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 1 Wed Jul 5 12:09:08 2006 MODEL 1 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 12.051 26.401 21.703 1.00 0.00 ATOM 2 CA MET 1 11.619 25.871 23.010 1.00 0.00 ATOM 3 CB MET 1 12.170 24.449 23.220 1.00 0.00 ATOM 4 CG MET 1 11.908 23.877 24.622 1.00 0.00 ATOM 5 SD MET 1 12.571 22.209 24.911 1.00 0.00 ATOM 6 CE MET 1 11.540 21.335 23.762 1.00 0.00 ATOM 7 O MET 1 13.303 27.132 24.167 1.00 0.00 ATOM 8 C MET 1 12.162 26.671 24.191 1.00 0.00 ATOM 9 N LYS 2 11.360 26.840 25.194 1.00 0.00 ATOM 10 CA LYS 2 11.774 27.588 26.379 1.00 0.00 ATOM 11 CB LYS 2 10.565 27.848 27.277 1.00 0.00 ATOM 12 CG LYS 2 9.510 28.725 26.618 1.00 0.00 ATOM 13 CD LYS 2 8.349 29.008 27.567 1.00 0.00 ATOM 14 CE LYS 2 7.461 30.064 26.929 1.00 0.00 ATOM 15 NZ LYS 2 6.165 30.102 27.599 1.00 0.00 ATOM 16 O LYS 2 13.810 27.443 27.604 1.00 0.00 ATOM 17 C LYS 2 12.870 26.838 27.120 1.00 0.00 ATOM 18 N MET 3 12.782 25.475 27.225 1.00 0.00 ATOM 19 CA MET 3 13.798 24.685 27.903 1.00 0.00 ATOM 20 CB MET 3 13.360 23.230 28.125 1.00 0.00 ATOM 21 CG MET 3 12.143 23.142 29.037 1.00 0.00 ATOM 22 SD MET 3 11.920 21.572 29.934 1.00 0.00 ATOM 23 CE MET 3 13.125 21.868 31.217 1.00 0.00 ATOM 24 O MET 3 16.194 24.757 27.770 1.00 0.00 ATOM 25 C MET 3 15.129 24.734 27.160 1.00 0.00 ATOM 26 N ALA 4 15.050 24.732 25.854 1.00 0.00 ATOM 27 CA ALA 4 16.252 24.771 25.039 1.00 0.00 ATOM 28 CB ALA 4 15.860 24.154 23.716 1.00 0.00 ATOM 29 O ALA 4 17.956 26.339 24.486 1.00 0.00 ATOM 30 C ALA 4 16.823 26.192 24.895 1.00 0.00 ATOM 31 N ASN 5 16.086 27.219 25.318 1.00 0.00 ATOM 32 CA ASN 5 16.640 28.577 25.335 1.00 0.00 ATOM 33 CB ASN 5 15.689 29.615 25.749 1.00 0.00 ATOM 34 CG ASN 5 14.854 30.082 24.579 1.00 0.00 ATOM 35 ND2 ASN 5 13.555 30.219 24.783 1.00 0.00 ATOM 36 OD1 ASN 5 15.375 30.287 23.482 1.00 0.00 ATOM 37 O ASN 5 18.898 29.049 26.022 1.00 0.00 ATOM 38 C ASN 5 17.782 28.683 26.345 1.00 0.00 ATOM 39 N HIS 6 17.491 28.278 27.585 1.00 0.00 ATOM 40 CA HIS 6 18.543 28.225 28.618 1.00 0.00 ATOM 41 CB HIS 6 17.967 27.675 29.881 1.00 0.00 ATOM 42 CG HIS 6 16.966 28.595 30.502 1.00 0.00 ATOM 43 CD2 HIS 6 17.090 29.509 31.496 1.00 0.00 ATOM 44 ND1 HIS 6 15.661 28.685 30.064 1.00 0.00 ATOM 45 CE1 HIS 6 15.027 29.611 30.760 1.00 0.00 ATOM 46 NE2 HIS 6 15.871 30.126 31.635 1.00 0.00 ATOM 47 O HIS 6 19.315 26.356 27.412 1.00 0.00 ATOM 48 C HIS 6 19.667 27.316 28.084 1.00 0.00 ATOM 49 N PRO 7 20.946 27.692 28.193 1.00 0.00 ATOM 50 CA PRO 7 22.062 26.904 27.644 1.00 0.00 ATOM 51 CB PRO 7 23.257 27.839 27.677 1.00 0.00 ATOM 52 CG PRO 7 22.943 28.754 28.853 1.00 0.00 ATOM 53 CD PRO 7 21.441 28.994 28.691 1.00 0.00 ATOM 54 O PRO 7 23.073 24.795 27.839 1.00 0.00 ATOM 55 C PRO 7 22.301 25.592 28.315 1.00 0.00 ATOM 56 N ARG 8 21.612 25.267 29.480 1.00 0.00 ATOM 57 CA ARG 8 21.781 23.969 30.156 1.00 0.00 ATOM 58 CB ARG 8 20.586 23.727 31.091 1.00 0.00 ATOM 59 CG ARG 8 19.812 24.933 31.606 1.00 0.00 ATOM 60 CD ARG 8 18.395 24.424 31.880 1.00 0.00 ATOM 61 NE ARG 8 17.625 25.285 32.782 1.00 0.00 ATOM 62 CZ ARG 8 16.380 25.024 33.205 1.00 0.00 ATOM 63 NH1 ARG 8 15.757 25.804 34.071 1.00 0.00 ATOM 64 NH2 ARG 8 15.692 24.010 32.728 1.00 0.00 ATOM 65 O ARG 8 22.496 21.780 29.436 1.00 0.00 ATOM 66 C ARG 8 21.750 22.733 29.208 1.00 0.00 ATOM 67 N PRO 9 20.778 22.657 28.282 1.00 0.00 ATOM 68 CA PRO 9 20.631 21.490 27.395 1.00 0.00 ATOM 69 CB PRO 9 19.354 21.750 26.581 1.00 0.00 ATOM 70 CG PRO 9 19.266 23.267 26.535 1.00 0.00 ATOM 71 CD PRO 9 19.705 23.609 27.945 1.00 0.00 ATOM 72 O PRO 9 22.147 20.052 26.271 1.00 0.00 ATOM 73 C PRO 9 21.855 21.224 26.509 1.00 0.00 ATOM 74 N GLY 10 22.591 22.267 26.157 1.00 0.00 ATOM 75 CA GLY 10 23.815 22.191 25.345 1.00 0.00 ATOM 76 O GLY 10 25.642 20.672 25.452 1.00 0.00 ATOM 77 C GLY 10 24.937 21.465 26.070 1.00 0.00 ATOM 78 N ASP 11 25.104 21.702 27.382 1.00 0.00 ATOM 79 CA ASP 11 26.111 20.986 28.177 1.00 0.00 ATOM 80 CB ASP 11 26.196 21.580 29.603 1.00 0.00 ATOM 81 CG ASP 11 26.986 22.870 29.662 1.00 0.00 ATOM 82 OD1 ASP 11 27.726 23.160 28.706 1.00 0.00 ATOM 83 OD2 ASP 11 26.848 23.612 30.660 1.00 0.00 ATOM 84 O ASP 11 26.662 18.643 28.118 1.00 0.00 ATOM 85 C ASP 11 25.805 19.497 28.295 1.00 0.00 ATOM 86 N ILE 12 24.511 19.215 28.436 1.00 0.00 ATOM 87 CA ILE 12 24.054 17.818 28.488 1.00 0.00 ATOM 88 CB ILE 12 22.570 17.735 28.884 1.00 0.00 ATOM 89 CG1 ILE 12 22.296 18.399 30.233 1.00 0.00 ATOM 90 CG2 ILE 12 22.060 16.286 28.809 1.00 0.00 ATOM 91 CD1 ILE 12 23.049 17.748 31.394 1.00 0.00 ATOM 92 O ILE 12 24.793 15.983 27.141 1.00 0.00 ATOM 93 C ILE 12 24.323 17.108 27.157 1.00 0.00 ATOM 94 N ILE 13 23.947 17.762 26.053 1.00 0.00 