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 3 Wed Jul 5 12:09:08 2006 MODEL 3 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 12.672 27.207 21.994 1.00 0.00 ATOM 2 CA MET 1 12.513 26.324 23.183 1.00 0.00 ATOM 3 CB MET 1 13.223 24.997 22.921 1.00 0.00 ATOM 4 CG MET 1 12.674 23.852 23.782 1.00 0.00 ATOM 5 SD MET 1 13.796 22.404 23.939 1.00 0.00 ATOM 6 CE MET 1 12.931 21.445 25.274 1.00 0.00 ATOM 7 O MET 1 14.273 27.505 24.302 1.00 0.00 ATOM 8 C MET 1 13.177 26.951 24.404 1.00 0.00 ATOM 9 N LYS 2 12.494 26.959 25.518 1.00 0.00 ATOM 10 CA LYS 2 13.054 27.538 26.736 1.00 0.00 ATOM 11 CB LYS 2 12.094 27.412 27.917 1.00 0.00 ATOM 12 CG LYS 2 10.805 28.221 27.823 1.00 0.00 ATOM 13 CD LYS 2 11.023 29.694 27.626 1.00 0.00 ATOM 14 CE LYS 2 11.668 30.369 28.823 1.00 0.00 ATOM 15 NZ LYS 2 11.958 31.816 28.548 1.00 0.00 ATOM 16 O LYS 2 15.333 27.502 27.503 1.00 0.00 ATOM 17 C LYS 2 14.358 26.845 27.134 1.00 0.00 ATOM 18 N MET 3 14.350 25.547 27.044 1.00 0.00 ATOM 19 CA MET 3 15.540 24.773 27.386 1.00 0.00 ATOM 20 CB MET 3 15.332 23.287 27.385 1.00 0.00 ATOM 21 CG MET 3 14.404 22.812 28.485 1.00 0.00 ATOM 22 SD MET 3 14.010 21.055 28.381 1.00 0.00 ATOM 23 CE MET 3 12.561 21.027 29.342 1.00 0.00 ATOM 24 O MET 3 17.793 25.242 26.786 1.00 0.00 ATOM 25 C MET 3 16.645 25.114 26.397 1.00 0.00 ATOM 26 N ALA 4 16.317 25.264 25.127 1.00 0.00 ATOM 27 CA ALA 4 17.283 25.685 24.120 1.00 0.00 ATOM 28 CB ALA 4 16.675 25.885 22.782 1.00 0.00 ATOM 29 O ALA 4 19.090 27.286 24.254 1.00 0.00 ATOM 30 C ALA 4 17.879 27.056 24.461 1.00 0.00 ATOM 31 N ASN 5 17.056 27.980 24.945 1.00 0.00 ATOM 32 CA ASN 5 17.542 29.307 25.303 1.00 0.00 ATOM 33 CB ASN 5 16.430 30.222 25.803 1.00 0.00 ATOM 34 CG ASN 5 15.529 30.765 24.694 1.00 0.00 ATOM 35 ND2 ASN 5 14.362 31.181 25.052 1.00 0.00 ATOM 36 OD1 ASN 5 15.886 30.873 23.559 1.00 0.00 ATOM 37 O ASN 5 19.704 29.641 26.292 1.00 0.00 ATOM 38 C ASN 5 18.609 29.118 26.388 1.00 0.00 ATOM 39 N HIS 6 18.242 28.354 27.493 1.00 0.00 ATOM 40 CA HIS 6 19.184 28.147 28.556 1.00 0.00 ATOM 41 CB HIS 6 18.480 27.567 29.796 1.00 0.00 ATOM 42 CG HIS 6 19.294 27.605 31.052 1.00 0.00 ATOM 43 CD2 HIS 6 19.213 28.407 32.143 1.00 0.00 ATOM 44 ND1 HIS 6 20.359 26.761 31.279 1.00 0.00 ATOM 45 CE1 HIS 6 20.898 27.040 32.452 1.00 0.00 ATOM 46 NE2 HIS 6 20.223 28.037 32.996 1.00 0.00 ATOM 47 O HIS 6 20.021 26.221 27.363 1.00 0.00 ATOM 48 C HIS 6 20.294 27.225 27.992 1.00 0.00 ATOM 49 N PRO 7 21.548 27.526 28.300 1.00 0.00 ATOM 50 CA PRO 7 22.626 26.700 27.751 1.00 0.00 ATOM 51 CB PRO 7 23.850 27.565 27.945 1.00 0.00 ATOM 52 CG PRO 7 23.517 28.329 29.205 1.00 0.00 ATOM 53 CD PRO 7 22.068 28.660 29.058 1.00 0.00 ATOM 54 O PRO 7 23.593 24.562 27.813 1.00 0.00 ATOM 55 C PRO 7 22.815 25.333 28.322 1.00 0.00 ATOM 56 N ARG 8 22.095 25.010 29.386 1.00 0.00 ATOM 57 CA ARG 8 22.227 23.660 29.953 1.00 0.00 ATOM 58 CB ARG 8 21.218 23.498 31.111 1.00 0.00 ATOM 59 CG ARG 8 19.780 23.681 30.709 1.00 0.00 ATOM 60 CD ARG 8 18.854 23.865 31.969 1.00 0.00 ATOM 61 NE ARG 8 17.593 24.408 31.493 1.00 0.00 ATOM 62 CZ ARG 8 16.833 25.235 32.196 1.00 0.00 ATOM 63 NH1 ARG 8 17.211 25.609 33.417 1.00 0.00 ATOM 64 NH2 ARG 8 15.715 25.708 31.658 1.00 0.00 ATOM 65 O ARG 8 22.786 21.526 29.050 1.00 0.00 ATOM 66 C ARG 8 22.063 22.513 28.940 1.00 0.00 ATOM 67 N PRO 9 21.131 22.584 27.995 1.00 0.00 ATOM 68 CA PRO 9 21.001 21.481 27.037 1.00 0.00 ATOM 69 CB PRO 9 19.830 21.908 26.162 1.00 0.00 ATOM 70 CG PRO 9 19.024 22.811 26.952 1.00 0.00 ATOM 71 CD PRO 9 20.041 23.571 27.832 1.00 0.00 ATOM 72 O PRO 9 22.574 19.993 25.978 1.00 0.00 ATOM 73 C PRO 9 22.287 21.155 26.275 1.00 0.00 ATOM 74 N GLY 10 23.093 22.240 25.934 1.00 0.00 ATOM 75 CA GLY 10 24.337 22.065 25.208 1.00 0.00 ATOM 76 O GLY 10 26.123 20.534 25.551 1.00 0.00 ATOM 77 C GLY 10 25.408 21.398 26.053 1.00 0.00 ATOM 78 N ASP 11 25.506 21.766 27.335 1.00 0.00 ATOM 79 CA ASP 11 26.458 21.115 28.244 1.00 0.00 ATOM 80 CB ASP 11 26.424 21.785 29.635 1.00 0.00 ATOM 81 CG ASP 11 27.181 23.092 29.682 1.00 0.00 ATOM 82 OD1 ASP 11 27.987 23.349 28.768 1.00 0.00 ATOM 83 OD2 ASP 11 26.954 23.886 30.622 1.00 0.00 ATOM 84 O ASP 11 27.003 18.776 28.238 1.00 0.00 ATOM 85 C ASP 11 26.120 19.628 28.337 1.00 0.00 ATOM 86 N ILE 12 24.864 19.347 28.503 1.00 0.00 ATOM 87 CA ILE 12 24.429 17.955 28.602 1.00 0.00 ATOM 88 CB ILE 12 22.970 17.859 29.069 1.00 0.00 ATOM 89 CG1 ILE 12 22.840 18.422 30.486 1.00 0.00 ATOM 90 CG2 ILE 12 22.548 16.410 29.132 1.00 0.00 ATOM 91 CD1 ILE 12 21.394 18.745 30.902 1.00 0.00 ATOM 92 O ILE 12 25.055 16.094 27.252 1.00 0.00 ATOM 93 C ILE 12 24.626 17.234 27.272 1.00 0.00 ATOM 94 N ILE 13 24.302 17.887 26.152 