00 0.00 ATOM 312 N LEU 41 23.994 24.965 19.294 1.00 0.00 ATOM 313 CA LEU 41 23.133 24.405 20.353 1.00 0.00 ATOM 314 CB LEU 41 22.396 23.163 19.836 1.00 0.00 ATOM 315 CG LEU 41 21.455 23.410 18.650 1.00 0.00 ATOM 316 CD1 LEU 41 21.082 22.087 17.996 1.00 0.00 ATOM 317 CD2 LEU 41 20.211 24.143 19.131 1.00 0.00 ATOM 318 O LEU 41 23.414 24.312 22.723 1.00 0.00 ATOM 319 C LEU 41 23.893 24.042 21.623 1.00 0.00 ATOM 320 N LEU 42 25.112 23.560 21.431 1.00 0.00 ATOM 321 CA LEU 42 26.022 23.257 22.551 1.00 0.00 ATOM 322 CB LEU 42 27.291 22.569 22.031 1.00 0.00 ATOM 323 CG LEU 42 27.377 21.062 22.308 1.00 0.00 ATOM 324 CD1 LEU 42 26.286 20.327 21.541 1.00 0.00 ATOM 325 CD2 LEU 42 28.753 20.550 21.912 1.00 0.00 ATOM 326 O LEU 42 26.566 24.423 24.582 1.00 0.00 ATOM 327 C LEU 42 26.415 24.495 23.362 1.00 0.00 ATOM 328 N THR 43 26.377 25.656 22.703 1.00 0.00 ATOM 329 CA THR 43 26.700 26.955 23.314 1.00 0.00 ATOM 330 CB THR 43 27.531 27.834 22.355 1.00 0.00 ATOM 331 CG2 THR 43 28.830 27.142 21.944 1.00 0.00 ATOM 332 OG1 THR 43 26.772 28.177 21.186 1.00 0.00 ATOM 333 O THR 43 25.534 28.796 24.357 1.00 0.00 ATOM 334 C THR 43 25.442 27.707 23.806 1.00 0.00 ATOM 335 N GLY 44 24.271 27.169 23.476 1.00 0.00 ATOM 336 CA GLY 44 22.952 27.742 23.807 1.00 0.00 ATOM 337 O GLY 44 21.555 29.585 23.140 1.00 0.00 ATOM 338 C GLY 44 22.544 28.894 22.889 1.00 0.00 ATOM 339 N LYS 45 23.194 28.983 21.728 1.00 0.00 ATOM 340 CA LYS 45 22.915 30.055 20.750 1.00 0.00 ATOM 341 CB LYS 45 24.021 30.118 19.695 1.00 0.00 ATOM 342 CG LYS 45 25.367 30.599 20.222 1.00 0.00 ATOM 343 CD LYS 45 26.419 30.614 19.124 1.00 0.00 ATOM 344 CE LYS 45 27.757 31.117 19.644 1.00 0.00 ATOM 345 NZ LYS 45 28.799 31.126 18.582 1.00 0.00 ATOM 346 O LYS 45 21.056 30.780 19.402 1.00 0.00 ATOM 347 C LYS 45 21.554 29.869 20.060 1.00 0.00 ATOM 348 N ALA 46 21.022 28.660 20.029 1.00 0.00 ATOM 349 CA ALA 46 19.821 28.443 19.210 1.00 0.00 ATOM 350 CB ALA 46 20.058 27.354 18.188 1.00 0.00 ATOM 351 O ALA 46 18.660 27.364 20.989 1.00 0.00 ATOM 352 C ALA 46 18.581 28.085 20.000 1.00 0.00 ATOM 353 N ALA 47 17.482 28.638 19.491 1.00 0.00 ATOM 354 CA ALA 47 16.131 28.340 20.001 1.00 0.00 ATOM 355 CB ALA 47 15.133 29.343 19.403 1.00 0.00 ATOM 356 O ALA 47 15.007 26.604 18.730 1.00 0.00 ATOM 357 C ALA 47 15.818 26.891 19.610 1.00 0.00 ATOM 358 N LEU 48 16.517 25.979 20.258 1.00 0.00 ATOM 359 CA LEU 48 16.354 24.539 20.027 1.00 0.00 ATOM 360 CB LEU 48 17.407 23.753 20.816 1.00 0.00 ATOM 361 CG LEU 48 17.250 22.228 20.775 1.00 0.00 ATOM 362 CD1 LEU 48 17.477 21.717 19.359 1.00 0.00 ATOM 363 CD2 LEU 48 18.234 21.589 21.744 1.00 0.00 ATOM 364 O LEU 48 14.345 24.812 21.318 1.00 0.00 ATOM 365 C LEU 48 14.933 24.202 20.437 1.00 0.00 ATOM 366 