PFRMAT TS TARGET T0387 AUTHOR 4008-1775-0004 METHOD The SAM-T08 hand predictions use methods similar to SAM_T06 in CASP7. METHOD METHOD We start with a fully automated method (implemented as the SAM-T08-server): METHOD METHOD Use the SAM-T2K, SAM-T04, and SAM-T06 methods for finding homologs METHOD of the target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. These neural nets have been newly trained METHOD for CASP8 with an improved training protocol. The neural nets for METHOD the 3 different multiple sequence alignments are independently METHOD trained, so combining them should offer improved performance. METHOD METHOD We currently use 15 local-structure alphabets: METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD STR4 an attempt at an alphabet like STR2, but not requiring DSSP. METHOD This alphabet may be trying to make some irrelevant METHOD distinctions as well. METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD PB de Brevern's protein blocks METHOD METHOD N_NOTOR METHOD N_NOTOR2 METHOD O_NOTOR METHOD O_NOTOR2 alphabets based on the torsion angle of METHOD backbone hydrogen bonds METHOD METHOD N_SEP METHOD O_SEP alphabets based on the separation of donor and METHOD acceptor for backbone hydrogen bonds METHOD METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet with the amino-acid track METHOD having a weight of 1 and the local structure track having a weight METHOD of 0.1 (for backbone alphabets) or 0.3 (for burial alphabets). METHOD We use these HMMs to score a template library of about METHOD 14000 (t06), 16000 (t04), or 18000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. The target HMMs are used to score consensus METHOD sequences for the templates, to get a cheap approximation of METHOD profile-profile scoring, which does not yet work in the SAM package. METHOD METHOD We also used single-track HMMs to score not just the template METHOD library, but a non-redundant copy of the entire PDB. This scoring METHOD is done with real sequences, not consensus sequences. METHOD METHOD All the target HMMs use a new calibration method the provides more METHOD accurate E-values than before, and can be used even with METHOD local-structure alphabets that used to give us trouble (such as METHOD protein blocks). METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. Later this summer, we METHOD hope to be able to use multi-track template HMMs, but we have not METHOD had time to calibrate such models while keeping the code METHOD compatible with the old libraries, so the template libraries METHOD currently use old calibrations, with somewhat optimistic E-values. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment settings on the SAM alignment software. METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. Two different neural net METHOD methods were used, and the results submitted separately. METHOD METHOD CB-CB constraints were extracted from the alignments and a METHOD combinatorial optimization done to choose a most-believable METHOD subset. METHOD METHOD Then the "undertaker" program (named because it originally METHOD optimized burial) is used to try to combine the alignments and the METHOD fragments into a consistent 3D model. No single alignment or METHOD parent template was used as a frozen core, though in many cases METHOD one had much more influence than the others. The alignment scores METHOD were not used by undertaker, but were used only to pick the set METHOD of alignments and fragments that undertaker would see. METHOD METHOD The cost functions used by undertaker rely heavily on the METHOD alignment constraints, on helix and strand constraints generated METHOD from the secondary-structure predictions, and on the neural-net METHOD predictions of local properties that undertaker can measure. METHOD The residue-residue contact predictions are also given to METHOD undertaker, but have less weight. There are also a number of METHOD built-in cost functions (breaks, clashes, burial, ...) that are METHOD included in the cost function. METHOD METHOD The automatic script runs the undertaker-optimized model through METHOD gromacs (to fix small clashes and breaks) and repacks the METHOD sidechains using Rosetta, but these post-undertaker optimizations METHOD are not included in the server predictions. They can be used in METHOD subsequent re-optimization. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD We often do "polishing" runs, where all the current models are read in METHOD and optimization with undertaker's genetic algorithm is done with high METHOD crossover. METHOD METHOD Some improvements in undertaker include better communication with METHOD SCWRL for initial model building form alignments (now using the METHOD standard protocol that identical residues have fixed rotamers, rather METHOD than being reoptimized by SCWRL), more cost functions based on the METHOD neural net predictions, multiple constraint sets (for easier METHOD weighting of the importance of different constraints), and some new METHOD conformation-change operators (Backrub and BigBackrub). METHOD METHOD We also created model-quality-assessment methods for CASP8, which we METHOD are applying to the server predictions. We do two optimizations from the METHOD top 10 models with two of the MQA methods, and consider these models METHOD as possible alternatives to our natively-generated models. METHOD METHOD METHOD For T0387, all the core models were essentially indistinguisable, so METHOD the interesting task is to figure out how the C-terminal tail lies in METHOD the multimer. METHOD METHOD We were not certain whether this was a pair of dimers or a cyclic METHOD tetramer, but the dimers we constructed from existing templates had METHOD bad buried charges, so we believe it is a cyclic tetramer. We were METHOD unable to build a convincing tetramer, due to lack of appropriate METHOD tools and lack of time. Thus we are simply submitting monomers, METHOD knowing that the C-terminal tail is wrong. METHOD METHOD Model METHOD 1 T0387.MQAU1-opt3.pdb a metaserver model METHOD 2 T0387.try3-opt3.pdb a native SAM/undertaker model METHOD 3 T0387.MQAC1-opt3.pdb a metaserver model (from consensus scoring) METHOD 4 alignment T0387-1g9oA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m METHOD 5 alignment T0387-2ozfA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m METHOD REMARK 6 REMARK 6 T0387 model 4 Sat May 24 18:34:58 2008 MODEL 4 PARENT 2eej_A 2ocs_A 1i92_A 1gq4_A 1g9o_A REMARK 7 REMARK 7 ALLPARENTS 2eej_A 2ocs_A 1i92_A 1gq4_A 1g9o_A 1gq5_A ATOM 1 N SER 1 3.868 3.777 1.667 1.00 0.00 ATOM 2 CA SER 1 2.396 3.793 1.902 1.00 0.00 ATOM 3 CB SER 1 1.954 2.513 2.612 1.00 0.00 ATOM 4 OG SER 1 2.512 2.431 3.912 1.00 0.00 ATOM 5 O SER 1 2.398 6.105 2.524 1.00 0.00 ATOM 6 C SER 1 1.984 4.970 2.761 1.00 0.00 ATOM 7 N MET 2 1.155 4.709 3.763 1.00 0.00 ATOM 8 CA MET 2 0.730 5.781 4.632 1.00 0.00 ATOM 9 CB MET 2 -0.703 6.194 4.293 1.00 0.00 ATOM 10 CG MET 2 -0.800 6.822 2.897 1.00 0.00 ATOM 11 SD MET 2 -2.418 7.473 2.513 1.00 0.00 ATOM 12 CE MET 2 -2.387 9.009 3.387 1.00 0.00 ATOM 13 O MET 2 0.906 4.250 6.478 1.00 0.00 ATOM 14 C MET 2 0.882 5.420 6.098 1.00 0.00 ATOM 15 N LYS 3 0.993 6.454 6.914 1.00 0.00 ATOM 16 CA LYS 3 1.185 6.296 8.346 1.00 0.00 ATOM 17 CB LYS 3 1.456 7.650 9.003 1.00 0.00 ATOM 18 CG LYS 3 2.780 8.280 8.603 1.00 0.00 ATOM 19 CD LYS 3 3.000 9.604 9.317 1.00 0.00 ATOM 20 CE LYS 3 4.325 10.233 8.918 1.00 0.00 ATOM 21 NZ LYS 3 4.559 11.527 9.618 1.00 0.00 ATOM 22 O LYS 3 -1.140 5.817 8.649 1.00 0.00 ATOM 23 C LYS 3 0.006 5.699 9.085 1.00 0.00 ATOM 24 N PRO 4 0.277 5.018 10.210 1.00 0.00 ATOM 25 CA PRO 4 -0.802 4.442 11.008 1.00 0.00 ATOM 26 CB PRO 4 -0.062 3.734 12.136 1.00 0.00 ATOM 27 CG PRO 4 1.230 3.320 11.487 1.00 0.00 ATOM 28 CD PRO 4 1.594 4.535 10.664 1.00 0.00 ATOM 29 O PRO 4 -1.016 6.751 11.655 1.00 0.00 ATOM 30 C PRO 4 -1.580 5.664 11.504 1.00 0.00 ATOM 31 N LYS 5 -2.863 5.469 11.790 1.00 0.00 ATOM 32 CA LYS 5 -3.762 6.541 12.183 1.00 0.00 ATOM 33 CB LYS 5 -4.777 6.821 11.073 1.00 0.00 ATOM 34 CG LYS 5 -4.164 7.371 9.794 1.00 0.00 ATOM 35 CD LYS 5 -5.230 7.668 8.754 1.00 0.00 ATOM 36 CE LYS 5 -4.612 8.148 7.451 1.00 0.00 ATOM 37 