ATOM 95 CA ILE 13 24.157 17.178 24.712 1.00 0.00 ATOM 96 CB ILE 13 23.568 18.078 23.600 1.00 0.00 ATOM 97 CG1 ILE 13 22.049 18.235 23.797 1.00 0.00 ATOM 98 CG2 ILE 13 23.831 17.483 22.211 1.00 0.00 ATOM 99 CD1 ILE 13 21.415 19.290 22.884 1.00 0.00 ATOM 100 O ILE 13 26.051 15.863 23.986 1.00 0.00 ATOM 101 C ILE 13 25.668 16.926 24.491 1.00 0.00 ATOM 102 N GLN 14 26.515 17.874 24.908 1.00 0.00 ATOM 103 CA GLN 14 27.983 17.722 24.786 1.00 0.00 ATOM 104 CB GLN 14 28.511 18.917 25.580 1.00 0.00 ATOM 105 CG GLN 14 29.890 19.434 25.204 1.00 0.00 ATOM 106 CD GLN 14 30.527 20.208 26.366 1.00 0.00 ATOM 107 OE1 GLN 14 29.939 20.951 27.154 1.00 0.00 ATOM 108 NE2 GLN 14 31.815 20.056 26.471 1.00 0.00 ATOM 109 O GLN 14 29.257 15.694 25.115 1.00 0.00 ATOM 110 C GLN 14 28.459 16.502 25.595 1.00 0.00 ATOM 111 N GLU 15 27.957 16.380 26.812 1.00 0.00 ATOM 112 CA GLU 15 28.344 15.246 27.652 1.00 0.00 ATOM 113 CB GLU 15 27.776 15.382 29.052 1.00 0.00 ATOM 114 CG GLU 15 28.220 14.286 30.002 1.00 0.00 ATOM 115 CD GLU 15 27.648 14.421 31.423 1.00 0.00 ATOM 116 OE1 GLU 15 27.187 15.528 31.851 1.00 0.00 ATOM 117 OE2 GLU 15 27.662 13.402 32.135 1.00 0.00 ATOM 118 O GLU 15 28.677 12.945 26.946 1.00 0.00 ATOM 119 C GLU 15 27.892 13.885 27.066 1.00 0.00 ATOM 120 N SER 16 26.632 13.795 26.661 1.00 0.00 ATOM 121 CA SER 16 26.088 12.564 26.120 1.00 0.00 ATOM 122 CB SER 16 24.591 12.701 25.901 1.00 0.00 ATOM 123 OG SER 16 23.917 12.877 27.136 1.00 0.00 ATOM 124 O SER 16 27.128 11.024 24.605 1.00 0.00 ATOM 125 C SER 16 26.779 12.184 24.815 1.00 0.00 ATOM 126 N LEU 17 26.996 13.162 23.933 1.00 0.00 ATOM 127 CA LEU 17 27.651 12.902 22.656 1.00 0.00 ATOM 128 CB LEU 17 27.673 14.183 21.841 1.00 0.00 ATOM 129 CG LEU 17 26.309 14.575 21.295 1.00 0.00 ATOM 130 CD1 LEU 17 26.451 15.951 20.645 1.00 0.00 ATOM 131 CD2 LEU 17 25.860 13.580 20.237 1.00 0.00 ATOM 132 O LEU 17 29.485 11.401 22.282 1.00 0.00 ATOM 133 C LEU 17 29.068 12.398 22.876 1.00 0.00 ATOM 134 N ASP 18 29.830 13.087 23.731 1.00 0.00 ATOM 135 CA ASP 18 31.226 12.700 23.968 1.00 0.00 ATOM 136 CB ASP 18 31.961 13.774 24.777 1.00 0.00 ATOM 137 CG ASP 18 32.211 15.066 23.980 1.00 0.00 ATOM 138 OD1 ASP 18 32.109 15.033 22.725 1.00 0.00 ATOM 139 OD2 ASP 18 32.647 16.055 24.618 1.00 0.00 ATOM 140 O ASP 18 32.125 10.517 24.193 1.00 0.00 ATOM 141 C ASP 18 31.344 11.350 24.660 1.00 0.00 ATOM 142 N GLU 19 30.402 11.058 25.559 1.00 0.00 ATOM 143 CA GLU 19 30.360 9.728 26.225 1.00 0.00 ATOM 144 CB GLU 19 29.333 9.701 27.348 1.00 0.00 ATOM 145 CG GLU 19 29.767 10.456 28.592 1.00 0.00 ATOM 146 CD GLU 19 31.211 10.174 28.983 1.00 0.00 ATOM 147 OE1 GLU 19 32.029 11.119 28.919 1.00 0.00 ATOM 148 OE2 GLU 19 31.535 9.017 29.341 1.00 0.00 ATOM 149 O GLU 19 30.433 7.459 25.456 1.00 0.00 ATOM 150 C GLU 19 30.043 8.624 25.248 1.00 0.00 ATOM 151 N LEU 20 29.342 8.951 24.173 1.00 0.00 ATOM 152 CA LEU 20 28.983 7.991 23.134 1.00 0.00 ATOM 153 CB LEU 20 27.663 8.386 22.469 1.00 0.00 ATOM 154 CG LEU 20 26.487 8.345 23.437 1.00 0.00 ATOM 155 CD1 LEU 20 25.285 8.858 22.689 1.00 0.00 ATOM 156 CD2 LEU 20 26.233 6.934 23.954 1.00 0.00 ATOM 157 O LEU 20 29.878 7.035 21.165 1.00 0.00 ATOM 158 C LEU 20 30.042 7.867 22.049 1.00 0.00 ATOM 159 N ASN 21 31.066 8.712 22.086 1.00 0.00 ATOM 160 CA ASN 21 32.173 8.752 21.096 1.00 0.00 ATOM 161 CB ASN 21 32.871 7.389 20.986 1.00 0.00 ATOM 162 CG ASN 21 33.485 6.998 22.314 1.00 0.00 ATOM 163 ND2 ASN 21 33.203 5.798 22.721 1.00 0.00 ATOM 164 OD1 ASN 21 34.213 7.752 22.950 1.00 0.00 ATOM 165 O ASN 21 32.000 8.621 18.684 1.00 0.00 ATOM 166 C ASN 21 31.659 9.185 19.715 1.00 0.00 ATOM 167 N VAL 22 30.853 10.201 19.720 1.00 0.00 ATOM 168 CA VAL 22 30.339 10.760 18.461 1.00 0.00 ATOM 169 CB VAL 22 28.797 10.699 18.420 1.00 0.00 ATOM 170 CG1 VAL 22 28.273 11.358 17.143 1.00 0.00 ATOM 171 CG2 VAL 22 28.336 9.267 18.540 1.00 0.00 ATOM 172 O VAL 22 30.767 12.996 19.288 1.00 0.00 ATOM 173 C VAL 22 30.792 12.222 18.337 1.00 0.00 ATOM 174 N SER 23 31.434 12.491 17.213 1.00 0.00 ATOM 175 CA SER 23 31.864 13.861 16.899 1.00 0.00 ATOM 176 CB SER 23 32.827 13.894 15.712 1.00 0.00 ATOM 177 OG SER 23 32.155 13.658 14.475 1.00 0.00 ATOM 178 O SER 23 29.595 14.256 16.158 1.00 0.00 ATOM 179 C SER 23 30.637 14.738 16.594 1.00 0.00 ATOM 180 N LEU 24 30.852 16.052 16.625 1.00 0.00 ATOM 181 CA LEU 24 29.787 17.000 16.228 1.00 0.00 ATOM 182 CB LEU 24 30.234 18.432 16.516 1.00 0.00 ATOM 183 CG LEU 24 30.642 18.666 17.975 1.00 0.00 ATOM 184 CD1 LEU 24 30.797 20.150 18.231 1.00 0.00 ATOM 185 CD2 LEU 24 29.602 18.068 18.916 1.00 0.00 ATOM 186 O LEU 24 28.353 16.894 14.354 1.00 0.00 ATOM 187 C LEU 24 29.491 16.845 14.743 1.00 0.00 ATOM 188 N ARG 