1.00 0.00 ATOM 95 CA ILE 13 24.447 17.238 24.845 1.00 0.00 ATOM 96 CB ILE 13 23.889 18.054 23.751 1.00 0.00 ATOM 97 CG1 ILE 13 22.372 18.131 23.854 1.00 0.00 ATOM 98 CG2 ILE 13 24.240 17.431 22.438 1.00 0.00 ATOM 99 CD1 ILE 13 21.837 19.287 23.072 1.00 0.00 ATOM 100 O ILE 13 26.257 15.834 24.115 1.00 0.00 ATOM 101 C ILE 13 25.920 16.931 24.566 1.00 0.00 ATOM 102 N GLN 14 26.777 17.894 24.843 1.00 0.00 ATOM 103 CA GLN 14 28.210 17.698 24.627 1.00 0.00 ATOM 104 CB GLN 14 28.931 18.888 25.580 1.00 0.00 ATOM 105 CG GLN 14 30.190 19.591 25.112 1.00 0.00 ATOM 106 CD GLN 14 30.901 20.326 26.229 1.00 0.00 ATOM 107 OE1 GLN 14 30.278 21.044 27.013 1.00 0.00 ATOM 108 NE2 GLN 14 32.215 20.158 26.302 1.00 0.00 ATOM 109 O GLN 14 29.526 15.715 24.964 1.00 0.00 ATOM 110 C GLN 14 28.736 16.525 25.447 1.00 0.00 ATOM 111 N GLU 15 28.298 16.427 26.720 1.00 0.00 ATOM 112 CA GLU 15 28.722 15.365 27.621 1.00 0.00 ATOM 113 CB GLU 15 28.122 15.569 29.015 1.00 0.00 ATOM 114 CG GLU 15 28.544 14.524 30.033 1.00 0.00 ATOM 115 CD GLU 15 27.959 14.778 31.408 1.00 0.00 ATOM 116 OE1 GLU 15 27.233 15.782 31.568 1.00 0.00 ATOM 117 OE2 GLU 15 28.227 13.975 32.326 1.00 0.00 ATOM 118 O GLU 15 29.066 13.077 27.003 1.00 0.00 ATOM 119 C GLU 15 28.266 14.007 27.094 1.00 0.00 ATOM 120 N SER 16 26.991 13.897 26.731 1.00 0.00 ATOM 121 CA SER 16 26.463 12.641 26.246 1.00 0.00 ATOM 122 CB SER 16 24.949 12.737 26.047 1.00 0.00 ATOM 123 OG SER 16 24.282 12.914 27.285 1.00 0.00 ATOM 124 O SER 16 27.453 11.084 24.716 1.00 0.00 ATOM 125 C SER 16 27.090 12.241 24.916 1.00 0.00 ATOM 126 N LEU 17 27.226 13.195 23.995 1.00 0.00 ATOM 127 CA LEU 17 27.818 12.915 22.692 1.00 0.00 ATOM 128 CB LEU 17 27.837 14.018 21.742 1.00 0.00 ATOM 129 CG LEU 17 26.438 14.293 21.250 1.00 0.00 ATOM 130 CD1 LEU 17 26.412 15.708 20.664 1.00 0.00 ATOM 131 CD2 LEU 17 25.988 13.197 20.283 1.00 0.00 ATOM 132 O LEU 17 29.659 11.436 22.261 1.00 0.00 ATOM 133 C LEU 17 29.249 12.435 22.863 1.00 0.00 ATOM 134 N ASP 18 30.041 13.144 23.686 1.00 0.00 ATOM 135 CA ASP 18 31.449 12.778 23.873 1.00 0.00 ATOM 136 CB ASP 18 32.162 13.856 24.726 1.00 0.00 ATOM 137 CG ASP 18 32.663 15.042 23.908 1.00 0.00 ATOM 138 OD1 ASP 18 32.439 15.104 22.682 1.00 0.00 ATOM 139 OD2 ASP 18 33.302 15.919 24.515 1.00 0.00 ATOM 140 O ASP 18 32.451 10.600 24.141 1.00 0.00 ATOM 141 C ASP 18 31.574 11.395 24.531 1.00 0.00 ATOM 142 N GLU 19 30.701 11.136 25.511 1.00 0.00 ATOM 143 CA GLU 19 30.679 9.827 26.229 1.00 0.00 ATOM 144 CB GLU 19 29.665 9.831 27.324 1.00 0.00 ATOM 145 CG GLU 19 29.999 10.833 28.431 1.00 0.00 ATOM 146 CD GLU 19 31.290 10.598 29.175 1.00 0.00 ATOM 147 OE1 GLU 19 31.764 9.457 29.268 1.00 0.00 ATOM 148 OE2 GLU 19 31.840 11.579 29.727 1.00 0.00 ATOM 149 O GLU 19 30.884 7.576 25.420 1.00 0.00 ATOM 150 C GLU 19 30.384 8.691 25.255 1.00 0.00 ATOM 151 N LEU 20 29.581 9.004 24.231 1.00 0.00 ATOM 152 CA LEU 20 29.216 8.010 23.225 1.00 0.00 ATOM 153 CB LEU 20 27.856 8.361 22.614 1.00 0.00 ATOM 154 CG LEU 20 26.657 8.324 23.565 1.00 0.00 ATOM 155 CD1 LEU 20 25.397 8.792 22.855 1.00 0.00 ATOM 156 CD2 LEU 20 26.418 6.909 24.071 1.00 0.00 ATOM 157 O LEU 20 30.098 7.072 21.192 1.00 0.00 ATOM 158 C LEU 20 30.233 7.887 22.124 1.00 0.00 ATOM 159 N ASN 21 31.260 8.730 22.121 1.00 0.00 ATOM 160 CA ASN 21 32.309 8.747 21.124 1.00 0.00 ATOM 161 CB ASN 21 33.015 7.412 21.024 1.00 0.00 ATOM 162 CG ASN 21 33.546 6.983 22.384 1.00 0.00 ATOM 163 ND2 ASN 21 33.078 5.833 22.867 1.00 0.00 ATOM 164 OD1 ASN 21 34.325 7.702 23.017 1.00 0.00 ATOM 165 O ASN 21 32.139 8.608 18.711 1.00 0.00 ATOM 166 C ASN 21 31.784 9.166 19.742 1.00 0.00 ATOM 167 N VAL 22 30.956 10.173 19.736 1.00 0.00 ATOM 168 CA VAL 22 30.428 10.718 18.475 1.00 0.00 ATOM 169 CB VAL 22 28.890 10.775 18.530 1.00 0.00 ATOM 170 CG1 VAL 22 28.335 11.389 17.254 1.00 0.00 ATOM 171 CG2 VAL 22 28.311 9.376 18.682 1.00 0.00 ATOM 172 O VAL 22 30.869 12.964 19.283 1.00 0.00 ATOM 173 C VAL 22 30.926 12.150 18.331 1.00 0.00 ATOM 174 N SER 23 31.476 12.451 17.164 1.00 0.00 ATOM 175 CA SER 23 31.889 13.814 16.837 1.00 0.00 ATOM 176 CB SER 23 32.829 13.874 15.632 1.00 0.00 ATOM 177 OG SER 23 32.161 13.499 14.443 1.00 0.00 ATOM 178 O SER 23 29.593 14.181 16.321 1.00 0.00 ATOM 179 C SER 23 30.684 14.685 16.549 1.00 0.00 ATOM 180 N LEU 24 30.889 16.020 16.546 1.00 0.00 ATOM 181 CA LEU 24 29.806 16.919 16.188 1.00 0.00 ATOM 182 CB LEU 24 30.284 18.377 16.396 1.00 0.00 ATOM 183 CG LEU 24 30.633 18.738 17.838 1.00 0.00 ATOM 184 CD1 LEU 24 30.856 20.248 17.889 1.00 0.00 ATOM 185 CD2 LEU 24 29.523 18.310 18.803 1.00 0.00 ATOM 186 O LEU 24 28.135 16.777 14.438 1.00 0.00 ATOM 187 C LEU 24 29.338 16.720 14.732 