N THR 49 14.321 23.444 19.547 1.00 0.00 ATOM 367 CA THR 49 12.881 23.167 19.687 1.00 0.00 ATOM 368 CB THR 49 12.121 23.840 18.528 1.00 0.00 ATOM 369 CG2 THR 49 12.374 25.349 18.410 1.00 0.00 ATOM 370 OG1 THR 49 12.289 23.141 17.307 1.00 0.00 ATOM 371 O THR 49 13.596 20.885 19.764 1.00 0.00 ATOM 372 C THR 49 12.628 21.647 19.806 1.00 0.00 ATOM 373 N PRO 50 11.367 21.220 19.996 1.00 0.00 ATOM 374 CA PRO 50 11.034 19.810 20.244 1.00 0.00 ATOM 375 CB PRO 50 9.514 19.733 20.345 1.00 0.00 ATOM 376 CG PRO 50 9.057 21.144 20.677 1.00 0.00 ATOM 377 CD PRO 50 10.169 22.062 20.177 1.00 0.00 ATOM 378 O PRO 50 12.190 17.838 19.551 1.00 0.00 ATOM 379 C PRO 50 11.541 18.810 19.183 1.00 0.00 ATOM 380 N GLU 51 11.482 19.182 17.903 1.00 0.00 ATOM 381 CA GLU 51 11.859 18.242 16.822 1.00 0.00 ATOM 382 CB GLU 51 11.447 18.801 15.458 1.00 0.00 ATOM 383 CG GLU 51 9.944 18.828 15.218 1.00 0.00 ATOM 384 CD GLU 51 9.610 19.514 13.923 1.00 0.00 ATOM 385 OE1 GLU 51 10.510 20.007 13.284 1.00 0.00 ATOM 386 OE2 GLU 51 8.475 19.451 13.515 1.00 0.00 ATOM 387 O GLU 51 13.766 16.798 16.810 1.00 0.00 ATOM 388 C GLU 51 13.348 17.949 16.831 1.00 0.00 ATOM 389 N MET 52 14.141 19.017 16.872 1.00 0.00 ATOM 390 CA MET 52 15.600 18.824 16.911 1.00 0.00 ATOM 391 CB MET 52 16.314 20.167 16.768 1.00 0.00 ATOM 392 CG MET 52 16.334 20.723 15.352 1.00 0.00 ATOM 393 SD MET 52 17.398 22.171 15.187 1.00 0.00 ATOM 394 CE MET 52 16.395 23.419 15.988 1.00 0.00 ATOM 395 O MET 52 16.697 17.121 18.108 1.00 0.00 ATOM 396 C MET 52 16.030 18.132 18.200 1.00 0.00 ATOM 397 N ALA 53 15.421 18.512 19.321 1.00 0.00 ATOM 398 CA ALA 53 15.700 17.870 20.620 1.00 0.00 ATOM 399 CB ALA 53 14.802 18.511 21.671 1.00 0.00 ATOM 400 O ALA 53 16.456 15.608 20.877 1.00 0.00 ATOM 401 C ALA 53 15.517 16.340 20.548 1.00 0.00 ATOM 402 N ILE 54 14.486 15.903 19.818 1.00 0.00 ATOM 403 CA ILE 54 14.243 14.474 19.547 1.00 0.00 ATOM 404 CB ILE 54 12.812 14.218 19.047 1.00 0.00 ATOM 405 CG1 ILE 54 11.843 14.588 20.178 1.00 0.00 ATOM 406 CG2 ILE 54 12.579 12.759 18.646 1.00 0.00 ATOM 407 CD1 ILE 54 10.403 14.672 19.679 1.00 0.00 ATOM 408 O ILE 54 15.779 12.792 18.744 1.00 0.00 ATOM 409 C ILE 54 15.261 13.893 18.545 1.00 0.00 ATOM 410 N LYS 55 15.502 14.594 17.446 1.00 0.00 ATOM 411 CA LYS 55 16.501 14.133 16.455 1.00 0.00 ATOM 412 CB LYS 55 16.702 15.154 15.346 1.00 0.00 ATOM 413 CG LYS 55 15.482 15.217 14.447 1.00 0.00 ATOM 414 CD LYS 55 15.783 16.228 13.368 1.00 0.00 ATOM 415 CE LYS 55 14.553 16.251 12.498 1.00 0.00 ATOM 416 NZ LYS 55 14.744 17.272 11.480 1.00 0.00 ATOM 417 O LYS 55 18.398 12.779 17.013 1.00 0.00 ATOM 418 C LYS 55 17.860 13.870 17.104 1.00 0.00 ATOM 419 N LEU 56 18.213 14.778 18.015 1.00 0.00 ATOM 420 CA LEU 56 19.453 