25 30.487 16.555 13.908 1.00 0.00 ATOM 189 CA ARG 25 30.197 16.273 12.490 1.00 0.00 ATOM 190 CB ARG 25 31.445 16.049 11.687 1.00 0.00 ATOM 191 CG ARG 25 32.256 17.316 11.444 1.00 0.00 ATOM 192 CD ARG 25 33.311 17.094 10.363 1.00 0.00 ATOM 193 NE ARG 25 34.386 16.200 10.788 1.00 0.00 ATOM 194 CZ ARG 25 35.399 16.567 11.566 1.00 0.00 ATOM 195 NH1 ARG 25 35.484 17.815 12.007 1.00 0.00 ATOM 196 NH2 ARG 25 36.331 15.686 11.906 1.00 0.00 ATOM 197 O ARG 25 28.375 14.993 11.532 1.00 0.00 ATOM 198 C ARG 25 29.328 15.005 12.301 1.00 0.00 ATOM 199 N GLU 26 29.661 13.945 13.015 1.00 0.00 ATOM 200 CA GLU 26 28.920 12.694 12.915 1.00 0.00 ATOM 201 CB GLU 26 29.608 11.557 13.625 1.00 0.00 ATOM 202 CG GLU 26 30.782 11.000 12.847 1.00 0.00 ATOM 203 CD GLU 26 31.475 9.772 13.539 1.00 0.00 ATOM 204 OE1 GLU 26 30.769 9.023 14.245 1.00 0.00 ATOM 205 OE2 GLU 26 32.737 9.617 13.306 1.00 0.00 ATOM 206 O GLU 26 26.558 12.377 12.749 1.00 0.00 ATOM 207 C GLU 26 27.486 12.855 13.409 1.00 0.00 ATOM 208 N PHE 27 27.349 13.499 14.570 1.00 0.00 ATOM 209 CA PHE 27 26.017 13.710 15.152 1.00 0.00 ATOM 210 CB PHE 27 26.207 14.283 16.552 1.00 0.00 ATOM 211 CG PHE 27 24.995 14.582 17.353 1.00 0.00 ATOM 212 CD1 PHE 27 24.018 13.645 17.642 1.00 0.00 ATOM 213 CD2 PHE 27 24.859 15.861 17.939 1.00 0.00 ATOM 214 CE1 PHE 27 22.931 13.999 18.469 1.00 0.00 ATOM 215 CE2 PHE 27 23.817 16.200 18.744 1.00 0.00 ATOM 216 CZ PHE 27 22.851 15.245 19.029 1.00 0.00 ATOM 217 O PHE 27 23.970 14.244 14.009 1.00 0.00 ATOM 218 C PHE 27 25.155 14.533 14.195 1.00 0.00 ATOM 219 N ALA 28 25.753 15.570 13.586 1.00 0.00 ATOM 220 CA ALA 28 25.042 16.435 12.646 1.00 0.00 ATOM 221 CB ALA 28 25.981 17.551 12.212 1.00 0.00 ATOM 222 O ALA 28 23.448 15.764 10.993 1.00 0.00 ATOM 223 C ALA 28 24.572 15.620 11.452 1.00 0.00 ATOM 224 N ARG 29 25.436 14.718 10.917 1.00 0.00 ATOM 225 CA ARG 29 25.074 13.869 9.786 1.00 0.00 ATOM 226 CB ARG 29 26.277 13.048 9.320 1.00 0.00 ATOM 227 CG ARG 29 27.243 13.997 8.635 1.00 0.00 ATOM 228 CD ARG 29 28.473 13.246 8.190 1.00 0.00 ATOM 229 NE ARG 29 29.264 14.058 7.277 1.00 0.00 ATOM 230 CZ ARG 29 30.522 13.828 6.930 1.00 0.00 ATOM 231 NH1 ARG 29 31.193 12.779 7.363 1.00 0.00 ATOM 232 NH2 ARG 29 31.136 14.690 6.151 1.00 0.00 ATOM 233 O ARG 29 23.023 12.688 9.389 1.00 0.00 ATOM 234 C ARG 29 23.992 12.844 10.134 1.00 0.00 ATOM 235 N ALA 30 24.124 12.182 11.262 1.00 0.00 ATOM 236 CA ALA 30 23.103 11.226 11.681 1.00 0.00 ATOM 237 CB ALA 30 23.568 10.468 12.943 1.00 0.00 ATOM 238 O ALA 30 20.705 11.308 11.617 1.00 0.00 ATOM 239 C ALA 30 21.741 11.868 11.956 1.00 0.00 ATOM 240 N MET 31 21.769 13.090 12.483 1.00 0.00 ATOM 241 CA MET 31 20.539 13.816 12.820 1.00 0.00 ATOM 242 CB MET 31 20.835 14.543 14.139 1.00 0.00 ATOM 243 CG MET 31 21.019 16.020 13.882 1.00 0.00 ATOM 244 SD MET 31 21.217 17.131 15.290 1.00 0.00 ATOM 245 CE MET 31 22.921 17.106 15.748 1.00 0.00 ATOM 246 O MET 31 19.019 15.504 11.912 1.00 0.00 ATOM 247 C MET 31 19.949 14.718 11.697 1.00 0.00 ATOM 248 N GLU 32 20.681 14.757 10.579 1.00 0.00 ATOM 249 CA GLU 32 20.374 15.564 9.376 1.00 0.00 ATOM 250 CB GLU 32 19.130 14.949 8.724 1.00 0.00 ATOM 251 CG GLU 32 19.233 13.425 8.529 1.00 0.00 ATOM 252 CD GLU 32 17.937 12.662 8.214 1.00 0.00 ATOM 253 OE1 GLU 32 16.862 13.130 8.649 1.00 0.00 ATOM 254 OE2 GLU 32 18.074 11.565 7.644 1.00 0.00 ATOM 255 O GLU 32 19.425 17.775 9.361 1.00 0.00 ATOM 256 C GLU 32 20.341 17.044 9.735 1.00 0.00 ATOM 257 N ILE 33 21.380 17.522 10.449 1.00 0.00 ATOM 258 CA ILE 33 21.500 18.878 10.947 1.00 0.00 ATOM 259 CB ILE 33 21.312 18.930 12.473 1.00 0.00 ATOM 260 CG1 ILE 33 20.067 19.728 12.858 1.00 0.00 ATOM 261 CG2 ILE 33 22.521 19.410 13.302 1.00 0.00 ATOM 262 CD1 ILE 33 18.750 19.014 12.543 1.00 0.00 ATOM 263 O ILE 33 23.873 18.732 10.600 1.00 0.00 ATOM 264 C ILE 33 22.867 19.429 10.537 1.00 0.00 ATOM 265 N ALA 34 22.891 20.730 10.295 1.00 0.00 ATOM 266 CA ALA 34 24.166 21.453 10.081 1.00 0.00 ATOM 267 CB ALA 34 23.903 22.950 9.844 1.00 0.00 ATOM 268 O ALA 34 24.718 21.547 12.412 1.00 0.00 ATOM 269 C ALA 34 25.104 21.273 11.275 1.00 0.00 ATOM 270 N PRO 35 26.378 20.982 10.986 1.00 0.00 ATOM 271 CA PRO 35 27.412 20.941 12.036 1.00 0.00 ATOM 272 CB PRO 35 28.682 20.530 11.285 1.00 0.00 ATOM 273 CG PRO 35 28.140 19.634 10.180 1.00 0.00 ATOM 274 CD PRO 35 26.890 20.400 9.734 1.00 0.00 ATOM 275 O PRO 35 27.627 22.328 14.020 1.00 0.00 ATOM 276 C PRO 35 27.554 22.276 12.796 1.00 0.00 ATOM 277 N SER 36 27.393 23.385 12.085 1.00 0.00 ATOM 278 CA SER 36 27.430 24.703 12.752 1.00 0.00 ATOM 279 CB SER 36 27.322 25.827 11.740 1.00 0.00 ATOM 280 OG SER 36 26.036 25.816 11.089 1.00 0.00 ATOM 281 O SER 36 26.441 