1.00 0.00 ATOM 188 N ARG 25 30.301 16.435 13.875 1.00 0.00 ATOM 189 CA ARG 25 30.016 16.184 12.450 1.00 0.00 ATOM 190 CB ARG 25 31.309 16.090 11.629 1.00 0.00 ATOM 191 CG ARG 25 32.050 17.412 11.507 1.00 0.00 ATOM 192 CD ARG 25 33.396 17.246 10.909 1.00 0.00 ATOM 193 NE ARG 25 34.138 18.487 10.759 1.00 0.00 ATOM 194 CZ ARG 25 35.444 18.533 10.478 1.00 0.00 ATOM 195 NH1 ARG 25 36.124 17.421 10.264 1.00 0.00 ATOM 196 NH2 ARG 25 36.065 19.698 10.391 1.00 0.00 ATOM 197 O ARG 25 28.221 14.894 11.579 1.00 0.00 ATOM 198 C ARG 25 29.196 14.904 12.304 1.00 0.00 ATOM 199 N GLU 26 29.586 13.846 12.998 1.00 0.00 ATOM 200 CA GLU 26 28.890 12.572 12.957 1.00 0.00 ATOM 201 CB GLU 26 29.654 11.504 13.763 1.00 0.00 ATOM 202 CG GLU 26 30.958 11.081 13.113 1.00 0.00 ATOM 203 CD GLU 26 31.700 10.074 13.969 1.00 0.00 ATOM 204 OE1 GLU 26 32.327 10.488 14.963 1.00 0.00 ATOM 205 OE2 GLU 26 31.621 8.864 13.658 1.00 0.00 ATOM 206 O GLU 26 26.510 12.207 12.905 1.00 0.00 ATOM 207 C GLU 26 27.467 12.716 13.493 1.00 0.00 ATOM 208 N PHE 27 27.343 13.408 14.625 1.00 0.00 ATOM 209 CA PHE 27 26.037 13.610 15.246 1.00 0.00 ATOM 210 CB PHE 27 26.235 14.245 16.603 1.00 0.00 ATOM 211 CG PHE 27 25.030 14.554 17.413 1.00 0.00 ATOM 212 CD1 PHE 27 24.072 13.615 17.752 1.00 0.00 ATOM 213 CD2 PHE 27 24.882 15.855 17.952 1.00 0.00 ATOM 214 CE1 PHE 27 22.993 13.985 18.588 1.00 0.00 ATOM 215 CE2 PHE 27 23.845 16.207 18.758 1.00 0.00 ATOM 216 CZ PHE 27 22.902 15.251 19.097 1.00 0.00 ATOM 217 O PHE 27 23.965 14.087 14.124 1.00 0.00 ATOM 218 C PHE 27 25.145 14.404 14.292 1.00 0.00 ATOM 219 N ALA 28 25.714 15.435 13.677 1.00 0.00 ATOM 220 CA ALA 28 24.972 16.275 12.738 1.00 0.00 ATOM 221 CB ALA 28 25.862 17.430 12.252 1.00 0.00 ATOM 222 O ALA 28 23.320 15.616 11.125 1.00 0.00 ATOM 223 C ALA 28 24.456 15.447 11.566 1.00 0.00 ATOM 224 N ARG 29 25.309 14.555 11.064 1.00 0.00 ATOM 225 CA ARG 29 24.945 13.702 9.936 1.00 0.00 ATOM 226 CB ARG 29 26.071 12.816 9.439 1.00 0.00 ATOM 227 CG ARG 29 27.156 13.682 8.759 1.00 0.00 ATOM 228 CD ARG 29 28.386 12.934 8.237 1.00 0.00 ATOM 229 NE ARG 29 29.134 13.814 7.316 1.00 0.00 ATOM 230 CZ ARG 29 30.376 13.607 6.938 1.00 0.00 ATOM 231 NH1 ARG 29 31.014 12.571 7.389 1.00 0.00 ATOM 232 NH2 ARG 29 30.993 14.440 6.103 1.00 0.00 ATOM 233 O ARG 29 22.814 12.619 9.664 1.00 0.00 ATOM 234 C ARG 29 23.837 12.729 10.345 1.00 0.00 ATOM 235 N ALA 30 24.009 12.071 11.488 1.00 0.00 ATOM 236 CA ALA 30 23.022 11.094 11.962 1.00 0.00 ATOM 237 CB ALA 30 23.693 10.172 13.017 1.00 0.00 ATOM 238 O ALA 30 20.734 11.014 12.493 1.00 0.00 ATOM 239 C ALA 30 21.725 11.741 12.315 1.00 0.00 ATOM 240 N MET 31 21.641 13.124 12.467 1.00 0.00 ATOM 241 CA MET 31 20.403 13.811 12.843 1.00 0.00 ATOM 242 CB MET 31 20.930 14.641 14.297 1.00 0.00 ATOM 243 CG MET 31 20.769 16.116 13.949 1.00 0.00 ATOM 244 SD MET 31 20.900 17.192 15.405 1.00 0.00 ATOM 245 CE MET 31 22.679 17.439 15.473 1.00 0.00 ATOM 246 O MET 31 18.853 15.336 11.859 1.00 0.00 ATOM 247 C MET 31 19.873 14.681 11.700 1.00 0.00 ATOM 248 N GLU 32 20.573 14.722 10.568 1.00 0.00 ATOM 249 CA GLU 32 20.198 15.566 9.443 1.00 0.00 ATOM 250 CB GLU 32 18.997 14.791 8.572 1.00 0.00 ATOM 251 CG GLU 32 19.161 13.295 8.452 1.00 0.00 ATOM 252 CD GLU 32 17.869 12.552 8.260 1.00 0.00 ATOM 253 OE1 GLU 32 16.776 13.028 8.653 1.00 0.00 ATOM 254 OE2 GLU 32 17.961 11.427 7.746 1.00 0.00 ATOM 255 O GLU 32 19.285 17.793 9.434 1.00 0.00 ATOM 256 C GLU 32 20.196 17.049 9.795 1.00 0.00 ATOM 257 N ILE 33 21.232 17.497 10.442 1.00 0.00 ATOM 258 CA ILE 33 21.381 18.852 10.932 1.00 0.00 ATOM 259 CB ILE 33 21.186 18.848 12.457 1.00 0.00 ATOM 260 CG1 ILE 33 19.982 19.696 12.815 1.00 0.00 ATOM 261 CG2 ILE 33 22.457 19.254 13.210 1.00 0.00 ATOM 262 CD1 ILE 33 18.698 18.998 12.511 1.00 0.00 ATOM 263 O ILE 33 23.721 18.530 10.366 1.00 0.00 ATOM 264 C ILE 33 22.791 19.290 10.579 1.00 0.00 ATOM 265 N ALA 34 22.975 20.597 10.507 1.00 0.00 ATOM 266 CA ALA 34 24.283 21.211 10.216 1.00 0.00 ATOM 267 CB ALA 34 24.051 22.651 9.778 1.00 0.00 ATOM 268 O ALA 34 24.794 21.299 12.552 1.00 0.00 ATOM 269 C ALA 34 25.212 21.087 11.419 1.00 0.00 ATOM 270 N PRO 35 26.483 20.770 11.184 1.00 0.00 ATOM 271 CA PRO 35 27.459 20.760 12.282 1.00 0.00 ATOM 272 CB PRO 35 28.780 20.396 11.604 1.00 0.00 ATOM 273 CG PRO 35 28.377 19.595 10.411 1.00 0.00 ATOM 274 CD PRO 35 27.124 20.234 9.881 1.00 0.00 ATOM 275 O PRO 35 27.678 22.180 14.215 1.00 0.00 ATOM 276 C PRO 35 27.539 22.122 12.994 1.00 0.00 ATOM 277 N SER 36 27.441 23.221 12.206 1.00 0.00 ATOM 278 CA SER 36 27.504 24.543 12.832 1.00 0.00 ATOM 279 CB SER 36 27.433 25.654 11.831 1.00 0.00 ATOM 280 OG SER 36 26.215 25.631 11.106 1.00 