NZ LYS 5 -5.646 8.441 6.420 1.00 0.00 ATOM 38 O LYS 5 -4.942 5.026 13.590 1.00 0.00 ATOM 39 C LYS 5 -4.524 6.169 13.445 1.00 0.00 ATOM 40 N LEU 6 -4.702 7.124 14.350 1.00 0.00 ATOM 41 CA LEU 6 -5.437 6.864 15.587 1.00 0.00 ATOM 42 CB LEU 6 -4.784 7.614 16.757 1.00 0.00 ATOM 43 CG LEU 6 -5.286 7.211 18.146 1.00 0.00 ATOM 44 CD1 LEU 6 -4.914 5.760 18.400 1.00 0.00 ATOM 45 CD2 LEU 6 -4.687 8.124 19.211 1.00 0.00 ATOM 46 O LEU 6 -7.177 8.432 15.083 1.00 0.00 ATOM 47 C LEU 6 -6.890 7.297 15.467 1.00 0.00 ATOM 48 N CYS 7 -7.803 6.385 15.792 1.00 0.00 ATOM 49 CA CYS 7 -9.240 6.652 15.763 1.00 0.00 ATOM 50 CB CYS 7 -9.965 5.627 14.888 1.00 0.00 ATOM 51 SG CYS 7 -9.562 5.772 13.135 1.00 0.00 ATOM 52 O CYS 7 -9.559 5.482 17.828 1.00 0.00 ATOM 53 C CYS 7 -9.738 6.526 17.196 1.00 0.00 ATOM 54 N ARG 8 -10.361 7.577 17.713 1.00 0.00 ATOM 55 CA ARG 8 -10.850 7.563 19.085 1.00 0.00 ATOM 56 CB ARG 8 -10.412 8.829 19.824 1.00 0.00 ATOM 57 CG ARG 8 -8.906 8.969 19.975 1.00 0.00 ATOM 58 CD ARG 8 -8.538 10.281 20.646 1.00 0.00 ATOM 59 NE ARG 8 -7.094 10.423 20.817 1.00 0.00 ATOM 60 CZ ARG 8 -6.514 11.418 21.479 1.00 0.00 ATOM 61 NH1 ARG 8 -5.193 11.465 21.584 1.00 0.00 ATOM 62 NH2 ARG 8 -7.257 12.367 22.035 1.00 0.00 ATOM 63 O ARG 8 -13.056 8.468 18.785 1.00 0.00 ATOM 64 C ARG 8 -12.372 7.496 19.103 1.00 0.00 ATOM 65 N LEU 9 -12.897 6.333 19.470 1.00 0.00 ATOM 66 CA LEU 9 -14.341 6.111 19.475 1.00 0.00 ATOM 67 CB LEU 9 -14.649 4.697 18.972 1.00 0.00 ATOM 68 CG LEU 9 -14.417 4.251 17.522 1.00 0.00 ATOM 69 CD1 LEU 9 -12.926 4.291 17.176 1.00 0.00 ATOM 70 CD2 LEU 9 -14.931 2.818 17.373 1.00 0.00 ATOM 71 O LEU 9 -14.480 5.818 21.849 1.00 0.00 ATOM 72 C LEU 9 -15.009 6.272 20.834 1.00 0.00 ATOM 73 N ALA 10 -16.174 6.912 20.849 1.00 0.00 ATOM 74 CA ALA 10 -16.963 7.085 22.071 1.00 0.00 ATOM 75 CB ALA 10 -17.494 8.507 22.162 1.00 0.00 ATOM 76 O ALA 10 -18.896 6.158 21.018 1.00 0.00 ATOM 77 C ALA 10 -18.101 6.075 21.951 1.00 0.00 ATOM 78 N LYS 11 -18.199 5.131 22.887 1.00 0.00 ATOM 79 CA LYS 11 -19.245 4.114 22.773 1.00 0.00 ATOM 80 CB LYS 11 -19.128 3.084 23.899 1.00 0.00 ATOM 81 CG LYS 11 -19.873 1.784 23.584 1.00 0.00 ATOM 82 CD LYS 11 -19.704 0.750 24.691 1.00 0.00 ATOM 83 CE LYS 11 -20.442 -0.540 24.330 1.00 0.00 ATOM 84 NZ LYS 11 -20.361 -1.548 25.417 1.00 0.00 ATOM 85 O LYS 11 -20.955 5.626 23.532 1.00 0.00 ATOM 86 C LYS 11 -20.640 4.723 22.748 1.00 0.00 ATOM 87 N GLY 12 -21.467 4.210 21.841 1.00 0.00 ATOM 88 CA GLY 12 -22.816 4.716 21.658 1.00 0.00 ATOM 89 O GLY 12 -23.683 2.806 22.794 1.00 0.00 ATOM 90 C GLY 12 -23.938 3.838 22.178 1.00 0.00 ATOM 91 N GLU 13 -25.203 4.217 21.904 1.00 0.00 ATOM 92 CA GLU 13 -26.369 3.463 22.364 1.00 0.00 ATOM 93 CB GLU 13 -27.642 3.980 21.691 1.00 0.00 ATOM 94 CG GLU 13 -28.922 3.359 22.225 1.00 0.00 ATOM 95 CD GLU 13 -30.166 3.965 21.604 1.00 0.00 ATOM 96 OE1 GLU 13 -30.025 4.847 20.733 1.00 0.00 ATOM 97 OE2 GLU 13 -31.281 3.555 21.990 1.00 0.00 ATOM 98 O GLU 13 -26.879 1.206 22.924 1.00 0.00 ATOM 99 C GLU 13 -26.366 1.969 22.104 1.00 0.00 ATOM 100 N ASN 14 -25.797 1.542 20.981 1.00 0.00 ATOM 101 CA ASN 14 -25.753 0.122 20.666 1.00 0.00 ATOM 102 CB ASN 14 -26.501 -0.156 19.362 1.00 0.00 ATOM 103 CG ASN 14 -28.001 0.069 19.484 1.00 0.00 ATOM 104 ND2 ASN 14 -28.495 0.139 20.716 1.00 0.00 ATOM 105 OD1 ASN 14 -28.709 0.173 18.478 1.00 0.00 ATOM 106 O ASN 14 -24.124 -1.525 20.071 1.00 0.00 ATOM 107 C ASN 14 -24.333 -0.417 20.562 1.00 0.00 ATOM 108 N GLY 15 -23.357 0.349 21.034 1.00 0.00 ATOM 109 CA GLY 15 -21.980 -0.114 20.967 1.00 0.00 ATOM 110 O GLY 15 -21.423 1.947 19.884 1.00 0.00 ATOM 111 C GLY 15 -21.115 0.773 20.090 1.00 0.00 ATOM 112 N TYR 16 -20.033 0.203 19.574 1.00 0.00 ATOM 113 CA TYR 16 -19.118 0.941 18.703 1.00 0.00 ATOM 114 CB TYR 16 -17.684 0.431 18.892 1.00 0.00 ATOM 115 CG TYR 16 -17.116 0.780 20.242 1.00 0.00 ATOM 116 CD1 TYR 16 -16.918 2.109 20.607 1.00 0.00 ATOM 117 CD2 TYR 16 -16.780 -0.215 21.148 1.00 0.00 ATOM 118 CE1 TYR 16 -16.392 2.443 21.849 1.00 0.00 ATOM 119 CE2 TYR 16 -16.250 0.108 22.403 1.00 0.00 ATOM 120 CZ TYR 16 -16.065 1.439 22.736 1.00 0.00 ATOM 121 OH TYR 16 -15.553 1.798 23.962 1.00 