25.412 14.827 1.00 0.00 ATOM 282 C SER 36 26.277 24.813 13.764 1.00 0.00 ATOM 283 N THR 37 25.122 24.202 13.425 1.00 0.00 ATOM 284 CA THR 37 23.941 24.219 14.301 1.00 0.00 ATOM 285 CB THR 37 22.750 23.589 13.570 1.00 0.00 ATOM 286 CG2 THR 37 21.463 23.738 14.377 1.00 0.00 ATOM 287 OG1 THR 37 22.505 24.206 12.311 1.00 0.00 ATOM 288 O THR 37 23.771 23.891 16.660 1.00 0.00 ATOM 289 C THR 37 24.161 23.412 15.587 1.00 0.00 ATOM 290 N ALA 38 24.758 22.240 15.481 1.00 0.00 ATOM 291 CA ALA 38 25.047 21.400 16.659 1.00 0.00 ATOM 292 CB ALA 38 25.648 20.050 16.229 1.00 0.00 ATOM 293 O ALA 38 25.695 22.261 18.809 1.00 0.00 ATOM 294 C ALA 38 26.004 22.122 17.626 1.00 0.00 ATOM 295 N SER 39 26.988 22.801 17.053 1.00 0.00 ATOM 296 CA SER 39 27.928 23.628 17.846 1.00 0.00 ATOM 297 CB SER 39 29.058 24.123 16.930 1.00 0.00 ATOM 298 OG SER 39 30.005 24.887 17.651 1.00 0.00 ATOM 299 O SER 39 27.416 25.102 19.696 1.00 0.00 ATOM 300 C SER 39 27.192 24.792 18.508 1.00 0.00 ATOM 301 N ARG 40 26.302 25.473 17.741 1.00 0.00 ATOM 302 CA ARG 40 25.471 26.582 18.214 1.00 0.00 ATOM 303 CB ARG 40 24.441 26.758 17.097 1.00 0.00 ATOM 304 CG ARG 40 23.992 28.146 16.660 1.00 0.00 ATOM 305 CD ARG 40 24.840 28.584 15.469 1.00 0.00 ATOM 306 NE ARG 40 24.597 27.740 14.281 1.00 0.00 ATOM 307 CZ ARG 40 23.571 27.871 13.444 1.00 0.00 ATOM 308 NH1 ARG 40 22.692 28.845 13.573 1.00 0.00 ATOM 309 NH2 ARG 40 23.373 27.017 12.458 1.00 0.00 ATOM 310 O ARG 40 24.488 26.834 20.392 1.00 0.00 ATOM 311 C ARG 40 24.603 26.133 19.385 1.00 0.00 ATOM 312 N LEU 41 23.991 24.955 19.259 1.00 0.00 ATOM 313 CA LEU 41 23.148 24.409 20.321 1.00 0.00 ATOM 314 CB LEU 41 22.440 23.157 19.827 1.00 0.00 ATOM 315 CG LEU 41 21.376 23.489 18.781 1.00 0.00 ATOM 316 CD1 LEU 41 20.856 22.178 18.200 1.00 0.00 ATOM 317 CD2 LEU 41 20.246 24.271 19.428 1.00 0.00 ATOM 318 O LEU 41 23.441 24.277 22.724 1.00 0.00 ATOM 319 C LEU 41 23.933 24.080 21.592 1.00 0.00 ATOM 320 N LEU 42 25.129 23.571 21.419 1.00 0.00 ATOM 321 CA LEU 42 26.024 23.280 22.529 1.00 0.00 ATOM 322 CB LEU 42 27.283 22.575 22.021 1.00 0.00 ATOM 323 CG LEU 42 27.092 21.237 21.311 1.00 0.00 ATOM 324 CD1 LEU 42 28.453 20.712 20.880 1.00 0.00 ATOM 325 CD2 LEU 42 26.402 20.244 22.237 1.00 0.00 ATOM 326 O LEU 42 26.586 24.440 24.540 1.00 0.00 ATOM 327 C LEU 42 26.401 24.529 23.333 1.00 0.00 ATOM 328 N THR 43 26.377 25.686 22.676 1.00 0.00 ATOM 329 CA THR 43 26.706 26.984 23.312 1.00 0.00 ATOM 330 CB THR 43 27.565 27.858 22.362 1.00 0.00 ATOM 331 CG2 THR 43 28.798 27.147 21.852 1.00 0.00 ATOM 332 OG1 THR 43 26.806 28.149 21.174 1.00 0.00 ATOM 333 O THR 43 25.508 28.768 24.424 1.00 0.00 ATOM 334 C THR 43 25.446 27.694 23.790 1.00 0.00 ATOM 335 N GLY 44 24.243 27.183 23.454 1.00 0.00 ATOM 336 CA GLY 44 22.990 27.811 23.839 1.00 0.00 ATOM 337 O GLY 44 21.561 29.606 23.093 1.00 0.00 ATOM 338 C GLY 44 22.540 28.864 22.836 1.00 0.00 ATOM 339 N LYS 45 23.191 28.948 21.665 1.00 0.00 ATOM 340 CA LYS 45 22.884 30.060 20.731 1.00 0.00 ATOM 341 CB LYS 45 24.026 30.214 19.725 1.00 0.00 ATOM 342 CG LYS 45 23.780 31.342 18.721 1.00 0.00 ATOM 343 CD LYS 45 24.881 31.363 17.680 1.00 0.00 ATOM 344 CE LYS 45 24.710 32.573 16.781 1.00 0.00 ATOM 345 NZ LYS 45 25.700 32.598 15.698 1.00 0.00 ATOM 346 O LYS 45 21.017 30.788 19.348 1.00 0.00 ATOM 347 C LYS 45 21.519 29.898 20.044 1.00 0.00 ATOM 348 N ALA 46 20.998 28.691 20.050 1.00 0.00 ATOM 349 CA ALA 46 19.811 28.473 19.226 1.00 0.00 ATOM 350 CB ALA 46 20.073 27.346 18.226 1.00 0.00 ATOM 351 O ALA 46 18.634 27.312 20.936 1.00 0.00 ATOM 352 C ALA 46 18.566 28.108 19.998 1.00 0.00 ATOM 353 N ALA 47 17.475 28.688 19.504 1.00 0.00 ATOM 354 CA ALA 47 16.138 28.349 19.983 1.00 0.00 ATOM 355 CB ALA 47 15.102 29.302 19.376 1.00 0.00 ATOM 356 O ALA 47 15.006 26.655 18.709 1.00 0.00 ATOM 357 C ALA 47 15.797 26.910 19.614 1.00 0.00 ATOM 358 N LEU 48 16.559 25.953 20.284 1.00 0.00 ATOM 359 CA LEU 48 16.347 24.541 20.003 1.00 0.00 ATOM 360 CB LEU 48 17.321 23.693 20.820 1.00 0.00 ATOM 361 CG LEU 48 17.142 22.190 20.627 1.00 0.00 ATOM 362 CD1 LEU 48 17.536 21.819 19.214 1.00 0.00 ATOM 363 CD2 LEU 48 18.064 21.439 21.575 1.00 0.00 ATOM 364 O LEU 48 14.391 24.782 21.367 1.00 0.00 ATOM 365 C LEU 48 14.943 24.200 20.442 1.00 0.00 ATOM 366 N THR 49 14.313 23.453 19.572 1.00 0.00 ATOM 367 CA THR 49 12.884 23.168 19.711 1.00 0.00 ATOM 368 CB THR 49 12.081 23.839 18.587 1.00 0.00 ATOM 369 CG2 THR 49 12.289 25.347 18.480 1.00 0.00 ATOM 370 OG1 THR 49 12.231 23.130 17.372 1.00 0.00 ATOM 371 O THR 49 13.608 20.886 19.812 1.00 0.00 ATOM 372 C THR 49 12.648 21.658 19.829 1.00 0.00 ATOM 373 N PRO 50 11.375 21.254 19.965 1.00 0.00 ATOM 374 CA PRO 50 11.039 