0.00 ATOM 281 O SER 36 26.519 25.309 14.888 1.00 0.00 ATOM 282 C SER 36 26.344 24.705 13.829 1.00 0.00 ATOM 283 N THR 37 25.201 24.147 13.475 1.00 0.00 ATOM 284 CA THR 37 24.013 24.217 14.337 1.00 0.00 ATOM 285 CB THR 37 22.796 23.645 13.586 1.00 0.00 ATOM 286 CG2 THR 37 21.556 23.691 14.466 1.00 0.00 ATOM 287 OG1 THR 37 22.553 24.417 12.401 1.00 0.00 ATOM 288 O THR 37 23.782 23.890 16.688 1.00 0.00 ATOM 289 C THR 37 24.178 23.422 15.635 1.00 0.00 ATOM 290 N ALA 38 24.750 22.230 15.566 1.00 0.00 ATOM 291 CA ALA 38 25.025 21.442 16.758 1.00 0.00 ATOM 292 CB ALA 38 25.559 20.153 16.423 1.00 0.00 ATOM 293 O ALA 38 25.725 22.305 18.913 1.00 0.00 ATOM 294 C ALA 38 25.937 22.235 17.695 1.00 0.00 ATOM 295 N SER 39 26.963 22.844 17.096 1.00 0.00 ATOM 296 CA SER 39 27.885 23.644 17.875 1.00 0.00 ATOM 297 CB SER 39 28.999 24.200 16.983 1.00 0.00 ATOM 298 OG SER 39 29.832 23.160 16.497 1.00 0.00 ATOM 299 O SER 39 27.392 25.073 19.715 1.00 0.00 ATOM 300 C SER 39 27.142 24.803 18.536 1.00 0.00 ATOM 301 N ARG 40 26.315 25.523 17.778 1.00 0.00 ATOM 302 CA ARG 40 25.548 26.644 18.303 1.00 0.00 ATOM 303 CB ARG 40 24.330 26.822 17.099 1.00 0.00 ATOM 304 CG ARG 40 23.906 28.184 16.527 1.00 0.00 ATOM 305 CD ARG 40 24.763 28.598 15.325 1.00 0.00 ATOM 306 NE ARG 40 24.523 27.723 14.179 1.00 0.00 ATOM 307 CZ ARG 40 23.491 27.835 13.347 1.00 0.00 ATOM 308 NH1 ARG 40 22.593 28.797 13.511 1.00 0.00 ATOM 309 NH2 ARG 40 23.338 26.965 12.356 1.00 0.00 ATOM 310 O ARG 40 24.517 26.897 20.459 1.00 0.00 ATOM 311 C ARG 40 24.622 26.196 19.448 1.00 0.00 ATOM 312 N LEU 41 23.961 25.063 19.277 1.00 0.00 ATOM 313 CA LEU 41 23.091 24.516 20.325 1.00 0.00 ATOM 314 CB LEU 41 22.435 23.217 19.852 1.00 0.00 ATOM 315 CG LEU 41 21.381 23.352 18.749 1.00 0.00 ATOM 316 CD1 LEU 41 20.947 21.981 18.252 1.00 0.00 ATOM 317 CD2 LEU 41 20.151 24.079 19.269 1.00 0.00 ATOM 318 O LEU 41 23.485 24.577 22.692 1.00 0.00 ATOM 319 C LEU 41 23.905 24.255 21.588 1.00 0.00 ATOM 320 N LEU 42 25.083 23.707 21.415 1.00 0.00 ATOM 321 CA LEU 42 25.946 23.417 22.552 1.00 0.00 ATOM 322 CB LEU 42 27.235 22.729 22.103 1.00 0.00 ATOM 323 CG LEU 42 27.089 21.305 21.562 1.00 0.00 ATOM 324 CD1 LEU 42 28.412 20.804 21.001 1.00 0.00 ATOM 325 CD2 LEU 42 26.649 20.353 22.663 1.00 0.00 ATOM 326 O LEU 42 26.574 24.595 24.513 1.00 0.00 ATOM 327 C LEU 42 26.274 24.691 23.327 1.00 0.00 ATOM 328 N THR 43 26.286 25.874 22.635 1.00 0.00 ATOM 329 CA THR 43 26.644 27.152 23.268 1.00 0.00 ATOM 330 CB THR 43 27.432 28.072 22.316 1.00 0.00 ATOM 331 CG2 THR 43 28.752 27.425 21.923 1.00 0.00 ATOM 332 OG1 THR 43 26.661 28.313 21.132 1.00 0.00 ATOM 333 O THR 43 25.479 28.977 24.350 1.00 0.00 ATOM 334 C THR 43 25.398 27.887 23.747 1.00 0.00 ATOM 335 N GLY 44 24.223 27.382 23.438 1.00 0.00 ATOM 336 CA GLY 44 22.982 28.031 23.826 1.00 0.00 ATOM 337 O GLY 44 21.417 29.659 22.970 1.00 0.00 ATOM 338 C GLY 44 22.475 29.013 22.775 1.00 0.00 ATOM 339 N LYS 45 23.145 29.116 21.639 1.00 0.00 ATOM 340 CA LYS 45 22.772 30.169 20.662 1.00 0.00 ATOM 341 CB LYS 45 23.826 30.259 19.557 1.00 0.00 ATOM 342 CG LYS 45 25.180 30.761 20.029 1.00 0.00 ATOM 343 CD LYS 45 26.180 30.814 18.883 1.00 0.00 ATOM 344 CE LYS 45 27.526 31.342 19.351 1.00 0.00 ATOM 345 NZ LYS 45 28.508 31.418 18.235 1.00 0.00 ATOM 346 O LYS 45 20.843 30.895 19.458 1.00 0.00 ATOM 347 C LYS 45 21.427 29.945 19.979 1.00 0.00 ATOM 348 N ALA 46 20.924 28.722 19.963 1.00 0.00 ATOM 349 CA ALA 46 19.753 28.476 19.142 1.00 0.00 ATOM 350 CB ALA 46 20.015 27.346 18.214 1.00 0.00 ATOM 351 O ALA 46 18.540 27.523 20.925 1.00 0.00 ATOM 352 C ALA 46 18.476 28.180 19.887 1.00 0.00 ATOM 353 N ALA 47 17.388 28.722 19.358 1.00 0.00 ATOM 354 CA ALA 47 16.084 28.465 19.967 1.00 0.00 ATOM 355 CB ALA 47 15.047 29.358 19.301 1.00 0.00 ATOM 356 O ALA 47 14.507 26.718 19.428 1.00 0.00 ATOM 357 C ALA 47 15.618 27.004 19.878 1.00 0.00 ATOM 358 N LEU 48 16.597 26.022 20.148 1.00 0.00 ATOM 359 CA LEU 48 16.305 24.620 19.912 1.00 0.00 ATOM 360 CB LEU 48 17.268 23.732 20.702 1.00 0.00 ATOM 361 CG LEU 48 17.140 22.225 20.479 1.00 0.00 ATOM 362 CD1 LEU 48 17.529 21.855 19.055 1.00 0.00 ATOM 363 CD2 LEU 48 18.046 21.459 21.430 1.00 0.00 ATOM 364 O LEU 48 14.360 25.018 21.288 1.00 0.00 ATOM 365 C LEU 48 14.883 24.377 20.339 1.00 0.00 ATOM 366 N THR 49 14.257 23.526 19.550 1.00 0.00 ATOM 367 CA THR 49 12.859 23.225 19.695 1.00 0.00 ATOM 368 CB THR 49 12.010 23.834 18.564 1.00 0.00 ATOM 369 CG2 THR 49 12.232 25.337 18.481 1.00 0.00 ATOM 370 OG1 THR 49 12.380 23.243 17.312 1.00 0.00 ATOM 371 O THR 49 13.561 20.910 19.689 1.00 0.00 ATOM 372 C THR 49 12.633 21.712 19.718 1.00 0.00 ATOM 373 N PRO 50 11.370 21.361 