14.744 18.804 1.00 0.00 ATOM 421 CB LEU 56 19.628 16.060 19.572 1.00 0.00 ATOM 422 CG LEU 56 20.333 17.181 18.796 1.00 0.00 ATOM 423 CD1 LEU 56 19.533 17.535 17.549 1.00 0.00 ATOM 424 CD2 LEU 56 20.498 18.396 19.695 1.00 0.00 ATOM 425 O LEU 56 20.379 12.761 19.812 1.00 0.00 ATOM 426 C LEU 56 19.441 13.553 19.763 1.00 0.00 ATOM 427 N SER 57 18.371 13.435 20.543 1.00 0.00 ATOM 428 CA SER 57 18.269 12.324 21.522 1.00 0.00 ATOM 429 CB SER 57 17.045 12.510 22.398 1.00 0.00 ATOM 430 OG SER 57 15.861 12.179 21.724 1.00 0.00 ATOM 431 O SER 57 18.915 10.023 21.259 1.00 0.00 ATOM 432 C SER 57 18.216 10.945 20.841 1.00 0.00 ATOM 433 N VAL 58 17.565 10.867 19.691 1.00 0.00 ATOM 434 CA VAL 58 17.513 9.638 18.870 1.00 0.00 ATOM 435 CB VAL 58 16.612 9.791 17.630 1.00 0.00 ATOM 436 CG1 VAL 58 16.669 8.622 16.649 1.00 0.00 ATOM 437 CG2 VAL 58 15.182 9.774 18.091 1.00 0.00 ATOM 438 O VAL 58 19.339 8.145 18.597 1.00 0.00 ATOM 439 C VAL 58 18.912 9.276 18.408 1.00 0.00 ATOM 440 N VAL 59 19.613 10.255 17.879 1.00 0.00 ATOM 441 CA VAL 59 20.953 10.013 17.298 1.00 0.00 ATOM 442 CB VAL 59 21.395 11.253 16.519 1.00 0.00 ATOM 443 CG1 VAL 59 22.794 11.071 15.969 1.00 0.00 ATOM 444 CG2 VAL 59 20.484 11.376 15.300 1.00 0.00 ATOM 445 O VAL 59 22.910 8.798 18.056 1.00 0.00 ATOM 446 C VAL 59 21.962 9.540 18.347 1.00 0.00 ATOM 447 N ILE 60 21.734 9.969 19.578 1.00 0.00 ATOM 448 CA ILE 60 22.563 9.576 20.727 1.00 0.00 ATOM 449 CB ILE 60 22.686 10.704 21.758 1.00 0.00 ATOM 450 CG1 ILE 60 21.357 11.056 22.439 1.00 0.00 ATOM 451 CG2 ILE 60 23.258 11.944 21.089 1.00 0.00 ATOM 452 CD1 ILE 60 21.490 11.915 23.690 1.00 0.00 ATOM 453 O ILE 60 22.720 7.764 22.305 1.00 0.00 ATOM 454 C ILE 60 22.091 8.266 21.386 1.00 0.00 ATOM 455 N GLY 61 20.910 7.809 20.986 1.00 0.00 ATOM 456 CA GLY 61 20.248 6.610 21.525 1.00 0.00 ATOM 457 O GLY 61 19.657 5.878 23.734 1.00 0.00 ATOM 458 C GLY 61 19.779 6.819 22.965 1.00 0.00 ATOM 459 N SER 62 19.412 8.049 23.287 1.00 0.00 ATOM 460 CA SER 62 18.923 8.339 24.637 1.00 0.00 ATOM 461 CB SER 62 19.870 9.289 25.343 1.00 0.00 ATOM 462 OG SER 62 19.390 9.675 26.601 1.00 0.00 ATOM 463 O SER 62 17.175 9.724 23.710 1.00 0.00 ATOM 464 C SER 62 17.514 8.922 24.579 1.00 0.00 ATOM 465 N SER 63 16.703 8.462 25.519 1.00 0.00 ATOM 466 CA SER 63 15.335 8.985 25.620 1.00 0.00 ATOM 467 CB SER 63 14.570 8.239 26.697 1.00 0.00 ATOM 468 OG SER 63 13.281 8.758 26.880 1.00 0.00 ATOM 469 O SER 63 16.159 10.972 26.712 1.00 0.00 ATOM 470 C SER 63 15.348 10.495 25.912 1.00 0.00 ATOM 471 N PRO 64 14.419 11.237 25.303 1.00 0.00 ATOM 472 CA PRO 64 14.242 12.677 25.565 1.00 0.00 ATOM 473 CB PRO 64 13.042 13.071 24.706 1.00 0.00 ATOM 474 CG PRO 64 13.140 12.112 23.525 1.00 0.00 ATOM 475 CD PRO 64 