19.847 20.209 1.00 0.00 ATOM 375 CB PRO 50 9.527 19.830 20.198 1.00 0.00 ATOM 376 CG PRO 50 9.094 21.209 20.683 1.00 0.00 ATOM 377 CD PRO 50 10.165 22.097 20.093 1.00 0.00 ATOM 378 O PRO 50 12.113 17.832 19.539 1.00 0.00 ATOM 379 C PRO 50 11.575 18.866 19.162 1.00 0.00 ATOM 380 N GLU 51 11.437 19.191 17.883 1.00 0.00 ATOM 381 CA GLU 51 11.847 18.269 16.813 1.00 0.00 ATOM 382 CB GLU 51 11.462 18.810 15.437 1.00 0.00 ATOM 383 CG GLU 51 11.787 17.830 14.305 1.00 0.00 ATOM 384 CD GLU 51 11.429 18.393 12.920 1.00 0.00 ATOM 385 OE1 GLU 51 10.878 19.510 12.848 1.00 0.00 ATOM 386 OE2 GLU 51 11.781 17.724 11.922 1.00 0.00 ATOM 387 O GLU 51 13.764 16.830 16.814 1.00 0.00 ATOM 388 C GLU 51 13.347 17.988 16.847 1.00 0.00 ATOM 389 N MET 52 14.161 19.050 16.889 1.00 0.00 ATOM 390 CA MET 52 15.606 18.862 16.924 1.00 0.00 ATOM 391 CB MET 52 16.355 20.131 16.947 1.00 0.00 ATOM 392 CG MET 52 16.124 20.899 15.656 1.00 0.00 ATOM 393 SD MET 52 17.056 22.427 15.564 1.00 0.00 ATOM 394 CE MET 52 18.625 21.806 15.103 1.00 0.00 ATOM 395 O MET 52 16.799 17.174 18.151 1.00 0.00 ATOM 396 C MET 52 16.012 18.123 18.199 1.00 0.00 ATOM 397 N ALA 53 15.409 18.507 19.338 1.00 0.00 ATOM 398 CA ALA 53 15.715 17.869 20.617 1.00 0.00 ATOM 399 CB ALA 53 14.813 18.482 21.679 1.00 0.00 ATOM 400 O ALA 53 16.441 15.613 20.884 1.00 0.00 ATOM 401 C ALA 53 15.530 16.346 20.520 1.00 0.00 ATOM 402 N ILE 54 14.482 15.925 19.803 1.00 0.00 ATOM 403 CA ILE 54 14.239 14.478 19.555 1.00 0.00 ATOM 404 CB ILE 54 12.826 14.211 19.052 1.00 0.00 ATOM 405 CG1 ILE 54 11.840 14.567 20.150 1.00 0.00 ATOM 406 CG2 ILE 54 12.642 12.731 18.679 1.00 0.00 ATOM 407 CD1 ILE 54 10.410 14.601 19.629 1.00 0.00 ATOM 408 O ILE 54 15.711 12.777 18.736 1.00 0.00 ATOM 409 C ILE 54 15.250 13.898 18.561 1.00 0.00 ATOM 410 N LYS 55 15.499 14.604 17.463 1.00 0.00 ATOM 411 CA LYS 55 16.475 14.123 16.470 1.00 0.00 ATOM 412 CB LYS 55 16.682 15.140 15.338 1.00 0.00 ATOM 413 CG LYS 55 15.468 15.241 14.425 1.00 0.00 ATOM 414 CD LYS 55 15.737 16.242 13.314 1.00 0.00 ATOM 415 CE LYS 55 14.505 16.311 12.420 1.00 0.00 ATOM 416 NZ LYS 55 14.678 17.345 11.397 1.00 0.00 ATOM 417 O LYS 55 18.402 12.796 16.983 1.00 0.00 ATOM 418 C LYS 55 17.836 13.873 17.126 1.00 0.00 ATOM 419 N LEU 56 18.203 14.779 18.027 1.00 0.00 ATOM 420 CA LEU 56 19.480 14.714 18.771 1.00 0.00 ATOM 421 CB LEU 56 19.725 15.953 19.654 1.00 0.00 ATOM 422 CG LEU 56 19.477 17.386 19.154 1.00 0.00 ATOM 423 CD1 LEU 56 20.491 18.378 19.684 1.00 0.00 ATOM 424 CD2 LEU 56 19.519 17.554 17.656 1.00 0.00 ATOM 425 O LEU 56 20.369 12.792 19.865 1.00 0.00 ATOM 426 C LEU 56 19.436 13.580 19.768 1.00 0.00 ATOM 427 N SER 57 18.346 13.454 20.553 1.00 0.00 ATOM 428 CA SER 57 18.280 12.334 21.511 1.00 0.00 ATOM 429 CB SER 57 17.042 12.516 22.380 1.00 0.00 ATOM 430 OG SER 57 15.866 12.268 21.614 1.00 0.00 ATOM 431 O SER 57 18.926 10.031 21.265 1.00 0.00 ATOM 432 C SER 57 18.296 10.970 20.798 1.00 0.00 ATOM 433 N VAL 58 17.577 10.863 19.683 1.00 0.00 ATOM 434 CA VAL 58 17.517 9.626 18.906 1.00 0.00 ATOM 435 CB VAL 58 16.575 9.805 17.717 1.00 0.00 ATOM 436 CG1 VAL 58 16.701 8.659 16.746 1.00 0.00 ATOM 437 CG2 VAL 58 15.155 9.906 18.239 1.00 0.00 ATOM 438 O VAL 58 19.335 8.121 18.491 1.00 0.00 ATOM 439 C VAL 58 18.900 9.266 18.387 1.00 0.00 ATOM 440 N VAL 59 19.605 10.263 17.883 1.00 0.00 ATOM 441 CA VAL 59 20.935 10.032 17.306 1.00 0.00 ATOM 442 CB VAL 59 21.406 11.273 16.563 1.00 0.00 ATOM 443 CG1 VAL 59 22.808 11.078 16.020 1.00 0.00 ATOM 444 CG2 VAL 59 20.500 11.417 15.349 1.00 0.00 ATOM 445 O VAL 59 22.892 8.842 18.048 1.00 0.00 ATOM 446 C VAL 59 21.955 9.559 18.354 1.00 0.00 ATOM 447 N ILE 60 21.723 9.967 19.591 1.00 0.00 ATOM 448 CA ILE 60 22.580 9.583 20.728 1.00 0.00 ATOM 449 CB ILE 60 22.720 10.703 21.746 1.00 0.00 ATOM 450 CG1 ILE 60 21.377 11.041 22.383 1.00 0.00 ATOM 451 CG2 ILE 60 23.270 11.949 21.075 1.00 0.00 ATOM 452 CD1 ILE 60 21.478 11.846 23.666 1.00 0.00 ATOM 453 O ILE 60 22.753 7.765 22.306 1.00 0.00 ATOM 454 C ILE 60 22.086 8.304 21.421 1.00 0.00 ATOM 455 N GLY 61 20.906 7.843 21.025 1.00 0.00 ATOM 456 CA GLY 61 20.299 6.620 21.588 1.00 0.00 ATOM 457 O GLY 61 19.748 5.924 23.817 1.00 0.00 ATOM 458 C GLY 61 19.800 6.849 23.001 1.00 0.00 ATOM 459 N SER 62 19.390 8.061 23.339 1.00 0.00 ATOM 460 CA SER 62 18.949 8.378 24.683 1.00 0.00 ATOM 461 CB SER 62 19.911 9.346 25.351 1.00 0.00 ATOM 462 OG SER 62 19.456 9.763 26.634 1.00 0.00 ATOM 463 O SER 62 17.209 9.734 23.745 1.00 0.00 ATOM 464 C SER 62 17.542 8.950 24.634 1.00 0.00 ATOM 465 N SER 63 16.701 8.496 25.552 1.00 0.00 ATOM 466 CA SER 63 15.335 8.988 25.610 1.00 0.00 ATOM 467 CB SER 63 14.539 8.177 26.641 1.00 0.00 ATOM 