19.914 1.00 0.00 ATOM 374 CA PRO 50 10.973 19.980 20.186 1.00 0.00 ATOM 375 CB PRO 50 9.462 20.037 20.113 1.00 0.00 ATOM 376 CG PRO 50 9.164 21.394 20.682 1.00 0.00 ATOM 377 CD PRO 50 10.224 22.293 20.053 1.00 0.00 ATOM 378 O PRO 50 12.050 17.914 19.560 1.00 0.00 ATOM 379 C PRO 50 11.541 18.978 19.185 1.00 0.00 ATOM 380 N GLU 51 11.388 19.247 17.911 1.00 0.00 ATOM 381 CA GLU 51 11.791 18.280 16.873 1.00 0.00 ATOM 382 CB GLU 51 11.450 18.815 15.481 1.00 0.00 ATOM 383 CG GLU 51 11.784 17.860 14.347 1.00 0.00 ATOM 384 CD GLU 51 11.402 18.411 12.989 1.00 0.00 ATOM 385 OE1 GLU 51 10.864 19.535 12.933 1.00 0.00 ATOM 386 OE2 GLU 51 11.642 17.717 11.977 1.00 0.00 ATOM 387 O GLU 51 13.708 16.840 16.823 1.00 0.00 ATOM 388 C GLU 51 13.290 17.996 16.907 1.00 0.00 ATOM 389 N MET 52 14.122 19.064 16.949 1.00 0.00 ATOM 390 CA MET 52 15.568 18.876 16.981 1.00 0.00 ATOM 391 CB MET 52 16.290 20.213 16.812 1.00 0.00 ATOM 392 CG MET 52 16.152 20.823 15.427 1.00 0.00 ATOM 393 SD MET 52 16.999 22.408 15.275 1.00 0.00 ATOM 394 CE MET 52 18.710 21.888 15.366 1.00 0.00 ATOM 395 O MET 52 16.962 17.392 18.259 1.00 0.00 ATOM 396 C MET 52 16.000 18.163 18.264 1.00 0.00 ATOM 397 N ALA 53 15.328 18.490 19.367 1.00 0.00 ATOM 398 CA ALA 53 15.652 17.870 20.649 1.00 0.00 ATOM 399 CB ALA 53 14.689 18.311 21.741 1.00 0.00 ATOM 400 O ALA 53 16.408 15.595 20.831 1.00 0.00 ATOM 401 C ALA 53 15.518 16.360 20.459 1.00 0.00 ATOM 402 N ILE 54 14.419 15.911 19.815 1.00 0.00 ATOM 403 CA ILE 54 14.185 14.497 19.575 1.00 0.00 ATOM 404 CB ILE 54 12.753 14.291 19.055 1.00 0.00 ATOM 405 CG1 ILE 54 11.769 14.464 20.226 1.00 0.00 ATOM 406 CG2 ILE 54 12.590 12.922 18.420 1.00 0.00 ATOM 407 CD1 ILE 54 10.321 14.518 19.781 1.00 0.00 ATOM 408 O ILE 54 15.621 12.759 18.748 1.00 0.00 ATOM 409 C ILE 54 15.186 13.899 18.577 1.00 0.00 ATOM 410 N LYS 55 15.463 14.602 17.484 1.00 0.00 ATOM 411 CA LYS 55 16.416 14.114 16.483 1.00 0.00 ATOM 412 CB LYS 55 16.610 15.116 15.344 1.00 0.00 ATOM 413 CG LYS 55 15.413 15.237 14.411 1.00 0.00 ATOM 414 CD LYS 55 15.675 16.245 13.306 1.00 0.00 ATOM 415 CE LYS 55 14.471 16.384 12.389 1.00 0.00 ATOM 416 NZ LYS 55 14.701 17.393 11.319 1.00 0.00 ATOM 417 O LYS 55 18.403 12.821 16.978 1.00 0.00 ATOM 418 C LYS 55 17.755 13.870 17.185 1.00 0.00 ATOM 419 N LEU 56 18.162 14.828 18.023 1.00 0.00 ATOM 420 CA LEU 56 19.436 14.712 18.709 1.00 0.00 ATOM 421 CB LEU 56 19.810 15.980 19.487 1.00 0.00 ATOM 422 CG LEU 56 19.800 17.277 18.728 1.00 0.00 ATOM 423 CD1 LEU 56 20.375 18.382 19.617 1.00 0.00 ATOM 424 CD2 LEU 56 20.401 17.241 17.406 1.00 0.00 ATOM 425 O LEU 56 20.362 12.738 19.760 1.00 0.00 ATOM 426 C LEU 56 19.431 13.538 19.692 1.00 0.00 ATOM 427 N SER 57 18.397 13.451 20.505 1.00 0.00 ATOM 428 CA SER 57 18.306 12.354 21.471 1.00 0.00 ATOM 429 CB SER 57 17.045 12.499 22.326 1.00 0.00 ATOM 430 OG SER 57 17.111 13.658 23.139 1.00 0.00 ATOM 431 O SER 57 18.937 10.052 21.214 1.00 0.00 ATOM 432 C SER 57 18.304 11.004 20.759 1.00 0.00 ATOM 433 N VAL 58 17.544 10.898 19.662 1.00 0.00 ATOM 434 CA VAL 58 17.501 9.659 18.893 1.00 0.00 ATOM 435 CB VAL 58 16.547 9.777 17.689 1.00 0.00 ATOM 436 CG1 VAL 58 16.663 8.551 16.795 1.00 0.00 ATOM 437 CG2 VAL 58 15.106 9.893 18.158 1.00 0.00 ATOM 438 O VAL 58 19.289 8.122 18.406 1.00 0.00 ATOM 439 C VAL 58 18.883 9.289 18.361 1.00 0.00 ATOM 440 N VAL 59 19.600 10.273 17.837 1.00 0.00 ATOM 441 CA VAL 59 20.938 10.053 17.300 1.00 0.00 ATOM 442 CB VAL 59 21.433 11.345 16.574 1.00 0.00 ATOM 443 CG1 VAL 59 22.853 11.187 16.062 1.00 0.00 ATOM 444 CG2 VAL 59 20.485 11.663 15.420 1.00 0.00 ATOM 445 O VAL 59 22.855 8.813 18.051 1.00 0.00 ATOM 446 C VAL 59 21.920 9.559 18.358 1.00 0.00 ATOM 447 N ILE 60 21.720 9.989 19.596 1.00 0.00 ATOM 448 CA ILE 60 22.576 9.576 20.720 1.00 0.00 ATOM 449 CB ILE 60 22.743 10.704 21.758 1.00 0.00 ATOM 450 CG1 ILE 60 21.394 11.043 22.395 1.00 0.00 ATOM 451 CG2 ILE 60 23.295 11.957 21.097 1.00 0.00 ATOM 452 CD1 ILE 60 21.497 11.984 23.572 1.00 0.00 ATOM 453 O ILE 60 22.747 7.730 22.246 1.00 0.00 ATOM 454 C ILE 60 22.074 8.293 21.371 1.00 0.00 ATOM 455 N GLY 61 20.914 7.785 20.917 1.00 0.00 ATOM 456 CA GLY 61 20.386 6.519 21.388 1.00 0.00 ATOM 457 O GLY 61 19.622 5.727 23.520 1.00 0.00 ATOM 458 C GLY 61 19.787 6.696 22.771 1.00 0.00 ATOM 459 N SER 62 19.307 7.893 23.131 1.00 0.00 ATOM 460 CA SER 62 18.771 8.162 24.449 1.00 0.00 ATOM 461 CB SER 62 19.687 9.144 25.166 1.00 0.00 ATOM 462 OG SER 62 20.887 8.448 25.430 1.00 0.00 ATOM 463 O SER 62 17.179 9.665 23.473 1.00 0.00 ATOM 464 C SER 62 17.396 8.794 24.318 1.00 0.00 ATOM 465 N SER 63 16.424 8.317 25.132 1.00 0.00 ATOM 466 CA SER 63 15.077 8.861 25.104 1.00 0.00 