13.548 10.800 24.203 1.00 0.00 ATOM 476 O PRO 64 14.426 13.945 27.616 1.00 0.00 ATOM 477 C PRO 64 13.983 12.956 27.055 1.00 0.00 ATOM 478 N GLN 65 13.372 11.977 27.714 1.00 0.00 ATOM 479 CA GLN 65 13.122 11.926 29.174 1.00 0.00 ATOM 480 CB GLN 65 12.422 10.618 29.553 1.00 0.00 ATOM 481 CG GLN 65 12.093 10.493 31.031 1.00 0.00 ATOM 482 CD GLN 65 11.378 9.196 31.357 1.00 0.00 ATOM 483 OE1 GLN 65 11.167 8.350 30.483 1.00 0.00 ATOM 484 NE2 GLN 65 10.997 9.032 32.619 1.00 0.00 ATOM 485 O GLN 65 14.605 12.901 30.825 1.00 0.00 ATOM 486 C GLN 65 14.443 12.062 29.944 1.00 0.00 ATOM 487 N MET 66 15.371 11.201 29.572 1.00 0.00 ATOM 488 CA MET 66 16.721 11.167 30.162 1.00 0.00 ATOM 489 CB MET 66 17.429 9.926 29.620 1.00 0.00 ATOM 490 CG MET 66 16.796 8.687 30.229 1.00 0.00 ATOM 491 SD MET 66 16.817 8.475 32.049 1.00 0.00 ATOM 492 CE MET 66 18.547 8.241 32.408 1.00 0.00 ATOM 493 O MET 66 18.175 13.004 30.753 1.00 0.00 ATOM 494 C MET 66 17.534 12.436 29.873 1.00 0.00 ATOM 495 N TRP 67 17.334 12.948 28.673 1.00 0.00 ATOM 496 CA TRP 67 17.857 14.237 28.165 1.00 0.00 ATOM 497 CB TRP 67 17.342 14.499 26.748 1.00 0.00 ATOM 498 CG TRP 67 17.838 15.785 26.159 1.00 0.00 ATOM 499 CD1 TRP 67 19.089 16.033 25.678 1.00 0.00 ATOM 500 CD2 TRP 67 17.094 16.998 25.989 1.00 0.00 ATOM 501 CE2 TRP 67 17.958 17.938 25.400 1.00 0.00 ATOM 502 CE3 TRP 67 15.778 17.379 26.280 1.00 0.00 ATOM 503 NE1 TRP 67 19.172 17.325 25.220 1.00 0.00 ATOM 504 CZ2 TRP 67 17.555 19.229 25.095 1.00 0.00 ATOM 505 CZ3 TRP 67 15.375 18.674 25.974 1.00 0.00 ATOM 506 CH2 TRP 67 16.237 19.572 25.398 1.00 0.00 ATOM 507 O TRP 67 18.301 16.095 29.646 1.00 0.00 ATOM 508 C TRP 67 17.459 15.387 29.096 1.00 0.00 ATOM 509 N LEU 68 16.150 15.469 29.347 1.00 0.00 ATOM 510 CA LEU 68 15.562 16.510 30.218 1.00 0.00 ATOM 511 CB LEU 68 14.035 16.525 30.070 1.00 0.00 ATOM 512 CG LEU 68 13.315 17.631 30.851 1.00 0.00 ATOM 513 CD1 LEU 68 13.796 18.999 30.383 1.00 0.00 ATOM 514 CD2 LEU 68 11.813 17.495 30.658 1.00 0.00 ATOM 515 O LEU 68 16.205 17.286 32.389 1.00 0.00 ATOM 516 C LEU 68 15.943 16.307 31.688 1.00 0.00 ATOM 517 N ASN 69 16.090 15.056 32.126 1.00 0.00 ATOM 518 CA ASN 69 16.530 14.774 33.506 1.00 0.00 ATOM 519 CB ASN 69 16.453 13.292 33.820 1.00 0.00 ATOM 520 CG ASN 69 15.049 12.782 33.996 1.00 0.00 ATOM 521 ND2 ASN 69 14.908 11.483 33.937 1.00 0.00 ATOM 522 OD1 ASN 69 14.116 13.552 34.257 1.00 0.00 ATOM 523 O ASN 69 18.114 15.999 34.796 1.00 0.00 ATOM 524 C ASN 69 17.932 15.261 33.826 1.00 0.00 ATOM 525 N LEU 70 18.811 15.070 32.845 1.00 0.00 ATOM 526 CA LEU 70 20.192 15.567 32.925 1.00 0.00 ATOM 527 CB LEU 70 21.035 14.976 31.788 1.00 0.00 ATOM 528 CG LEU 70 21.163 13.446 31.798 1.00 0.00 ATOM 529 CD1 LEU 70 21.865 12.973 