468 OG SER 63 15.062 8.423 27.933 1.00 0.00 ATOM 469 O SER 63 16.177 10.982 26.681 1.00 0.00 ATOM 470 C SER 63 15.363 10.500 25.894 1.00 0.00 ATOM 471 N PRO 64 14.415 11.226 25.314 1.00 0.00 ATOM 472 CA PRO 64 14.267 12.667 25.575 1.00 0.00 ATOM 473 CB PRO 64 13.067 13.010 24.715 1.00 0.00 ATOM 474 CG PRO 64 13.191 12.078 23.517 1.00 0.00 ATOM 475 CD PRO 64 13.525 10.779 24.211 1.00 0.00 ATOM 476 O PRO 64 14.499 13.943 27.601 1.00 0.00 ATOM 477 C PRO 64 14.061 12.931 27.058 1.00 0.00 ATOM 478 N GLN 65 13.373 11.994 27.777 1.00 0.00 ATOM 479 CA GLN 65 13.138 12.107 29.208 1.00 0.00 ATOM 480 CB GLN 65 12.517 10.524 29.515 1.00 0.00 ATOM 481 CG GLN 65 11.645 9.861 28.461 1.00 0.00 ATOM 482 CD GLN 65 10.910 8.648 28.998 1.00 0.00 ATOM 483 OE1 GLN 65 11.504 7.780 29.637 1.00 0.00 ATOM 484 NE2 GLN 65 9.610 8.578 28.737 1.00 0.00 ATOM 485 O GLN 65 14.684 12.889 30.831 1.00 0.00 ATOM 486 C GLN 65 14.473 12.085 29.938 1.00 0.00 ATOM 487 N MET 66 15.400 11.208 29.558 1.00 0.00 ATOM 488 CA MET 66 16.711 11.160 30.200 1.00 0.00 ATOM 489 CB MET 66 17.494 9.964 29.677 1.00 0.00 ATOM 490 CG MET 66 16.892 8.656 30.195 1.00 0.00 ATOM 491 SD MET 66 16.893 8.447 32.013 1.00 0.00 ATOM 492 CE MET 66 18.646 8.367 32.291 1.00 0.00 ATOM 493 O MET 66 18.270 12.895 30.771 1.00 0.00 ATOM 494 C MET 66 17.532 12.417 29.909 1.00 0.00 ATOM 495 N TRP 67 17.352 12.946 28.700 1.00 0.00 ATOM 496 CA TRP 67 17.893 14.234 28.199 1.00 0.00 ATOM 497 CB TRP 67 17.164 14.480 26.871 1.00 0.00 ATOM 498 CG TRP 67 17.754 15.430 25.838 1.00 0.00 ATOM 499 CD1 TRP 67 18.686 15.009 24.999 1.00 0.00 ATOM 500 CD2 TRP 67 17.343 16.692 25.422 1.00 0.00 ATOM 501 CE2 TRP 67 18.128 16.985 24.316 1.00 0.00 ATOM 502 CE3 TRP 67 16.408 17.629 25.857 1.00 0.00 ATOM 503 NE1 TRP 67 18.924 15.935 24.086 1.00 0.00 ATOM 504 CZ2 TRP 67 18.019 18.206 23.668 1.00 0.00 ATOM 505 CZ3 TRP 67 16.288 18.850 25.209 1.00 0.00 ATOM 506 CH2 TRP 67 17.093 19.133 24.123 1.00 0.00 ATOM 507 O TRP 67 18.275 16.120 29.644 1.00 0.00 ATOM 508 C TRP 67 17.447 15.382 29.112 1.00 0.00 ATOM 509 N LEU 68 16.155 15.466 29.371 1.00 0.00 ATOM 510 CA LEU 68 15.624 16.521 30.225 1.00 0.00 ATOM 511 CB LEU 68 14.064 16.571 29.987 1.00 0.00 ATOM 512 CG LEU 68 13.501 17.173 28.699 1.00 0.00 ATOM 513 CD1 LEU 68 12.011 16.831 28.611 1.00 0.00 ATOM 514 CD2 LEU 68 13.703 18.687 28.684 1.00 0.00 ATOM 515 O LEU 68 16.229 17.272 32.437 1.00 0.00 ATOM 516 C LEU 68 16.024 16.307 31.688 1.00 0.00 ATOM 517 N ASN 69 16.111 15.037 32.137 1.00 0.00 ATOM 518 CA ASN 69 16.534 14.773 33.520 1.00 0.00 ATOM 519 CB ASN 69 16.511 13.275 33.831 1.00 0.00 ATOM 520 CG ASN 69 15.075 12.791 33.926 1.00 0.00 ATOM 521 ND2 ASN 69 14.902 11.509 33.756 1.00 0.00 ATOM 522 OD1 ASN 69 14.150 13.572 34.060 1.00 0.00 ATOM 523 O ASN 69 18.131 15.971 34.811 1.00 0.00 ATOM 524 C ASN 69 17.929 15.269 33.819 1.00 0.00 ATOM 525 N LEU 70 18.819 15.044 32.861 1.00 0.00 ATOM 526 CA LEU 70 20.177 15.586 32.920 1.00 0.00 ATOM 527 CB LEU 70 21.054 15.044 31.796 1.00 0.00 ATOM 528 CG LEU 70 21.392 13.548 31.868 1.00 0.00 ATOM 529 CD1 LEU 70 22.123 13.088 30.610 1.00 0.00 ATOM 530 CD2 LEU 70 22.205 13.211 33.115 1.00 0.00 ATOM 531 O LEU 70 20.949 17.752 33.619 1.00 0.00 ATOM 532 C LEU 70 20.211 17.111 32.880 1.00 0.00 ATOM 533 N GLN 71 19.355 17.695 32.043 1.00 0.00 ATOM 534 CA GLN 71 19.214 19.171 31.946 1.00 0.00 ATOM 535 CB GLN 71 18.201 19.497 30.852 1.00 0.00 ATOM 536 CG GLN 71 18.019 21.001 30.684 1.00 0.00 ATOM 537 CD GLN 71 16.965 21.344 29.649 1.00 0.00 ATOM 538 OE1 GLN 71 16.302 20.536 29.021 1.00 0.00 ATOM 539 NE2 GLN 71 16.818 22.620 29.430 1.00 0.00 ATOM 540 O GLN 71 19.278 20.781 33.719 1.00 0.00 ATOM 541 C GLN 71 18.734 19.765 33.263 1.00 0.00 ATOM 542 N ASN 72 17.769 19.096 33.892 1.00 0.00 ATOM 543 CA ASN 72 17.295 19.505 35.228 1.00 0.00 ATOM 544 CB ASN 72 16.103 18.661 35.676 1.00 0.00 ATOM 545 CG ASN 72 14.822 19.207 35.066 1.00 0.00 ATOM 546 ND2 ASN 72 13.937 18.291 34.790 1.00 0.00 ATOM 547 OD1 ASN 72 14.602 20.387 34.825 1.00 0.00 ATOM 548 O ASN 72 18.536 20.209 37.155 1.00 0.00 ATOM 549 C ASN 72 18.407 19.372 36.266 1.00 0.00 ATOM 550 N ALA 73 19.229 18.325 36.157 1.00 0.00 ATOM 551 CA ALA 73 20.321 18.119 37.105 1.00 0.00 ATOM 552 CB ALA 73 20.978 16.760 36.857 1.00 0.00 ATOM 553 O ALA 73 21.863 19.730 38.007 1.00 0.00 ATOM 554 C ALA 73 21.368 19.235 36.990 1.00 0.00 ATOM 555 N TRP 74 21.689 19.649 35.742 1.00 0.00 ATOM 556 CA TRP 74 22.635 20.740 35.499 1.00 0.00 ATOM 557 CB TRP 74 22.877 20.911 33.998 1.00 0.00 ATOM 558 CG TRP 74 23.971 21.957 33.721 1.00 0.00 ATOM 559 CD1 TRP 74 25.272 21.690 33.693 1.00 0.00 ATOM 560 CD2 TRP 74 23.829 23.323 33.503 1.00 