0.00 ATOM 122 O TYR 16 -19.206 1.732 16.447 1.00 0.00 ATOM 123 C TYR 16 -19.530 0.857 17.239 1.00 0.00 ATOM 124 N GLY 17 -20.214 -0.208 16.868 1.00 0.00 ATOM 125 CA GLY 17 -20.703 -0.287 15.507 1.00 0.00 ATOM 126 O GLY 17 -19.916 -0.194 13.272 1.00 0.00 ATOM 127 C GLY 17 -19.790 -0.708 14.384 1.00 0.00 ATOM 128 N PHE 18 -18.854 -1.606 14.649 1.00 0.00 ATOM 129 CA PHE 18 -18.035 -2.114 13.565 1.00 0.00 ATOM 130 CB PHE 18 -16.686 -1.365 13.448 1.00 0.00 ATOM 131 CG PHE 18 -15.774 -1.549 14.604 1.00 0.00 ATOM 132 CD1 PHE 18 -15.948 -0.821 15.771 1.00 0.00 ATOM 133 CD2 PHE 18 -14.724 -2.449 14.530 1.00 0.00 ATOM 134 CE1 PHE 18 -15.077 -0.987 16.852 1.00 0.00 ATOM 135 CE2 PHE 18 -13.852 -2.622 15.609 1.00 0.00 ATOM 136 CZ PHE 18 -14.030 -1.889 16.765 1.00 0.00 ATOM 137 O PHE 18 -18.256 -4.159 14.792 1.00 0.00 ATOM 138 C PHE 18 -17.858 -3.608 13.756 1.00 0.00 ATOM 139 N HIS 19 -17.276 -4.257 12.752 1.00 0.00 ATOM 140 CA HIS 19 -17.075 -5.695 12.746 1.00 0.00 ATOM 141 CB HIS 19 -18.047 -6.321 11.749 1.00 0.00 ATOM 142 CG HIS 19 -19.470 -5.996 12.048 1.00 0.00 ATOM 143 CD2 HIS 19 -20.255 -4.966 11.651 1.00 0.00 ATOM 144 ND1 HIS 19 -20.212 -6.717 12.957 1.00 0.00 ATOM 145 CE1 HIS 19 -21.390 -6.139 13.114 1.00 0.00 ATOM 146 NE2 HIS 19 -21.442 -5.076 12.334 1.00 0.00 ATOM 147 O HIS 19 -15.066 -5.373 11.495 1.00 0.00 ATOM 148 C HIS 19 -15.652 -6.043 12.356 1.00 0.00 ATOM 149 N LEU 20 -15.125 -7.095 12.988 1.00 0.00 ATOM 150 CA LEU 20 -13.767 -7.556 12.735 1.00 0.00 ATOM 151 CB LEU 20 -12.963 -7.569 14.031 1.00 0.00 ATOM 152 CG LEU 20 -12.649 -6.233 14.678 1.00 0.00 ATOM 153 CD1 LEU 20 -11.987 -6.484 16.026 1.00 0.00 ATOM 154 CD2 LEU 20 -11.759 -5.416 13.766 1.00 0.00 ATOM 155 O LEU 20 -14.565 -9.794 12.411 1.00 0.00 ATOM 156 C LEU 20 -13.697 -8.960 12.166 1.00 0.00 ATOM 157 N ASN 21 -12.644 -9.210 11.403 1.00 0.00 ATOM 158 CA ASN 21 -12.392 -10.536 10.872 1.00 0.00 ATOM 159 CB ASN 21 -13.313 -10.822 9.684 1.00 0.00 ATOM 160 CG ASN 21 -12.926 -10.036 8.446 1.00 0.00 ATOM 161 ND2 ASN 21 -13.741 -10.141 7.404 1.00 0.00 ATOM 162 OD1 ASN 21 -11.908 -9.346 8.431 1.00 0.00 ATOM 163 O ASN 21 -10.291 -9.540 10.334 1.00 0.00 ATOM 164 C ASN 21 -10.946 -10.576 10.431 1.00 0.00 ATOM 165 N ALA 22 -10.434 -11.777 10.206 1.00 0.00 ATOM 166 CA ALA 22 -9.059 -11.906 9.763 1.00 0.00 ATOM 167 CB ALA 22 -8.500 -13.265 10.155 1.00 0.00 ATOM 168 O ALA 22 -10.076 -11.560 7.628 1.00 0.00 ATOM 169 C ALA 22 -9.035 -11.759 8.253 1.00 0.00 ATOM 170 N ILE 23 -7.848 -11.829 7.662 1.00 0.00 ATOM 171 CA ILE 23 -7.739 -11.730 6.217 1.00 0.00 ATOM 172 CB ILE 23 -7.087 -10.401 5.790 1.00 0.00 ATOM 173 CG1 ILE 23 -7.083 -10.274 4.265 1.00 0.00 ATOM 174 CG2 ILE 23 -5.650 -10.331 6.282 1.00 0.00 ATOM 175 CD1 ILE 23 -6.733 -8.889 3.768 1.00 0.00 ATOM 176 O ILE 23 -6.021 -13.387 6.399 1.00 0.00 ATOM 177 C ILE 23 -6.890 -12.869 5.692 1.00 0.00 ATOM 178 N ARG 24 -7.162 -13.253 4.451 1.00 0.00 ATOM 179 CA ARG 24 -6.451 -14.343 3.802 1.00 0.00 ATOM 180 CB ARG 24 -6.970 -14.546 2.376 1.00 0.00 ATOM 181 CG ARG 24 -6.385 -15.759 1.671 1.00 0.00 ATOM 182 CD ARG 24 -6.970 -15.921 0.278 1.00 0.00 ATOM 183 NE ARG 24 -8.409 -16.178 0.313 1.00 0.00 ATOM 184 CZ ARG 24 -8.950 -17.372 0.530 1.00 0.00 ATOM 185 NH1 ARG 24 -10.268 -17.508 0.545 1.00 0.00 ATOM 186 NH2 ARG 24 -8.171 -18.425 0.730 1.00 0.00 ATOM 187 O ARG 24 -4.533 -13.036 3.196 1.00 0.00 ATOM 188 C ARG 24 -4.955 -14.070 3.719 1.00 0.00 ATOM 189 N GLY 25 -4.164 -14.996 4.256 1.00 0.00 ATOM 190 CA GLY 25 -2.718 -14.858 4.238 1.00 0.00 ATOM 191 O GLY 25 -0.917 -13.751 5.354 1.00 0.00 ATOM 192 C GLY 25 -2.137 -13.935 5.294 1.00 0.00 ATOM 193 N LEU 26 -2.990 -13.367 6.142 1.00 0.00 ATOM 194 CA LEU 26 -2.526 -12.442 7.174 1.00 0.00 ATOM 195 CB LEU 26 -3.230 -11.091 7.040 1.00 0.00 ATOM 196 CG LEU 26 -2.655 -10.128 6.001 1.00 0.00 ATOM 197 CD1 LEU 26 -2.802 -10.697 4.598 1.00 0.00 ATOM 198 CD2 LEU 26 -3.379 -8.791 6.048 1.00 0.00 ATOM 199 O LEU 26 -3.641 -13.728 8.880 1.00 0.00 ATOM 200 C LEU 26 -2.765 -12.900 8.612 1.00 0.00 ATOM 201 N PRO 27 -1.985 -12.344 9.536 1.00 0.00 ATOM 202 CA PRO 27 -2.072 -12.695 10.953 1.00 0.00 ATOM 203 CB PRO 27 -0.673 -12.396 11.495 1.00 0.00 ATOM 204 CG PRO 27 -0.148 -11.320 10.603 1.00 0.00 ATOM 205 CD PRO 27 -0.709 -11.603 9.237 1.00 0.00 ATOM 206 O PRO 27 -3.726 -12.518 12.678 1.00 0.00 ATOM 207 C PRO 27 -3.098 -11.936 11.786 1.00 0.00 ATOM 208 N GLY 28 -3.268 -10.647 11.502 1.00 0.00 ATOM 209 CA GLY 28 -4.172 -9.836 12.301 1.00 0.00 ATOM 210 O GLY 28 -6.180 -10.367 11.064 1.00 0.00 ATOM 211 C GLY 28 -5.635 -9.683 11.935 1.00 0.00 ATOM 212 N SER 29 -6.268 -8.745 12.632 1.00 0.00 ATOM 213 CA SER 29 -7.679 -8.453 12.437 1.00 0.00 ATOM 214 CB SER 29 -8.377 -8.256 13.785 1.00 0.00 ATOM 215 OG SER 29 -9.727 -7.865 13.607 1.00 0.00 ATOM 216 O SER 29 -7.144 -6.218 11.764 1.00 0.00 ATOM 217 C SER 29 -7.883 -7.187 11.617 1.00 0.00 ATOM 218 N PHE 30 -8.909 -7.217 10.766 1.00 0.00 ATOM 219 CA PHE 30 -9.248 -6.110 9.879 1.00 0.00 ATOM 220 CB PHE 30 -8.992 -6.495 8.420 1.00 0.00 ATOM 221 CG PHE 30 -7.561 -6.847 8.129 1.00 0.00 ATOM 222 CD1 PHE 30 -7.130 -8.160 8.187 1.00 0.00 ATOM 223 CD2 PHE 30 -6.646 -5.862 7.797 1.00 0.00 ATOM 224 CE1 PHE 30 -5.814 -8.483 7.917 1.00 0.00 ATOM 225 CE2 PHE 30 -5.329 -6.185 7.529 1.00 0.00 ATOM 226 CZ PHE 30 -4.912 -7.489 7.588 1.00 0.00 ATOM 227 O PHE 30 -11.529 -6.573 10.454 1.00 0.00 ATOM 228 C PHE 30 -10.709 -5.749 10.034 1.00 0.00 ATOM 229 N ILE 31 -11.045 -4.510 9.701 1.00 0.00 ATOM 230 CA ILE 31 -12.431 -4.065 9.800 1.00 0.00 ATOM 231 CB ILE 31 -12.514 -2.529 9.866 1.00 0.00 ATOM 232 CG1 ILE 31 -11.724 -2.040 11.086 1.00 0.00 ATOM 233 CG2 ILE 31 -13.975 -2.094 9.986 1.00 0.00 ATOM 234 CD1 ILE 31 -11.935 -0.586 11.424 1.00 0.00 ATOM 235 O ILE 31 -12.945 -4.242 7.457 1.00 0.00 ATOM 236 C ILE 31 -13.217 -4.584 8.605 1.00 0.00 ATOM 237 N LYS 32 -14.182 -5.445 8.887 1.00 0.00 ATOM 238 CA LYS 32 -15.013 -6.030 7.844 1.00 0.00 ATOM 239 CB LYS 32 -15.721 -7.283 8.362 1.00 0.00 ATOM 240 CG LYS 32 -16.555 -8.005 7.316 1.00 0.00 ATOM 241 CD LYS 32 -17.084 -9.326 7.848 1.00 0.00 ATOM 242 CE LYS 32 -17.914 -10.049 6.799 1.00 0.00 ATOM 243 NZ LYS 32 -18.400 -11.369 7.288 1.00 0.00 ATOM 244 O LYS 32 -16.410 -5.047 6.148 1.00 0.00 ATOM 245 C LYS 32 -16.096 -5.072 7.342 1.00 0.00 ATOM 246 N GLU 33 -16.667 -4.288 8.253 1.00 0.00 ATOM 247 CA GLU 33 -17.744 -3.373 7.924 1.00 0.00 ATOM 248 CB GLU 33 -19.060 -4.136 7.752 1.00 0.00 ATOM 249 CG GLU 33 -20.231 -3.266 7.330 1.00 0.00 ATOM 250 CD GLU 33 -21.514 -4.057 7.158 1.00 0.00 ATOM 251 OE1 GLU 33 -21.488 -5.285 7.385 1.00 0.00 ATOM 252 OE2 GLU 33 -22.543 -3.449 6.795 1.00 0.00 ATOM 253 O GLU 33 -17.766 -2.693 10.219 1.00 0.00 ATOM 254 C GLU 33 -17.911 -2.357 9.039 1.00 0.00 ATOM 255 N VAL 34 -18.178 -1.110 8.654 1.00 0.00 ATOM 256 CA VAL 34 -18.442 -0.037 9.607 1.00 0.00 ATOM 257 CB VAL 34 -17.598 1.221 9.301 1.00 0.00 ATOM 258 CG1 VAL 34 -18.051 2.374 10.210 1.00 0.00 ATOM 259 CG2 VAL 34 -16.108 0.912 9.529 1.00 0.00 ATOM 260 O VAL 34 -20.412 0.572 8.346 1.00 0.00 ATOM 261 C VAL 34 -19.933 0.289 9.448 1.00 0.00 ATOM 262 N GLN 35 -20.688 0.232 10.533 1.00 0.00 ATOM 263 CA GLN 35 -22.115 0.515 10.432 1.00 0.00 ATOM 264 CB GLN 35 -22.852 0.002 11.672 1.00 0.00 ATOM 265 CG GLN 35 -24.355 0.224 11.637 1.00 0.00 ATOM 266 CD GLN 35 -25.066 -0.408 12.817 1.00 0.00 ATOM 267 OE1 GLN 35 -24.439 -1.054 13.657 1.00 0.00 ATOM 268 NE2 GLN 35 -26.378 -0.222 12.885 1.00 0.00 ATOM 269 O GLN 35 -21.816 2.820 11.040 1.00 0.00 ATOM 270 C GLN 35 -22.389 2.005 10.314 1.00 0.00 ATOM 271 N LYS 36 -23.251 2.393 9.361 1.00 0.00 ATOM 272 CA LYS 36 -23.583 3.805 9.181 1.00 0.00 ATOM 273 CB LYS 36 -24.652 3.971 8.098 1.00 0.00 ATOM 274 CG LYS 36 -25.001 5.418 7.788 1.00 0.00 ATOM 275 CD LYS 36 -26.017 5.510 6.662 1.00 0.00 ATOM 276 CE LYS 36 -26.347 6.957 6.333 1.00 0.00 ATOM 277 NZ LYS 36 -27.361 7.063 5.248 1.00 0.00 ATOM 278 O LYS 36 -24.911 3.797 11.165 1.00 0.00 ATOM 279 C LYS 36 -24.118 4.421 10.467 1.00 0.00 ATOM 280 N GLY 37 -23.676 5.649 10.749 1.00 0.00 ATOM 281 CA GLY 37 -24.091 6.389 11.928 1.00 0.00 ATOM 282 O GLY 37 -23.683 6.604 14.273 1.00 0.00 ATOM 283 C GLY 37 -23.431 5.994 13.235 1.00 0.00 ATOM 284 N GLY 38 -22.560 4.997 13.180 1.00 0.00 ATOM 285 CA GLY 38 -21.900 4.483 14.374 1.00 