ATOM 467 CB SER 63 14.139 8.123 26.064 1.00 0.00 ATOM 468 OG SER 63 14.532 8.320 27.411 1.00 0.00 ATOM 469 O SER 63 15.858 10.695 26.421 1.00 0.00 ATOM 470 C SER 63 15.104 10.329 25.519 1.00 0.00 ATOM 471 N PRO 64 14.256 11.157 24.899 1.00 0.00 ATOM 472 CA PRO 64 14.161 12.564 25.309 1.00 0.00 ATOM 473 CB PRO 64 12.985 13.097 24.541 1.00 0.00 ATOM 474 CG PRO 64 13.078 12.342 23.254 1.00 0.00 ATOM 475 CD PRO 64 13.359 10.938 23.705 1.00 0.00 ATOM 476 O PRO 64 14.278 13.712 27.420 1.00 0.00 ATOM 477 C PRO 64 13.849 12.751 26.785 1.00 0.00 ATOM 478 N GLN 65 13.091 11.811 27.365 1.00 0.00 ATOM 479 CA GLN 65 12.747 11.851 28.778 1.00 0.00 ATOM 480 CB GLN 65 11.814 10.761 29.166 1.00 0.00 ATOM 481 CG GLN 65 10.493 10.883 28.423 1.00 0.00 ATOM 482 CD GLN 65 9.578 9.699 28.641 1.00 0.00 ATOM 483 OE1 GLN 65 10.014 8.550 28.603 1.00 0.00 ATOM 484 NE2 GLN 65 8.293 9.972 28.850 1.00 0.00 ATOM 485 O GLN 65 14.229 12.481 30.552 1.00 0.00 ATOM 486 C GLN 65 14.044 11.748 29.584 1.00 0.00 ATOM 487 N MET 66 14.930 10.820 29.229 1.00 0.00 ATOM 488 CA MET 66 16.202 10.662 29.954 1.00 0.00 ATOM 489 CB MET 66 16.874 9.323 29.477 1.00 0.00 ATOM 490 CG MET 66 16.192 8.063 30.004 1.00 0.00 ATOM 491 SD MET 66 17.172 6.555 29.754 1.00 0.00 ATOM 492 CE MET 66 16.967 6.307 27.991 1.00 0.00 ATOM 493 O MET 66 17.750 12.315 30.734 1.00 0.00 ATOM 494 C MET 66 17.101 11.878 29.778 1.00 0.00 ATOM 495 N TRP 67 17.027 12.495 28.610 1.00 0.00 ATOM 496 CA TRP 67 17.757 13.742 28.352 1.00 0.00 ATOM 497 CB TRP 67 17.549 14.112 26.906 1.00 0.00 ATOM 498 CG TRP 67 18.317 15.279 26.516 1.00 0.00 ATOM 499 CD1 TRP 67 19.599 15.573 26.878 1.00 0.00 ATOM 500 CD2 TRP 67 17.878 16.351 25.690 1.00 0.00 ATOM 501 CE2 TRP 67 18.946 17.267 25.588 1.00 0.00 ATOM 502 CE3 TRP 67 16.682 16.629 25.021 1.00 0.00 ATOM 503 NE1 TRP 67 19.987 16.763 26.321 1.00 0.00 ATOM 504 CZ2 TRP 67 18.854 18.445 24.845 1.00 0.00 ATOM 505 CZ3 TRP 67 16.589 17.800 24.287 1.00 0.00 ATOM 506 CH2 TRP 67 17.672 18.693 24.204 1.00 0.00 ATOM 507 O TRP 67 18.059 15.498 29.972 1.00 0.00 ATOM 508 C TRP 67 17.262 14.827 29.315 1.00 0.00 ATOM 509 N LEU 68 15.953 14.951 29.432 1.00 0.00 ATOM 510 CA LEU 68 15.377 15.954 30.320 1.00 0.00 ATOM 511 CB LEU 68 13.875 16.114 30.061 1.00 0.00 ATOM 512 CG LEU 68 13.469 16.470 28.629 1.00 0.00 ATOM 513 CD1 LEU 68 11.953 16.496 28.492 1.00 0.00 ATOM 514 CD2 LEU 68 14.004 17.841 28.245 1.00 0.00 ATOM 515 O LEU 68 15.713 16.548 32.631 1.00 0.00 ATOM 516 C LEU 68 15.646 15.637 31.794 1.00 0.00 ATOM 517 N ASN 69 15.598 14.357 32.162 1.00 0.00 ATOM 518 CA ASN 69 15.895 13.995 33.555 1.00 0.00 ATOM 519 CB ASN 69 15.818 12.497 33.793 1.00 0.00 ATOM 520 CG ASN 69 14.389 11.956 33.774 1.00 0.00 ATOM 521 ND2 ASN 69 13.407 12.838 33.727 1.00 0.00 ATOM 522 OD1 ASN 69 14.181 10.745 33.804 1.00 0.00 ATOM 523 O ASN 69 17.542 14.924 35.032 1.00 0.00 ATOM 524 C ASN 69 17.318 14.420 33.935 1.00 0.00 ATOM 525 N LEU 70 18.266 14.224 33.029 1.00 0.00 ATOM 526 CA LEU 70 19.636 14.678 33.281 1.00 0.00 ATOM 527 CB LEU 70 20.569 14.224 32.157 1.00 0.00 ATOM 528 CG LEU 70 20.862 12.725 32.084 1.00 0.00 ATOM 529 CD1 LEU 70 21.645 12.392 30.824 1.00 0.00 ATOM 530 CD2 LEU 70 21.680 12.278 33.285 1.00 0.00 ATOM 531 O LEU 70 20.320 16.754 34.275 1.00 0.00 ATOM 532 C LEU 70 19.665 16.199 33.394 1.00 0.00 ATOM 533 N GLN 71 18.978 16.894 32.480 1.00 0.00 ATOM 534 CA GLN 71 18.915 18.347 32.518 1.00 0.00 ATOM 535 CB GLN 71 18.083 18.879 31.343 1.00 0.00 ATOM 536 CG GLN 71 17.676 20.335 31.596 1.00 0.00 ATOM 537 CD GLN 71 17.080 21.021 30.385 1.00 0.00 ATOM 538 OE1 GLN 71 17.390 20.692 29.243 1.00 0.00 ATOM 539 NE2 GLN 71 16.216 22.001 30.617 1.00 0.00 ATOM 540 O GLN 71 18.695 19.737 34.472 1.00 0.00 ATOM 541 C GLN 71 18.246 18.787 33.816 1.00 0.00 ATOM 542 N ASN 72 17.192 18.093 34.187 1.00 0.00 ATOM 543 CA ASN 72 16.488 18.436 35.420 1.00 0.00 ATOM 544 CB ASN 72 15.181 17.632 35.471 1.00 0.00 ATOM 545 CG ASN 72 14.119 18.072 34.496 1.00 0.00 ATOM 546 ND2 ASN 72 13.210 17.194 34.223 1.00 0.00 ATOM 547 OD1 ASN 72 14.198 19.189 33.930 1.00 0.00 ATOM 548 O ASN 72 17.341 19.034 37.559 1.00 0.00 ATOM 549 C ASN 72 17.346 18.205 36.656 1.00 0.00 ATOM 550 N ALA 73 18.072 17.091 36.734 1.00 0.00 ATOM 551 CA ALA 73 18.926 16.778 37.858 1.00 0.00 ATOM 552 CB ALA 73 19.572 15.406 37.817 1.00 0.00 ATOM 553 O ALA 73 20.261 18.354 39.089 1.00 0.00 ATOM 554 C ALA 73 20.012 17.852 37.989 1.00 0.00 ATOM 555 N TRP 74 20.644 18.220 36.882 1.00 0.00 ATOM 556 CA TRP 74 21.666 19.268 36.865 1.00 0.00 ATOM 557 CB TRP 74 22.399 19.230 35.440 1.00 0.00 ATOM 558 CG TRP 74 23.630 20.105 35.423 1.00 0.00 ATOM 559 CD1 TRP 74 24.884 19.703 35.797 