0.00 ATOM 561 CE2 TRP 74 25.105 23.828 33.313 1.00 0.00 ATOM 562 CE3 TRP 74 22.751 24.196 33.483 1.00 0.00 ATOM 563 NE1 TRP 74 25.947 22.818 33.476 1.00 0.00 ATOM 564 CZ2 TRP 74 25.285 25.194 33.106 1.00 0.00 ATOM 565 CZ3 TRP 74 22.930 25.562 33.274 1.00 0.00 ATOM 566 CH2 TRP 74 24.207 26.057 33.075 1.00 0.00 ATOM 567 O TRP 74 22.826 22.781 36.770 1.00 0.00 ATOM 568 C TRP 74 22.118 22.065 36.069 1.00 0.00 ATOM 569 N SER 75 20.824 22.304 35.842 1.00 0.00 ATOM 570 CA SER 75 20.157 23.487 36.395 1.00 0.00 ATOM 571 CB SER 75 18.756 23.703 35.838 1.00 0.00 ATOM 572 OG SER 75 17.865 22.630 36.100 1.00 0.00 ATOM 573 O SER 75 20.269 24.469 38.578 1.00 0.00 ATOM 574 C SER 75 20.108 23.438 37.922 1.00 0.00 ATOM 575 N LEU 76 19.984 22.212 38.488 1.00 0.00 ATOM 576 CA LEU 76 19.912 22.002 39.932 1.00 0.00 ATOM 577 CB LEU 76 19.520 20.600 40.292 1.00 0.00 ATOM 578 CG LEU 76 18.037 20.334 40.045 1.00 0.00 ATOM 579 CD1 LEU 76 17.760 18.860 40.078 1.00 0.00 ATOM 580 CD2 LEU 76 17.189 21.068 41.067 1.00 0.00 ATOM 581 O LEU 76 21.328 22.947 41.628 1.00 0.00 ATOM 582 C LEU 76 21.261 22.288 40.590 1.00 0.00 ATOM 583 N ALA 77 22.304 21.769 39.986 1.00 0.00 ATOM 584 CA ALA 77 23.650 21.975 40.507 1.00 0.00 ATOM 585 CB ALA 77 24.583 21.101 39.681 1.00 0.00 ATOM 586 O ALA 77 24.528 24.008 41.416 1.00 0.00 ATOM 587 C ALA 77 24.032 23.452 40.433 1.00 0.00 ATOM 588 N GLU 78 23.743 24.110 39.281 1.00 0.00 ATOM 589 CA GLU 78 23.990 25.558 39.147 1.00 0.00 ATOM 590 CB GLU 78 23.651 25.976 37.713 1.00 0.00 ATOM 591 CG GLU 78 23.711 27.500 37.531 1.00 0.00 ATOM 592 CD GLU 78 25.137 28.060 37.702 1.00 0.00 ATOM 593 OE1 GLU 78 26.116 27.284 37.644 1.00 0.00 ATOM 594 OE2 GLU 78 25.263 29.291 37.887 1.00 0.00 ATOM 595 O GLU 78 23.658 27.297 40.781 1.00 0.00 ATOM 596 C GLU 78 23.160 26.361 40.151 1.00 0.00 ATOM 597 N ALA 79 21.914 25.956 40.309 1.00 0.00 ATOM 598 CA ALA 79 21.017 26.645 41.230 1.00 0.00 ATOM 599 CB ALA 79 19.605 26.125 41.152 1.00 0.00 ATOM 600 O ALA 79 21.821 27.520 43.359 1.00 0.00 ATOM 601 C ALA 79 21.516 26.511 42.710 1.00 0.00 ATOM 602 N GLU 80 21.777 25.298 43.104 1.00 0.00 ATOM 603 CA GLU 80 22.259 25.067 44.479 1.00 0.00 ATOM 604 CB GLU 80 22.550 23.580 44.679 1.00 0.00 ATOM 605 CG GLU 80 23.027 23.306 46.110 1.00 0.00 ATOM 606 CD GLU 80 23.575 21.877 46.318 1.00 0.00 ATOM 607 OE1 GLU 80 23.732 21.105 45.333 1.00 0.00 ATOM 608 OE2 GLU 80 23.871 21.573 47.492 1.00 0.00 ATOM 609 O GLU 80 23.647 26.464 45.878 1.00 0.00 ATOM 610 C GLU 80 23.506 25.905 44.779 1.00 0.00 ATOM 611 N LYS 81 24.393 25.999 43.812 1.00 0.00 ATOM 612 CA LYS 81 25.601 26.821 43.932 1.00 0.00 ATOM 613 CB LYS 81 26.493 26.748 42.760 1.00 0.00 ATOM 614 CG LYS 81 27.331 25.480 42.786 1.00 0.00 ATOM 615 CD LYS 81 28.193 25.306 41.526 1.00 0.00 ATOM 616 CE LYS 81 28.680 23.832 41.360 1.00 0.00 ATOM 617 NZ LYS 81 29.243 23.550 39.991 1.00 0.00 ATOM 618 O LYS 81 25.868 29.042 44.789 1.00 0.00 ATOM 619 C LYS 81 25.208 28.283 44.088 1.00 0.00 ATOM 620 N THR 82 24.199 28.799 43.378 1.00 0.00 ATOM 621 CA THR 82 23.827 30.190 43.353 1.00 0.00 ATOM 622 CB THR 82 23.970 30.757 42.030 1.00 0.00 ATOM 623 CG2 THR 82 25.485 30.896 41.693 1.00 0.00 ATOM 624 OG1 THR 82 23.403 29.883 41.048 1.00 0.00 ATOM 625 O THR 82 22.196 30.739 45.046 1.00 0.00 ATOM 626 C THR 82 22.391 30.428 43.865 1.00 0.00 ATOM 627 N VAL 83 21.443 30.140 42.996 1.00 0.00 ATOM 628 CA VAL 83 20.028 30.347 43.340 1.00 0.00 ATOM 629 CB VAL 83 19.146 30.505 42.050 1.00 0.00 ATOM 630 CG1 VAL 83 19.639 31.695 41.221 1.00 0.00 ATOM 631 CG2 VAL 83 19.189 29.224 41.230 1.00 0.00 ATOM 632 O VAL 83 19.816 28.109 44.298 1.00 0.00 ATOM 633 C VAL 83 19.471 29.290 44.277 1.00 0.00 ATOM 634 N ASP 84 18.430 29.654 45.128 1.00 0.00 ATOM 635 CA ASP 84 17.800 28.706 46.010 1.00 0.00 ATOM 636 CB ASP 84 16.648 29.347 46.770 1.00 0.00 ATOM 637 CG ASP 84 17.141 30.392 47.754 1.00 0.00 ATOM 638 OD1 ASP 84 18.075 30.102 48.537 1.00 0.00 ATOM 639 OD2 ASP 84 16.587 31.510 47.746 1.00 0.00 ATOM 640 O ASP 84 16.780 27.777 44.020 1.00 0.00 ATOM 641 C ASP 84 17.095 27.602 45.208 1.00 0.00 ATOM 642 N VAL 85 16.840 26.478 45.857 1.00 0.00 ATOM 643 CA VAL 85 16.171 25.348 45.186 1.00 0.00 ATOM 644 CB VAL 85 16.043 24.133 46.099 1.00 0.00 ATOM 645 CG1 VAL 85 15.185 23.054 45.457 1.00 0.00 ATOM 646 CG2 VAL 85 17.430 23.587 46.353 1.00 0.00 ATOM 647 O VAL 85 14.394 25.423 43.588 1.00 0.00 ATOM 648 C VAL 85 14.784 25.748 44.715 1.00 0.00 ATOM 649 N SER 86 14.014 26.444 45.546 1.00 0.00 ATOM 650 CA SER 86 12.668 26.859 45.167 1.00 0.00 ATOM 651 CB SER 86 11.938 27.554 46.309 1.00 0.00 ATOM 652 OG SER 86 11.835 26.694 47.437 1.00 0.00 ATOM 653 O SER 86 11.890 27.652 