0.00 ATOM 286 O GLY 38 -20.241 6.192 14.241 1.00 0.00 ATOM 287 C GLY 38 -20.756 5.310 14.913 1.00 0.00 ATOM 288 N PRO 39 -20.368 5.046 16.166 1.00 0.00 ATOM 289 CA PRO 39 -19.238 5.782 16.738 1.00 0.00 ATOM 290 CB PRO 39 -19.120 5.189 18.139 1.00 0.00 ATOM 291 CG PRO 39 -20.562 4.944 18.505 1.00 0.00 ATOM 292 CD PRO 39 -21.150 4.360 17.218 1.00 0.00 ATOM 293 O PRO 39 -17.117 6.330 15.726 1.00 0.00 ATOM 294 C PRO 39 -17.999 5.489 15.874 1.00 0.00 ATOM 295 N ALA 40 -17.935 4.294 15.305 1.00 0.00 ATOM 296 CA ALA 40 -16.816 3.926 14.439 1.00 0.00 ATOM 297 CB ALA 40 -16.945 2.467 13.993 1.00 0.00 ATOM 298 O ALA 40 -15.717 5.323 12.831 1.00 0.00 ATOM 299 C ALA 40 -16.785 4.848 13.227 1.00 0.00 ATOM 300 N ASP 41 -17.944 5.098 12.622 1.00 0.00 ATOM 301 CA ASP 41 -17.968 5.996 11.469 1.00 0.00 ATOM 302 CB ASP 41 -19.367 6.040 10.853 1.00 0.00 ATOM 303 CG ASP 41 -19.419 6.861 9.580 1.00 0.00 ATOM 304 OD1 ASP 41 -18.728 6.496 8.608 1.00 0.00 ATOM 305 OD2 ASP 41 -20.150 7.874 9.556 1.00 0.00 ATOM 306 O ASP 41 -16.787 8.070 11.210 1.00 0.00 ATOM 307 C ASP 41 -17.579 7.419 11.890 1.00 0.00 ATOM 308 N LEU 42 -18.105 7.880 13.024 1.00 0.00 ATOM 309 CA LEU 42 -17.816 9.231 13.517 1.00 0.00 ATOM 310 CB LEU 42 -18.588 9.507 14.808 1.00 0.00 ATOM 311 CG LEU 42 -20.107 9.625 14.679 1.00 0.00 ATOM 312 CD1 LEU 42 -20.759 9.731 16.049 1.00 0.00 ATOM 313 CD2 LEU 42 -20.484 10.862 13.877 1.00 0.00 ATOM 314 O LEU 42 -15.832 10.570 13.732 1.00 0.00 ATOM 315 C LEU 42 -16.335 9.440 13.819 1.00 0.00 ATOM 316 N ALA 43 -15.643 8.361 14.176 1.00 0.00 ATOM 317 CA ALA 43 -14.219 8.435 14.488 1.00 0.00 ATOM 318 CB ALA 43 -13.856 7.415 15.560 1.00 0.00 ATOM 319 O ALA 43 -12.111 8.231 13.384 1.00 0.00 ATOM 320 C ALA 43 -13.337 8.224 13.263 1.00 0.00 ATOM 321 N GLY 44 -13.952 8.005 12.104 1.00 0.00 ATOM 322 CA GLY 44 -13.180 7.832 10.881 1.00 0.00 ATOM 323 O GLY 44 -11.831 6.288 9.657 1.00 0.00 ATOM 324 C GLY 44 -12.701 6.445 10.519 1.00 0.00 ATOM 325 N LEU 45 -13.256 5.419 11.151 1.00 0.00 ATOM 326 CA LEU 45 -12.840 4.060 10.812 1.00 0.00 ATOM 327 CB LEU 45 -13.384 3.057 11.824 1.00 0.00 ATOM 328 CG LEU 45 -12.711 3.029 13.188 1.00 0.00 ATOM 329 CD1 LEU 45 -13.406 1.992 14.059 1.00 0.00 ATOM 330 CD2 LEU 45 -11.232 2.698 13.026 1.00 0.00 ATOM 331 O LEU 45 -14.481 4.144 9.054 1.00 0.00 ATOM 332 C LEU 45 -13.393 3.704 9.427 1.00 0.00 ATOM 333 N GLU 46 -12.640 2.896 8.689 1.00 0.00 ATOM 334 CA GLU 46 -13.037 2.447 7.355 1.00 0.00 ATOM 335 CB GLU 46 -12.147 3.088 6.288 1.00 0.00 ATOM 336 CG GLU 46 -12.270 4.600 6.202 1.00 0.00 ATOM 337 CD GLU 46 -11.383 5.197 5.127 1.00 0.00 ATOM 338 OE1 GLU 46 -10.635 4.432 4.484 1.00 0.00 ATOM 339 OE2 GLU 46 -11.438 6.427 4.928 1.00 0.00 ATOM 340 O GLU 46 -12.068 0.290 7.764 1.00 0.00 ATOM 341 C GLU 46 -12.933 0.934 7.179 1.00 0.00 ATOM 342 N ASP 47 -13.814 0.366 6.356 1.00 0.00 ATOM 343 CA ASP 47 -13.739 -1.057 6.063 1.00 0.00 ATOM 344 CB ASP 47 -14.873 -1.472 5.123 1.00 0.00 ATOM 345 CG ASP 47 -16.222 -1.498 5.814 1.00 0.00 ATOM 346 OD1 ASP 47 -16.254 -1.387 7.058 1.00 0.00 ATOM 347 OD2 ASP 47 -17.247 -1.628 5.112 1.00 0.00 ATOM 348 O ASP 47 -11.923 -0.456 4.588 1.00 0.00 ATOM 349 C ASP 47 -12.381 -1.283 5.402 1.00 0.00 ATOM 350 N GLU 48 -11.735 -2.392 5.748 1.00 0.00 ATOM 351 CA GLU 48 -10.426 -2.691 5.194 1.00 0.00 ATOM 352 CB GLU 48 -10.235 -1.975 3.855 1.00 0.00 ATOM 353 CG GLU 48 -11.139 -2.485 2.745 1.00 0.00 ATOM 354 CD GLU 48 -10.968 -1.710 1.453 1.00 0.00 ATOM 355 OE1 GLU 48 -10.162 -0.757 1.433 1.00 0.00 ATOM 356 OE2 GLU 48 -11.641 -2.057 0.459 1.00 0.00 ATOM 357 O GLU 48 -8.137 -2.679 5.880 1.00 0.00 ATOM 358 C GLU 48 -9.278 -2.259 6.095 1.00 0.00 ATOM 359 N ASP 49 -9.561 -1.423 7.095 1.00 0.00 ATOM 360 CA ASP 49 -8.519 -0.977 8.030 1.00 0.00 ATOM 361 CB ASP 49 -9.097 -0.023 9.087 1.00 0.00 ATOM 362 CG ASP 49 -9.224 1.400 8.595 1.00 0.00 ATOM 363 OD1 ASP 49 -8.650 1.711 7.526 1.00 0.00 ATOM 364 OD2 ASP 49 -9.893 2.201 9.285 1.00 0.00 ATOM 365 O ASP 49 -8.638 -3.090 9.177 1.00 0.00 ATOM 366 C ASP 49 -7.917 -2.167 8.763 1.00 0.00 ATOM 367 N VAL 50 -6.598 -2.139 8.936 1.00 0.00 ATOM 368 CA VAL 50 -5.888 -3.184 9.674 1.00 0.00 ATOM 