30.533 1.00 0.00 ATOM 530 CD2 LEU 70 21.930 13.008 33.037 1.00 0.00 ATOM 531 O LEU 70 20.907 17.745 33.667 1.00 0.00 ATOM 532 C LEU 70 20.215 17.097 32.877 1.00 0.00 ATOM 533 N GLN 71 19.356 17.680 32.048 1.00 0.00 ATOM 534 CA GLN 71 19.199 19.140 31.939 1.00 0.00 ATOM 535 CB GLN 71 18.186 19.490 30.846 1.00 0.00 ATOM 536 CG GLN 71 17.922 20.979 30.696 1.00 0.00 ATOM 537 CD GLN 71 16.953 21.504 31.738 1.00 0.00 ATOM 538 OE1 GLN 71 16.007 20.814 32.129 1.00 0.00 ATOM 539 NE2 GLN 71 17.181 22.731 32.192 1.00 0.00 ATOM 540 O GLN 71 19.273 20.778 33.711 1.00 0.00 ATOM 541 C GLN 71 18.750 19.750 33.280 1.00 0.00 ATOM 542 N ASN 72 17.769 19.101 33.890 1.00 0.00 ATOM 543 CA ASN 72 17.301 19.490 35.231 1.00 0.00 ATOM 544 CB ASN 72 16.073 18.699 35.640 1.00 0.00 ATOM 545 CG ASN 72 14.821 19.106 34.914 1.00 0.00 ATOM 546 ND2 ASN 72 13.828 18.256 34.980 1.00 0.00 ATOM 547 OD1 ASN 72 14.729 20.208 34.361 1.00 0.00 ATOM 548 O ASN 72 18.533 20.196 37.141 1.00 0.00 ATOM 549 C ASN 72 18.381 19.337 36.290 1.00 0.00 ATOM 550 N ALA 73 19.209 18.305 36.168 1.00 0.00 ATOM 551 CA ALA 73 20.329 18.092 37.098 1.00 0.00 ATOM 552 CB ALA 73 21.006 16.761 36.826 1.00 0.00 ATOM 553 O ALA 73 21.833 19.748 37.989 1.00 0.00 ATOM 554 C ALA 73 21.391 19.200 36.988 1.00 0.00 ATOM 555 N TRP 74 21.671 19.621 35.749 1.00 0.00 ATOM 556 CA TRP 74 22.624 20.719 35.489 1.00 0.00 ATOM 557 CB TRP 74 22.873 20.865 33.987 1.00 0.00 ATOM 558 CG TRP 74 24.185 20.295 33.540 1.00 0.00 ATOM 559 CD1 TRP 74 25.035 20.830 32.620 1.00 0.00 ATOM 560 CD2 TRP 74 24.795 19.080 33.994 1.00 0.00 ATOM 561 CE2 TRP 74 26.014 18.945 33.306 1.00 0.00 ATOM 562 CE3 TRP 74 24.428 18.095 34.918 1.00 0.00 ATOM 563 NE1 TRP 74 26.138 20.026 32.470 1.00 0.00 ATOM 564 CZ2 TRP 74 26.865 17.869 33.506 1.00 0.00 ATOM 565 CZ3 TRP 74 25.282 17.017 35.120 1.00 0.00 ATOM 566 CH2 TRP 74 26.465 16.908 34.435 1.00 0.00 ATOM 567 O TRP 74 22.808 22.737 36.802 1.00 0.00 ATOM 568 C TRP 74 22.107 22.040 36.071 1.00 0.00 ATOM 569 N SER 75 20.817 22.292 35.832 1.00 0.00 ATOM 570 CA SER 75 20.140 23.473 36.394 1.00 0.00 ATOM 571 CB SER 75 18.745 23.601 35.813 1.00 0.00 ATOM 572 OG SER 75 17.853 22.680 36.378 1.00 0.00 ATOM 573 O SER 75 20.293 24.441 38.565 1.00 0.00 ATOM 574 C SER 75 20.070 23.412 37.924 1.00 0.00 ATOM 575 N LEU 76 19.948 22.211 38.482 1.00 0.00 ATOM 576 CA LEU 76 19.878 21.980 39.932 1.00 0.00 ATOM 577 CB LEU 76 19.441 20.538 40.218 1.00 0.00 ATOM 578 CG LEU 76 19.319 20.175 41.704 1.00 0.00 ATOM 579 CD1 LEU 76 18.277 21.060 42.374 1.00 0.00 ATOM 580 CD2 LEU 76 18.947 18.707 41.840 1.00 0.00 ATOM 581 O LEU 76 21.261 22.965 41.643 1.00 0.00 ATOM 582 C LEU 76 21.189 22.256 40.642 1.00 0.00 ATOM 583 N ALA 77 22.238 21.775 40.021 