43.052 1.00 0.00 ATOM 654 C SER 86 12.733 27.774 43.947 1.00 0.00 ATOM 655 N ARG 87 13.693 28.702 43.894 1.00 0.00 ATOM 656 CA ARG 87 13.807 29.620 42.749 1.00 0.00 ATOM 657 CB ARG 87 14.986 30.542 43.007 1.00 0.00 ATOM 658 CG ARG 87 15.054 31.629 41.929 1.00 0.00 ATOM 659 CD ARG 87 16.311 32.456 42.136 1.00 0.00 ATOM 660 NE ARG 87 16.255 33.011 43.493 1.00 0.00 ATOM 661 CZ ARG 87 17.290 33.167 44.318 1.00 0.00 ATOM 662 NH1 ARG 87 18.495 32.773 43.960 1.00 0.00 ATOM 663 NH2 ARG 87 17.155 33.798 45.462 1.00 0.00 ATOM 664 O ARG 87 13.468 29.213 40.435 1.00 0.00 ATOM 665 C ARG 87 14.077 28.885 41.449 1.00 0.00 ATOM 666 N LEU 88 14.954 27.902 41.544 1.00 0.00 ATOM 667 CA LEU 88 15.270 27.079 40.373 1.00 0.00 ATOM 668 CB LEU 88 16.337 26.059 40.706 1.00 0.00 ATOM 669 CG LEU 88 16.704 25.282 39.444 1.00 0.00 ATOM 670 CD1 LEU 88 17.500 26.093 38.421 1.00 0.00 ATOM 671 CD2 LEU 88 17.403 24.029 39.896 1.00 0.00 ATOM 672 O LEU 88 13.857 26.171 38.662 1.00 0.00 ATOM 673 C LEU 88 14.015 26.370 39.866 1.00 0.00 ATOM 674 N ARG 89 13.124 25.965 40.787 1.00 0.00 ATOM 675 CA ARG 89 11.892 25.307 40.368 1.00 0.00 ATOM 676 CB ARG 89 11.105 24.781 41.549 1.00 0.00 ATOM 677 CG ARG 89 11.740 23.592 42.248 1.00 0.00 ATOM 678 CD ARG 89 10.689 22.756 42.972 1.00 0.00 ATOM 679 NE ARG 89 11.296 21.709 43.796 1.00 0.00 ATOM 680 CZ ARG 89 11.832 21.953 44.993 1.00 0.00 ATOM 681 NH1 ARG 89 11.835 23.180 45.505 1.00 0.00 ATOM 682 NH2 ARG 89 12.373 20.971 45.694 1.00 0.00 ATOM 683 O ARG 89 10.541 25.959 38.512 1.00 0.00 ATOM 684 C ARG 89 11.034 26.292 39.580 1.00 0.00 ATOM 685 N ARG 90 10.984 27.551 40.042 1.00 0.00 ATOM 686 CA ARG 90 10.247 28.590 39.332 1.00 0.00 ATOM 687 CB ARG 90 10.121 29.782 40.271 1.00 0.00 ATOM 688 CG ARG 90 9.283 30.847 39.584 1.00 0.00 ATOM 689 CD ARG 90 9.045 32.135 40.351 1.00 0.00 ATOM 690 NE ARG 90 10.312 32.575 40.923 1.00 0.00 ATOM 691 CZ ARG 90 10.397 33.396 41.939 1.00 0.00 ATOM 692 NH1 ARG 90 9.338 33.986 42.463 1.00 0.00 ATOM 693 NH2 ARG 90 11.579 33.632 42.422 1.00 0.00 ATOM 694 O ARG 90 10.245 29.046 36.980 1.00 0.00 ATOM 695 C ARG 90 10.919 28.888 37.997 1.00 0.00 ATOM 696 N LEU 91 12.272 28.909 37.967 1.00 0.00 ATOM 697 CA LEU 91 13.012 29.175 36.742 1.00 0.00 ATOM 698 CB LEU 91 14.480 29.402 37.104 1.00 0.00 ATOM 699 CG LEU 91 15.370 29.740 35.900 1.00 0.00 ATOM 700 CD1 LEU 91 15.017 31.057 35.223 1.00 0.00 ATOM 701 CD2 LEU 91 16.803 29.800 36.406 1.00 0.00 ATOM 702 O LEU 91 12.553 28.283 34.559 1.00 0.00 ATOM 703 C LEU 91 12.812 28.032 35.735 1.00 0.00 ATOM 704 N VAL 92 12.911 26.763 36.182 1.00 0.00 ATOM 705 CA VAL 92 12.704 25.618 35.291 1.00 0.00 ATOM 706 CB VAL 92 13.006 24.286 36.004 1.00 0.00 ATOM 707 CG1 VAL 92 12.702 23.065 35.132 1.00 0.00 ATOM 708 CG2 VAL 92 14.472 24.180 36.428 1.00 0.00 ATOM 709 O VAL 92 11.097 25.284 33.582 1.00 0.00 ATOM 710 C VAL 92 11.276 25.597 34.743 1.00 0.00 ATOM 711 N THR 93 10.307 25.992 35.573 1.00 0.00 ATOM 712 CA THR 93 8.900 26.056 35.154 1.00 0.00 ATOM 713 CB THR 93 8.046 26.380 36.380 1.00 0.00 ATOM 714 CG2 THR 93 6.569 26.361 36.035 1.00 0.00 ATOM 715 OG1 THR 93 8.195 25.302 37.302 1.00 0.00 ATOM 716 O THR 93 7.996 26.851 33.081 1.00 0.00 ATOM 717 C THR 93 8.684 27.107 34.061 1.00 0.00 ATOM 718 N GLN 94 9.261 28.289 34.249 1.00 0.00 ATOM 719 CA GLN 94 9.108 29.352 33.260 1.00 0.00 ATOM 720 CB GLN 94 9.750 30.633 33.778 1.00 0.00 ATOM 721 CG GLN 94 9.618 31.767 32.748 1.00 0.00 ATOM 722 CD GLN 94 8.176 32.171 32.491 1.00 0.00 ATOM 723 OE1 GLN 94 7.299 32.138 33.345 1.00 0.00 ATOM 724 NE2 GLN 94 7.946 32.711 31.330 1.00 0.00 ATOM 725 O GLN 94 9.089 29.112 30.876 1.00 0.00 ATOM 726 C GLN 94 9.709 28.910 31.922 1.00 0.00 ATOM 727 N SER 95 10.908 28.216 32.051 1.00 0.00 ATOM 728 CA SER 95 11.567 27.659 30.854 1.00 0.00 ATOM 729 CB SER 95 13.007 27.242 31.120 1.00 0.00 ATOM 730 OG SER 95 13.101 26.130 31.996 1.00 0.00 ATOM 731 O SER 95 11.175 25.958 29.221 1.00 0.00 ATOM 732 C SER 95 10.813 26.460 30.274 1.00 0.00 ATOM 733 N THR 96 9.859 25.917 31.003 1.00 0.00 ATOM 734 CA THR 96 9.038 24.787 30.527 1.00 0.00 ATOM 735 CB THR 96 8.117 24.271 31.635 1.00 0.00 ATOM 736 CG2 THR 96 7.229 23.110 31.196 1.00 0.00 ATOM 737 OG1 THR 96 8.895 23.817 32.744 1.00 0.00 ATOM 738 O THR 96 7.524 26.245 29.383 1.00 0.00 ATOM 739 C THR 96 8.179 25.210 29.342 1.00 0.00 ATOM 740 N PRO 97 8.184 24.426 28.229 1.00 0.00 ATOM 741 CA PRO 97 7.380 24.777 27.057 1.00 0.00 ATOM 742 CB PRO 97 7.512 23.544 26.170 1.00 0.00 ATOM 743 CG PRO 97 8.908 23.092 26.455 1.00 0.00 ATOM 744 CD PRO 97 8.988 23.220 27.973 1.00 0.00 ATOM 745 O PRO 97 5.609 24.834 28.681 1.00 0.00 ATOM 746 C PRO 97 5.897 24.965 27.469 1.00 0.00 TER END