369 CB VAL 50 -4.529 -3.510 9.027 1.00 0.00 ATOM 370 CG1 VAL 50 -3.788 -4.557 9.842 1.00 0.00 ATOM 371 CG2 VAL 50 -4.726 -4.047 7.618 1.00 0.00 ATOM 372 O VAL 50 -5.204 -1.534 11.271 1.00 0.00 ATOM 373 C VAL 50 -5.678 -2.652 11.090 1.00 0.00 ATOM 374 N ILE 51 -6.018 -3.445 12.098 1.00 0.00 ATOM 375 CA ILE 51 -5.839 -3.017 13.481 1.00 0.00 ATOM 376 CB ILE 51 -6.821 -3.734 14.425 1.00 0.00 ATOM 377 CG1 ILE 51 -8.264 -3.497 13.976 1.00 0.00 ATOM 378 CG2 ILE 51 -6.668 -3.216 15.848 1.00 0.00 ATOM 379 CD1 ILE 51 -8.663 -2.038 13.948 1.00 0.00 ATOM 380 O ILE 51 -4.003 -4.469 13.960 1.00 0.00 ATOM 381 C ILE 51 -4.430 -3.315 13.970 1.00 0.00 ATOM 382 N ILE 52 -3.726 -2.273 14.406 1.00 0.00 ATOM 383 CA ILE 52 -2.367 -2.406 14.927 1.00 0.00 ATOM 384 CB ILE 52 -1.464 -1.256 14.447 1.00 0.00 ATOM 385 CG1 ILE 52 -1.322 -1.289 12.923 1.00 0.00 ATOM 386 CG2 ILE 52 -0.078 -1.374 15.062 1.00 0.00 ATOM 387 CD1 ILE 52 -0.640 -0.068 12.346 1.00 0.00 ATOM 388 O ILE 52 -1.735 -3.212 17.098 1.00 0.00 ATOM 389 C ILE 52 -2.391 -2.388 16.459 1.00 0.00 ATOM 390 N GLU 53 -3.131 -1.448 17.048 1.00 0.00 ATOM 391 CA GLU 53 -3.239 -1.372 18.512 1.00 0.00 ATOM 392 CB GLU 53 -2.353 -0.255 19.101 1.00 0.00 ATOM 393 CG GLU 53 -0.869 -0.480 18.909 1.00 0.00 ATOM 394 CD GLU 53 0.005 0.620 19.500 1.00 0.00 ATOM 395 OE1 GLU 53 -0.513 1.615 20.043 1.00 0.00 ATOM 396 OE2 GLU 53 1.244 0.483 19.408 1.00 0.00 ATOM 397 O GLU 53 -5.421 -0.427 18.250 1.00 0.00 ATOM 398 C GLU 53 -4.655 -1.084 18.961 1.00 0.00 ATOM 399 N VAL 54 -4.984 -1.581 20.152 1.00 0.00 ATOM 400 CA VAL 54 -6.267 -1.306 20.795 1.00 0.00 ATOM 401 CB VAL 54 -7.146 -2.561 20.959 1.00 0.00 ATOM 402 CG1 VAL 54 -8.384 -2.210 21.795 1.00 0.00 ATOM 403 CG2 VAL 54 -7.574 -3.074 19.584 1.00 0.00 ATOM 404 O VAL 54 -5.236 -1.468 22.966 1.00 0.00 ATOM 405 C VAL 54 -5.879 -0.768 22.175 1.00 0.00 ATOM 406 N ASN 55 -6.256 0.478 22.448 1.00 0.00 ATOM 407 CA ASN 55 -5.925 1.154 23.700 1.00 0.00 ATOM 408 CB ASN 55 -6.822 0.654 24.849 1.00 0.00 ATOM 409 CG ASN 55 -8.232 1.226 24.783 1.00 0.00 ATOM 410 ND2 ASN 55 -8.377 2.369 24.122 1.00 0.00 ATOM 411 OD1 ASN 55 -9.180 0.653 25.335 1.00 0.00 ATOM 412 O ASN 55 -4.052 0.689 25.171 1.00 0.00 ATOM 413 C ASN 55 -4.440 1.010 24.039 1.00 0.00 ATOM 414 N GLY 56 -3.613 1.249 23.023 1.00 0.00 ATOM 415 CA GLY 56 -2.170 1.229 23.189 1.00 0.00 ATOM 416 O GLY 56 -0.222 -0.124 23.376 1.00 0.00 ATOM 417 C GLY 56 -1.453 -0.097 23.228 1.00 0.00 ATOM 418 N VAL 57 -2.201 -1.189 23.107 1.00 0.00 ATOM 419 CA VAL 57 -1.627 -2.532 23.134 1.00 0.00 ATOM 420 CB VAL 57 -2.462 -3.483 24.014 1.00 0.00 ATOM 421 CG1 VAL 57 -1.878 -4.888 23.981 1.00 0.00 ATOM 422 CG2 VAL 57 -2.473 -3.002 25.456 1.00 0.00 ATOM 423 O VAL 57 -2.582 -3.075 21.001 1.00 0.00 ATOM 424 C VAL 57 -1.584 -3.102 21.721 1.00 0.00 ATOM 425 N ASN 58 -0.436 -3.643 21.326 1.00 0.00 ATOM 426 CA ASN 58 -0.294 -4.207 19.995 1.00 0.00 ATOM 427 CB ASN 58 1.180 -4.508 19.706 1.00 0.00 ATOM 428 CG ASN 58 1.413 -4.891 18.264 1.00 0.00 ATOM 429 ND2 ASN 58 1.036 -6.103 17.917 1.00 0.00 ATOM 430 OD1 ASN 58 1.914 -4.088 17.464 1.00 0.00 ATOM 431 O ASN 58 -1.085 -6.384 20.665 1.00 0.00 ATOM 432 C ASN 58 -1.138 -5.468 19.836 1.00 0.00 ATOM 433 N VAL 59 -1.940 -5.511 18.775 1.00 0.00 ATOM 434 CA VAL 59 -2.813 -6.657 18.534 1.00 0.00 ATOM 435 CB VAL 59 -4.317 -6.247 18.589 1.00 0.00 ATOM 436 CG1 VAL 59 -4.701 -5.818 20.004 1.00 0.00 ATOM 437 CG2 VAL 59 -4.578 -5.097 17.607 1.00 0.00 ATOM 438 O VAL 59 -3.353 -8.122 16.705 1.00 0.00 ATOM 439 C VAL 59 -2.547 -7.322 17.187 1.00 0.00 ATOM 440 N LEU 60 -1.402 -7.013 16.595 1.00 0.00 ATOM 441 CA LEU 60 -1.059 -7.563 15.287 1.00 0.00 ATOM 442 CB LEU 60 0.306 -7.045 14.829 1.00 0.00 ATOM 443 CG LEU 60 0.385 -5.557 14.484 1.00 0.00 ATOM 444 CD1 LEU 60 1.824 -5.146 14.207 1.00 0.00 ATOM 445 CD2 LEU 60 -0.444 -5.247 13.247 1.00 0.00 ATOM 446 O LEU 60 -1.176 -9.670 14.156 1.00 0.00 ATOM 447 C LEU 60 -0.973 -9.080 15.224 1.00 0.00 ATOM 448 N ASP 61 -0.676 -9.715 16.349 1.00 0.00 ATOM 449 CA ASP 61 -0.559 -11.163 16.366 1.00 0.00 ATOM 450 CB ASP 61 0.803 -11.584 16.919 1.00 0.00 ATOM 451 CG ASP 61 1.014 -11.143 18.353 1.00 