1.00 0.00 ATOM 560 CD2 TRP 74 23.689 21.518 35.065 1.00 0.00 ATOM 561 CE2 TRP 74 25.027 21.906 35.218 1.00 0.00 ATOM 562 CE3 TRP 74 22.763 22.484 34.612 1.00 0.00 ATOM 563 NE1 TRP 74 25.709 20.794 35.714 1.00 0.00 ATOM 564 CZ2 TRP 74 25.415 23.237 34.967 1.00 0.00 ATOM 565 CZ3 TRP 74 23.169 23.801 34.378 1.00 0.00 ATOM 566 CH2 TRP 74 24.498 24.175 34.532 1.00 0.00 ATOM 567 O TRP 74 21.797 21.383 37.907 1.00 0.00 ATOM 568 C TRP 74 21.104 20.641 37.238 1.00 0.00 ATOM 569 N SER 75 19.811 20.905 36.698 1.00 0.00 ATOM 570 CA SER 75 19.199 22.218 36.941 1.00 0.00 ATOM 571 CB SER 75 19.940 23.222 35.879 1.00 0.00 ATOM 572 OG SER 75 19.487 22.896 34.580 1.00 0.00 ATOM 573 O SER 75 17.252 23.493 36.449 1.00 0.00 ATOM 574 C SER 75 17.694 22.437 36.886 1.00 0.00 ATOM 575 N LEU 76 16.939 21.494 37.402 1.00 0.00 ATOM 576 CA LEU 76 15.489 21.518 37.354 1.00 0.00 ATOM 577 CB LEU 76 14.904 20.230 37.881 1.00 0.00 ATOM 578 CG LEU 76 13.398 20.268 38.048 1.00 0.00 ATOM 579 CD1 LEU 76 12.691 20.416 36.728 1.00 0.00 ATOM 580 CD2 LEU 76 12.907 19.045 38.778 1.00 0.00 ATOM 581 O LEU 76 13.887 23.244 37.780 1.00 0.00 ATOM 582 C LEU 76 14.832 22.585 38.229 1.00 0.00 ATOM 583 N ALA 77 15.290 22.727 39.470 1.00 0.00 ATOM 584 CA ALA 77 14.727 23.747 40.354 1.00 0.00 ATOM 585 CB ALA 77 15.404 23.721 41.688 1.00 0.00 ATOM 586 O ALA 77 13.910 25.913 39.663 1.00 0.00 ATOM 587 C ALA 77 14.871 25.162 39.741 1.00 0.00 ATOM 588 N GLU 78 16.069 25.520 39.309 1.00 0.00 ATOM 589 CA GLU 78 16.262 26.850 38.769 1.00 0.00 ATOM 590 CB GLU 78 17.759 27.182 38.534 1.00 0.00 ATOM 591 CG GLU 78 18.554 27.210 39.850 1.00 0.00 ATOM 592 CD GLU 78 19.941 27.756 39.686 1.00 0.00 ATOM 593 OE1 GLU 78 20.377 28.056 38.557 1.00 0.00 ATOM 594 OE2 GLU 78 20.626 27.912 40.741 1.00 0.00 ATOM 595 O GLU 78 14.951 28.119 37.242 1.00 0.00 ATOM 596 C GLU 78 15.503 27.021 37.461 1.00 0.00 ATOM 597 N ALA 79 15.443 25.998 36.593 1.00 0.00 ATOM 598 CA ALA 79 14.666 26.143 35.352 1.00 0.00 ATOM 599 CB ALA 79 14.711 24.922 34.404 1.00 0.00 ATOM 600 O ALA 79 12.491 27.096 34.964 1.00 0.00 ATOM 601 C ALA 79 13.179 26.336 35.650 1.00 0.00 ATOM 602 N GLU 80 12.672 25.621 36.669 1.00 0.00 ATOM 603 CA GLU 80 11.265 25.733 37.046 1.00 0.00 ATOM 604 CB GLU 80 10.916 24.706 38.154 1.00 0.00 ATOM 605 CG GLU 80 11.090 23.260 37.770 1.00 0.00 ATOM 606 CD GLU 80 10.452 22.331 38.783 1.00 0.00 ATOM 607 OE1 GLU 80 10.530 22.632 39.995 1.00 0.00 ATOM 608 OE2 GLU 80 9.879 21.300 38.367 1.00 0.00 ATOM 609 O GLU 80 9.982 27.760 37.133 1.00 0.00 ATOM 610 C GLU 80 10.966 27.146 37.539 1.00 0.00 ATOM 611 N LYS 81 11.832 27.628 38.359 1.00 0.00 ATOM 612 CA LYS 81 11.648 28.976 38.881 1.00 0.00 ATOM 613 CB LYS 81 12.649 29.335 39.929 1.00 0.00 ATOM 614 CG LYS 81 12.312 28.586 41.201 1.00 0.00 ATOM 615 CD LYS 81 13.344 28.688 42.277 1.00 0.00 ATOM 616 CE LYS 81 14.088 30.006 42.306 1.00 0.00 ATOM 617 NZ LYS 81 15.045 29.983 43.448 1.00 0.00 ATOM 618 O LYS 81 10.999 30.881 37.561 1.00 0.00 ATOM 619 C LYS 81 11.798 29.962 37.720 1.00 0.00 ATOM 620 N THR 82 12.784 29.749 36.856 1.00 0.00 ATOM 621 CA THR 82 13.026 30.655 35.759 1.00 0.00 ATOM 622 CB THR 82 14.559 30.499 35.352 1.00 0.00 ATOM 623 CG2 THR 82 14.948 31.509 34.282 1.00 0.00 ATOM 624 OG1 THR 82 15.390 30.700 36.502 1.00 0.00 ATOM 625 O THR 82 11.731 31.538 33.977 1.00 0.00 ATOM 626 C THR 82 12.021 30.533 34.619 1.00 0.00 ATOM 627 N VAL 83 11.524 29.355 34.265 1.00 0.00 ATOM 628 CA VAL 83 10.665 29.221 33.095 1.00 0.00 ATOM 629 CB VAL 83 11.980 28.278 32.149 1.00 0.00 ATOM 630 CG1 VAL 83 13.401 28.506 32.680 1.00 0.00 ATOM 631 CG2 VAL 83 11.527 26.855 32.396 1.00 0.00 ATOM 632 O VAL 83 8.324 28.921 32.571 1.00 0.00 ATOM 633 C VAL 83 9.241 28.787 33.395 1.00 0.00 ATOM 634 N ASP 84 8.992 28.152 34.667 1.00 0.00 ATOM 635 CA ASP 84 7.690 27.685 35.072 1.00 0.00 ATOM 636 CB ASP 84 6.543 28.557 34.468 1.00 0.00 ATOM 637 CG ASP 84 6.662 30.027 34.791 1.00 0.00 ATOM 638 OD1 ASP 84 7.006 30.357 35.941 1.00 0.00 ATOM 639 OD2 ASP 84 6.399 30.855 33.897 1.00 0.00 ATOM 640 O ASP 84 7.929 25.791 33.625 1.00 0.00 ATOM 641 C ASP 84 7.517 26.231 34.704 1.00 0.00 ATOM 642 N VAL 85 6.860 25.480 35.609 1.00 0.00 ATOM 643 CA VAL 85 6.597 24.051 35.400 1.00 0.00 ATOM 644 CB VAL 85 5.923 23.399 36.637 1.00 0.00 ATOM 645 CG1 VAL 85 5.509 21.961 36.322 1.00 0.00 ATOM 646 CG2 VAL 85 6.882 23.409 37.818 1.00 0.00 ATOM 647 O VAL 85 5.961 22.924 33.388 1.00 0.00 ATOM 648 C VAL 85 5.705 23.829 34.191 1.00 0.00 ATOM 649 N SER 86 4.650 24.595 34.060 1.00 0.00 ATOM 650 CA SER 86 3.743 24.438 32.929 1.00 0.00 ATOM 651 CB SER 86 2.485 25.287 32.953 1.00 0.00 ATOM 652 OG SER 86 1.722 24.774 34.088 