1.00 0.00 ATOM 584 CA ALA 77 23.569 21.962 40.560 1.00 0.00 ATOM 585 CB ALA 77 24.336 20.971 39.739 1.00 0.00 ATOM 586 O ALA 77 24.523 23.979 41.442 1.00 0.00 ATOM 587 C ALA 77 24.022 23.431 40.452 1.00 0.00 ATOM 588 N GLU 78 23.722 24.073 39.323 1.00 0.00 ATOM 589 CA GLU 78 23.975 25.512 39.144 1.00 0.00 ATOM 590 CB GLU 78 23.635 25.943 37.716 1.00 0.00 ATOM 591 CG GLU 78 24.611 25.443 36.660 1.00 0.00 ATOM 592 CD GLU 78 26.006 25.932 36.930 1.00 0.00 ATOM 593 OE1 GLU 78 26.179 27.116 37.092 1.00 0.00 ATOM 594 OE2 GLU 78 26.881 25.113 37.084 1.00 0.00 ATOM 595 O GLU 78 23.680 27.211 40.836 1.00 0.00 ATOM 596 C GLU 78 23.167 26.333 40.155 1.00 0.00 ATOM 597 N ALA 79 21.907 25.935 40.316 1.00 0.00 ATOM 598 CA ALA 79 21.009 26.596 41.267 1.00 0.00 ATOM 599 CB ALA 79 19.637 25.969 41.217 1.00 0.00 ATOM 600 O ALA 79 21.881 27.472 43.257 1.00 0.00 ATOM 601 C ALA 79 21.489 26.473 42.697 1.00 0.00 ATOM 602 N GLU 80 21.757 25.242 43.125 1.00 0.00 ATOM 603 CA GLU 80 22.227 24.990 44.494 1.00 0.00 ATOM 604 CB GLU 80 22.502 23.498 44.701 1.00 0.00 ATOM 605 CG GLU 80 21.252 22.632 44.759 1.00 0.00 ATOM 606 CD GLU 80 21.603 21.173 44.859 1.00 0.00 ATOM 607 OE1 GLU 80 22.768 20.857 44.808 1.00 0.00 ATOM 608 OE2 GLU 80 20.720 20.385 45.102 1.00 0.00 ATOM 609 O GLU 80 23.610 26.346 45.865 1.00 0.00 ATOM 610 C GLU 80 23.489 25.817 44.785 1.00 0.00 ATOM 611 N LYS 81 24.388 25.926 43.814 1.00 0.00 ATOM 612 CA LYS 81 25.570 26.804 43.955 1.00 0.00 ATOM 613 CB LYS 81 26.490 26.661 42.741 1.00 0.00 ATOM 614 CG LYS 81 27.219 25.326 42.658 1.00 0.00 ATOM 615 CD LYS 81 28.115 25.259 41.430 1.00 0.00 ATOM 616 CE LYS 81 28.823 23.917 41.332 1.00 0.00 ATOM 617 NZ LYS 81 29.678 23.826 40.118 1.00 0.00 ATOM 618 O LYS 81 25.925 29.022 44.837 1.00 0.00 ATOM 619 C LYS 81 25.223 28.294 44.137 1.00 0.00 ATOM 620 N THR 82 24.224 28.747 43.408 1.00 0.00 ATOM 621 CA THR 82 23.807 30.158 43.399 1.00 0.00 ATOM 622 CB THR 82 23.987 30.759 42.000 1.00 0.00 ATOM 623 CG2 THR 82 25.478 30.936 41.669 1.00 0.00 ATOM 624 OG1 THR 82 23.265 29.992 41.020 1.00 0.00 ATOM 625 O THR 82 22.189 30.819 45.051 1.00 0.00 ATOM 626 C THR 82 22.378 30.340 43.930 1.00 0.00 ATOM 627 N VAL 83 21.417 30.153 43.051 1.00 0.00 ATOM 628 CA VAL 83 19.987 30.306 43.372 1.00 0.00 ATOM 629 CB VAL 83 19.157 30.499 42.082 1.00 0.00 ATOM 630 CG1 VAL 83 19.749 31.659 41.293 1.00 0.00 ATOM 631 CG2 VAL 83 19.064 29.290 41.161 1.00 0.00 ATOM 632 O VAL 83 19.683 28.065 44.199 1.00 0.00 ATOM 633 C VAL 83 19.415 29.256 44.331 1.00 0.00 ATOM 634 N ASP 84 18.407 29.637 45.102 1.00 0.00 ATOM 635 CA ASP 84 17.715 28.677 45.991 1.00 0.00 ATOM 636 CB ASP 84 16.638 29.389 46.813 1.00 0.00 ATOM 637 CG ASP 84 17.179 30.272 47.929 1.00 0.00 