1.00 0.00 ATOM 653 O SER 86 4.295 24.024 30.649 1.00 0.00 ATOM 654 C SER 86 4.485 24.760 31.636 1.00 0.00 ATOM 655 N ARG 87 5.388 25.722 31.614 1.00 0.00 ATOM 656 CA ARG 87 6.117 25.990 30.353 1.00 0.00 ATOM 657 CB ARG 87 6.842 27.313 30.597 1.00 0.00 ATOM 658 CG ARG 87 7.296 28.017 29.385 1.00 0.00 ATOM 659 CD ARG 87 7.740 29.445 29.662 1.00 0.00 ATOM 660 NE ARG 87 6.825 30.462 30.106 1.00 0.00 ATOM 661 CZ ARG 87 7.142 31.646 30.558 1.00 0.00 ATOM 662 NH1 ARG 87 8.423 32.054 30.645 1.00 0.00 ATOM 663 NH2 ARG 87 6.162 32.488 30.936 1.00 0.00 ATOM 664 O ARG 87 7.127 24.346 28.815 1.00 0.00 ATOM 665 C ARG 87 6.994 24.832 29.985 1.00 0.00 ATOM 666 N LEU 88 7.706 24.285 31.025 1.00 0.00 ATOM 667 CA LEU 88 8.609 23.132 30.782 1.00 0.00 ATOM 668 CB LEU 88 9.406 22.733 32.020 1.00 0.00 ATOM 669 CG LEU 88 10.417 23.830 32.430 1.00 0.00 ATOM 670 CD1 LEU 88 10.972 23.582 33.826 1.00 0.00 ATOM 671 CD2 LEU 88 11.504 23.924 31.336 1.00 0.00 ATOM 672 O LEU 88 8.307 21.157 29.447 1.00 0.00 ATOM 673 C LEU 88 7.843 21.899 30.330 1.00 0.00 ATOM 674 N ARG 89 6.668 21.652 30.917 1.00 0.00 ATOM 675 CA ARG 89 5.843 20.520 30.496 1.00 0.00 ATOM 676 CB ARG 89 4.625 20.357 31.403 1.00 0.00 ATOM 677 CG ARG 89 3.863 19.044 31.186 1.00 0.00 ATOM 678 CD ARG 89 4.771 17.825 31.361 1.00 0.00 ATOM 679 NE ARG 89 4.008 16.578 31.400 1.00 0.00 ATOM 680 CZ ARG 89 4.554 15.366 31.465 1.00 0.00 ATOM 681 NH1 ARG 89 5.871 15.228 31.498 1.00 0.00 ATOM 682 NH2 ARG 89 3.780 14.291 31.503 1.00 0.00 ATOM 683 O ARG 89 5.390 19.673 28.307 1.00 0.00 ATOM 684 C ARG 89 5.401 20.657 29.043 1.00 0.00 ATOM 685 N ARG 90 5.029 21.867 28.636 1.00 0.00 ATOM 686 CA ARG 90 4.597 22.098 27.257 1.00 0.00 ATOM 687 CB ARG 90 4.175 23.557 27.069 1.00 0.00 ATOM 688 CG ARG 90 3.658 23.869 25.670 1.00 0.00 ATOM 689 CD ARG 90 3.250 25.326 25.528 1.00 0.00 ATOM 690 NE ARG 90 4.393 26.231 25.625 1.00 0.00 ATOM 691 CZ ARG 90 4.615 27.055 26.644 1.00 0.00 ATOM 692 NH1 ARG 90 3.772 27.098 27.667 1.00 0.00 ATOM 693 NH2 ARG 90 5.684 27.840 26.641 1.00 0.00 ATOM 694 O ARG 90 5.505 21.077 25.270 1.00 0.00 ATOM 695 C ARG 90 5.725 21.750 26.287 1.00 0.00 ATOM 696 N LEU 91 6.937 22.205 26.596 1.00 0.00 ATOM 697 CA LEU 91 8.095 21.929 25.751 1.00 0.00 ATOM 698 CB LEU 91 9.316 22.700 26.258 1.00 0.00 ATOM 699 CG LEU 91 9.313 24.207 25.987 1.00 0.00 ATOM 700 CD1 LEU 91 10.446 24.873 26.749 1.00 0.00 ATOM 701 CD2 LEU 91 9.449 24.453 24.491 1.00 0.00 ATOM 702 O LEU 91 8.800 19.893 24.647 1.00 0.00 ATOM 703 C LEU 91 8.430 20.423 25.703 1.00 0.00 ATOM 704 N VAL 92 8.305 19.764 26.832 1.00 0.00 ATOM 705 CA VAL 92 8.588 18.330 26.912 1.00 0.00 ATOM 706 CB VAL 92 8.529 17.888 28.374 1.00 0.00 ATOM 707 CG1 VAL 92 8.695 16.361 28.495 1.00 0.00 ATOM 708 CG2 VAL 92 9.614 18.580 29.207 1.00 0.00 ATOM 709 O VAL 92 7.992 16.645 25.307 1.00 0.00 ATOM 710 C VAL 92 7.607 17.565 26.025 1.00 0.00 ATOM 711 N THR 93 6.246 17.876 26.130 1.00 0.00 ATOM 712 CA THR 93 5.211 17.216 25.345 1.00 0.00 ATOM 713 CB THR 93 3.813 17.720 25.590 1.00 0.00 ATOM 714 CG2 THR 93 3.380 17.478 27.047 1.00 0.00 ATOM 715 OG1 THR 93 3.763 19.132 25.361 1.00 0.00 ATOM 716 O THR 93 5.237 16.450 23.040 1.00 0.00 ATOM 717 C THR 93 5.418 17.398 23.831 1.00 0.00 ATOM 718 N GLN 94 5.767 18.620 23.429 1.00 0.00 ATOM 719 CA GLN 94 5.991 18.919 22.024 1.00 0.00 ATOM 720 CB GLN 94 6.325 20.384 21.815 1.00 0.00 ATOM 721 CG GLN 94 6.394 20.801 20.337 1.00 0.00 ATOM 722 CD GLN 94 5.092 20.529 19.601 1.00 0.00 ATOM 723 OE1 GLN 94 4.049 21.092 19.973 1.00 0.00 ATOM 724 NE2 GLN 94 5.127 19.643 18.561 1.00 0.00 ATOM 725 O GLN 94 7.139 17.573 20.424 1.00 0.00 ATOM 726 C GLN 94 7.189 18.134 21.514 1.00 0.00 ATOM 727 N SER 95 8.266 18.090 22.281 1.00 0.00 ATOM 728 CA SER 95 9.479 17.339 21.859 1.00 0.00 ATOM 729 CB SER 95 10.649 17.569 22.762 1.00 0.00 ATOM 730 OG SER 95 10.408 17.189 24.101 1.00 0.00 ATOM 731 O SER 95 9.551 15.176 20.859 1.00 0.00 ATOM 732 C SER 95 9.152 15.853 21.791 1.00 0.00 ATOM 733 N THR 96 8.385 15.324 22.837 1.00 0.00 ATOM 734 CA THR 96 7.999 13.928 22.612 1.00 0.00 ATOM 735 CB THR 96 8.522 13.006 23.753 1.00 0.00 ATOM 736 CG2 THR 96 10.044 12.999 23.797 1.00 0.00 ATOM 737 OG1 THR 96 8.012 13.459 25.012 1.00 0.00 ATOM 738 O THR 96 5.769 14.589 23.179 1.00 0.00 ATOM 739 C THR 96 6.478 13.756 22.603 1.00 0.00 ATOM 740 N PRO 97 5.996 12.736 21.912 1.00 0.00 ATOM 741 CA PRO 97 4.539 12.524 21.878 1.00 0.00 ATOM 742 CB PRO 97 4.396 11.151 21.217 1.00 0.00 ATOM 743 CG PRO 97 5.588 11.061 20.326 1.00 0.00 ATOM 744 CD PRO 97 6.708 11.695 21.145 1.00 0.00 ATOM 745 O PRO 97 4.499 11.843 24.174 1.00 0.00 ATOM 746 C PRO 97 3.949 12.511 23.272 1.00 0.00 TER END