ATOM 638 OD1 ASP 84 18.360 30.220 48.182 1.00 0.00 ATOM 639 OD2 ASP 84 16.447 31.102 48.411 1.00 0.00 ATOM 640 O ASP 84 16.672 27.772 44.030 1.00 0.00 ATOM 641 C ASP 84 17.102 27.540 45.160 1.00 0.00 ATOM 642 N VAL 85 16.820 26.429 45.849 1.00 0.00 ATOM 643 CA VAL 85 16.128 25.292 45.198 1.00 0.00 ATOM 644 CB VAL 85 15.953 24.107 46.167 1.00 0.00 ATOM 645 CG1 VAL 85 15.069 23.036 45.545 1.00 0.00 ATOM 646 CG2 VAL 85 17.306 23.526 46.547 1.00 0.00 ATOM 647 O VAL 85 14.377 25.407 43.539 1.00 0.00 ATOM 648 C VAL 85 14.758 25.715 44.669 1.00 0.00 ATOM 649 N SER 86 14.010 26.406 45.530 1.00 0.00 ATOM 650 CA SER 86 12.651 26.849 45.171 1.00 0.00 ATOM 651 CB SER 86 12.053 27.589 46.353 1.00 0.00 ATOM 652 OG SER 86 11.912 26.678 47.452 1.00 0.00 ATOM 653 O SER 86 11.841 27.633 43.033 1.00 0.00 ATOM 654 C SER 86 12.652 27.770 43.952 1.00 0.00 ATOM 655 N ARG 87 13.634 28.678 43.913 1.00 0.00 ATOM 656 CA ARG 87 13.775 29.609 42.784 1.00 0.00 ATOM 657 CB ARG 87 14.842 30.664 43.040 1.00 0.00 ATOM 658 CG ARG 87 14.473 31.705 44.085 1.00 0.00 ATOM 659 CD ARG 87 15.546 32.694 44.369 1.00 0.00 ATOM 660 NE ARG 87 15.208 33.671 45.391 1.00 0.00 ATOM 661 CZ ARG 87 16.049 34.617 45.851 1.00 0.00 ATOM 662 NH1 ARG 87 17.287 34.695 45.415 1.00 0.00 ATOM 663 NH2 ARG 87 15.605 35.452 46.775 1.00 0.00 ATOM 664 O ARG 87 13.433 29.192 40.454 1.00 0.00 ATOM 665 C ARG 87 14.033 28.870 41.473 1.00 0.00 ATOM 666 N LEU 88 14.921 27.888 41.541 1.00 0.00 ATOM 667 CA LEU 88 15.229 27.069 40.370 1.00 0.00 ATOM 668 CB LEU 88 16.307 26.046 40.689 1.00 0.00 ATOM 669 CG LEU 88 16.645 25.277 39.418 1.00 0.00 ATOM 670 CD1 LEU 88 17.466 26.096 38.408 1.00 0.00 ATOM 671 CD2 LEU 88 17.312 23.985 39.816 1.00 0.00 ATOM 672 O LEU 88 13.826 26.204 38.650 1.00 0.00 ATOM 673 C LEU 88 13.997 26.322 39.860 1.00 0.00 ATOM 674 N ARG 89 13.127 25.913 40.780 1.00 0.00 ATOM 675 CA ARG 89 11.855 25.276 40.380 1.00 0.00 ATOM 676 CB ARG 89 11.108 24.690 41.569 1.00 0.00 ATOM 677 CG ARG 89 11.744 23.449 42.175 1.00 0.00 ATOM 678 CD ARG 89 11.044 22.927 43.377 1.00 0.00 ATOM 679 NE ARG 89 11.662 21.753 43.972 1.00 0.00 ATOM 680 CZ ARG 89 11.240 21.159 45.106 1.00 0.00 ATOM 681 NH1 ARG 89 10.227 21.643 45.789 1.00 0.00 ATOM 682 NH2 ARG 89 11.888 20.086 45.526 1.00 0.00 ATOM 683 O ARG 89 10.586 25.930 38.471 1.00 0.00 ATOM 684 C ARG 89 10.977 26.238 39.592 1.00 0.00 ATOM 685 N ARG 90 10.950 27.488 40.043 1.00 0.00 ATOM 686 CA ARG 90 10.221 28.540 39.324 1.00 0.00 ATOM 687 CB ARG 90 10.027 29.787 40.175 1.00 0.00 ATOM 688 CG ARG 90 9.035 29.634 41.316 1.00 0.00 ATOM 689 CD ARG 90 8.911 30.835 42.184 1.00 0.00 ATOM 690 NE ARG 90 7.968 30.689 43.281 1.00 0.00 ATOM 691 CZ ARG 90 7.759 31.615 44.237 1.00 0.00 ATOM 692 NH1 ARG 90 8.448 32.734 44.258 1.00 0.00 ATOM 693 NH2 ARG 90 6.859 31.357 45.170 1.00 0.00 ATOM 694 O ARG 90 10.221 29.023 36.965 1.00 0.00 ATOM 695 C ARG 90 10.891 28.880 37.985 1.00 0.00 ATOM 696 N LEU 91 12.222 28.898 37.964 1.00 0.00 ATOM 697 CA LEU 91 13.001 29.147 36.744 1.00 0.00 ATOM 698 CB LEU 91 14.486 29.320 37.089 1.00 0.00 ATOM 699 CG LEU 91 14.834 30.603 37.853 1.00 0.00 ATOM 700 CD1 LEU 91 16.289 30.569 38.298 1.00 0.00 ATOM 701 CD2 LEU 91 14.569 31.811 36.967 1.00 0.00 ATOM 702 O LEU 91 12.539 28.291 34.543 1.00 0.00 ATOM 703 C LEU 91 12.829 28.019 35.713 1.00 0.00 ATOM 704 N VAL 92 12.906 26.768 36.161 1.00 0.00 ATOM 705 CA VAL 92 12.683 25.590 35.300 1.00 0.00 ATOM 706 CB VAL 92 12.936 24.276 36.063 1.00 0.00 ATOM 707 CG1 VAL 92 12.394 23.091 35.278 1.00 0.00 ATOM 708 CG2 VAL 92 14.422 24.097 36.337 1.00 0.00 ATOM 709 O VAL 92 11.062 25.255 33.580 1.00 0.00 ATOM 710 C VAL 92 11.253 25.583 34.741 1.00 0.00 ATOM 711 N THR 93 10.294 25.974 35.572 1.00 0.00 ATOM 712 CA THR 93 8.874 26.038 35.172 1.00 0.00 ATOM 713 CB THR 93 7.964 26.362 36.371 1.00 0.00 ATOM 714 CG2 THR 93 6.515 26.476 35.925 1.00 0.00 ATOM 715 OG1 THR 93 8.078 25.325 37.355 1.00 0.00 ATOM 716 O THR 93 7.945 26.832 33.104 1.00 0.00 ATOM 717 C THR 93 8.646 27.079 34.084 1.00 0.00 ATOM 718 N GLN 94 9.228 28.258 34.265 1.00 0.00 ATOM 719 CA GLN 94 9.110 29.329 33.256 1.00 0.00 ATOM 720 CB GLN 94 9.796 30.606 33.748 1.00 0.00 ATOM 721 CG GLN 94 9.074 31.302 34.889 1.00 0.00 ATOM 722 CD GLN 94 9.847 32.492 35.423 1.00 0.00 ATOM 723 OE1 GLN 94 10.976 32.757 35.003 1.00 0.00 ATOM 724 NE2 GLN 94 9.244 33.217 36.359 1.00 0.00 ATOM 725 O GLN 94 9.108 29.092 30.866 1.00 0.00 ATOM 726 C GLN 94 9.718 28.890 31.925 1.00 0.00 ATOM 727 N SER 95 10.867 28.247 32.024 1.00 0.00 ATOM 728 CA SER 95 11.535 27.637 30.853 1.00 0.00 ATOM 729 CB SER 95 12.965 27.194 31.132 1.00 0.00 ATOM 730 OG SER 95 13.113 26.122 32.060 1.00 0.00 ATOM 731 O SER 95 11.151 25.920 29.241 1.00 0.00 ATOM 732 C SER 95 10.793 26.429 30.282 1.00 0.00 ATOM 733 N THR 96 9.842 25.870 31.022 1.00 0.00 ATOM 734 CA THR 96 9.019 24.753 30.531 1.00 0.00 ATOM 735 CB THR 96 8.100 24.200 31.636 1.00 0.00 ATOM 736 CG2 THR 96 7.272 23.037 31.109 1.00 0.00 ATOM 737 OG1 THR 96 8.892 23.754 32.743 1.00 0.00 ATOM 738 O THR 96 7.652 26.347 29.403 1.00 0.00 ATOM 739 C THR 96 8.180 25.226 29.332 1.00 0.00 ATOM 740 N PRO 97 8.148 24.457 28.231 1.00 0.00 ATOM 741 CA PRO 97 7.298 24.770 27.072 1.00 0.00 ATOM 742 CB PRO 97 7.485 23.561 26.140 1.00 0.00 ATOM 743 CG PRO 97 8.894 23.097 26.459 1.00 0.00 ATOM 744 CD PRO 97 8.955 23.246 27.969 1.00 0.00 ATOM 745 O PRO 97 5.528 24.752 28.703 1.00 0.00 ATOM 746 C PRO 97 5.828 24.902 27.503 1.00 0.00 TER END