0.00 ATOM 452 OD1 ASP 61 0.111 -10.480 18.908 1.00 0.00 ATOM 453 OD2 ASP 61 2.079 -11.458 18.923 1.00 0.00 ATOM 454 O ASP 61 -1.549 -13.063 17.402 1.00 0.00 ATOM 455 C ASP 61 -1.604 -11.854 17.217 1.00 0.00 ATOM 456 N GLU 62 -2.565 -11.093 17.731 1.00 0.00 ATOM 457 CA GLU 62 -3.594 -11.687 18.570 1.00 0.00 ATOM 458 CB GLU 62 -4.130 -10.652 19.565 1.00 0.00 ATOM 459 CG GLU 62 -3.070 -10.233 20.583 1.00 0.00 ATOM 460 CD GLU 62 -3.643 -9.545 21.811 1.00 0.00 ATOM 461 OE1 GLU 62 -4.748 -8.968 21.720 1.00 0.00 ATOM 462 OE2 GLU 62 -2.969 -9.571 22.865 1.00 0.00 ATOM 463 O GLU 62 -4.920 -12.000 16.592 1.00 0.00 ATOM 464 C GLU 62 -4.735 -12.295 17.773 1.00 0.00 ATOM 465 N PRO 63 -5.484 -13.170 18.435 1.00 0.00 ATOM 466 CA PRO 63 -6.613 -13.840 17.809 1.00 0.00 ATOM 467 CB PRO 63 -6.862 -15.058 18.702 1.00 0.00 ATOM 468 CG PRO 63 -6.445 -14.614 20.064 1.00 0.00 ATOM 469 CD PRO 63 -5.248 -13.728 19.865 1.00 0.00 ATOM 470 O PRO 63 -7.930 -11.927 18.453 1.00 0.00 ATOM 471 C PRO 63 -7.839 -12.938 17.751 1.00 0.00 ATOM 472 N TYR 64 -8.791 -13.337 16.922 1.00 0.00 ATOM 473 CA TYR 64 -10.042 -12.610 16.798 1.00 0.00 ATOM 474 CB TYR 64 -11.028 -13.387 15.925 1.00 0.00 ATOM 475 CG TYR 64 -12.382 -12.726 15.793 1.00 0.00 ATOM 476 CD1 TYR 64 -12.582 -11.685 14.895 1.00 0.00 ATOM 477 CD2 TYR 64 -13.457 -13.145 16.566 1.00 0.00 ATOM 478 CE1 TYR 64 -13.814 -11.074 14.768 1.00 0.00 ATOM 479 CE2 TYR 64 -14.698 -12.547 16.454 1.00 0.00 ATOM 480 CZ TYR 64 -14.870 -11.504 15.544 1.00 0.00 ATOM 481 OH TYR 64 -16.099 -10.898 15.420 1.00 0.00 ATOM 482 O TYR 64 -11.037 -11.288 18.564 1.00 0.00 ATOM 483 C TYR 64 -10.666 -12.405 18.190 1.00 0.00 ATOM 484 N GLU 65 -10.784 -13.472 18.978 1.00 0.00 ATOM 485 CA GLU 65 -11.399 -13.305 20.290 1.00 0.00 ATOM 486 CB GLU 65 -11.477 -14.648 21.020 1.00 0.00 ATOM 487 CG GLU 65 -12.487 -15.618 20.432 1.00 0.00 ATOM 488 CD GLU 65 -12.450 -16.977 21.101 1.00 0.00 ATOM 489 OE1 GLU 65 -11.582 -17.184 21.976 1.00 0.00 ATOM 490 OE2 GLU 65 -13.287 -17.835 20.751 1.00 0.00 ATOM 491 O GLU 65 -11.274 -11.577 21.930 1.00 0.00 ATOM 492 C GLU 65 -10.655 -12.359 21.204 1.00 0.00 ATOM 493 N LYS 66 -9.329 -12.423 21.171 1.00 0.00 ATOM 494 CA LYS 66 -8.525 -11.561 22.024 1.00 0.00 ATOM 495 CB LYS 66 -7.037 -11.882 21.860 1.00 0.00 ATOM 496 CG LYS 66 -6.124 -11.068 22.760 1.00 0.00 ATOM 497 CD LYS 66 -6.310 -11.444 24.222 1.00 0.00 ATOM 498 CE LYS 66 -5.304 -10.729 25.109 1.00 0.00 ATOM 499 NZ LYS 66 -5.468 -11.094 26.543 1.00 0.00 ATOM 500 O LYS 66 -8.903 -9.258 22.546 1.00 0.00 ATOM 501 C LYS 66 -8.741 -10.099 21.665 1.00 0.00 ATOM 502 N VAL 67 -8.779 -9.797 20.372 1.00 0.00 ATOM 503 CA VAL 67 -8.964 -8.410 19.960 1.00 0.00 ATOM 504 CB VAL 67 -8.675 -8.241 18.459 1.00 0.00 ATOM 505 CG1 VAL 67 -8.868 -6.788 18.032 1.00 0.00 ATOM 506 CG2 VAL 67 -7.244 -8.686 18.169 1.00 0.00 ATOM 507 O VAL 67 -10.558 -6.851 20.820 1.00 0.00 ATOM 508 C VAL 67 -10.375 -7.945 20.300 1.00 0.00 ATOM 509 N VAL 68 -11.364 -8.781 20.007 1.00 0.00 ATOM 510 CA VAL 68 -12.751 -8.450 20.304 1.00 0.00 ATOM 511 CB VAL 68 -13.691 -9.592 19.853 1.00 0.00 ATOM 512 CG1 VAL 68 -15.090 -9.414 20.450 1.00 0.00 ATOM 513 CG2 VAL 68 -13.777 -9.593 18.324 1.00 0.00 ATOM 514 O VAL 68 -13.600 -7.218 22.184 1.00 0.00 ATOM 515 C VAL 68 -12.936 -8.176 21.797 1.00 0.00 ATOM 516 N ASP 69 -12.340 -9.004 22.649 1.00 0.00 ATOM 517 CA ASP 69 -12.476 -8.789 24.082 1.00 0.00 ATOM 518 CB ASP 69 -11.801 -9.920 24.859 1.00 0.00 ATOM 519 CG ASP 69 -12.584 -11.219 24.794 1.00 0.00 ATOM 520 OD1 ASP 69 -13.751 -11.186 24.352 1.00 0.00 ATOM 521 OD2 ASP 69 -12.029 -12.266 25.186 1.00 0.00 ATOM 522 O ASP 69 -12.348 -6.871 25.496 1.00 0.00 ATOM 523 C ASP 69 -11.847 -7.488 24.554 1.00 0.00 ATOM 524 N ARG 70 -10.748 -7.065 23.927 1.00 0.00 ATOM 525 CA ARG 70 -10.129 -5.805 24.334 1.00 0.00 ATOM 526 CB ARG 70 -8.818 -5.561 23.580 1.00 0.00 ATOM 527 CG ARG 70 -7.675 -6.461 24.010 1.00 0.00 ATOM 528 CD ARG 70 -6.414 -6.136 23.206 1.00 0.00 ATOM 529 NE ARG 70 -5.289 -6.989 23.581 1.00 0.00 ATOM 530 CZ ARG 70 -4.550 -6.821 24.672 1.00 0.00 ATOM 531 NH1 ARG 70 -4.794 -5.822 25.506 1.00 0.00 ATOM 532 NH2 ARG 70 -3.574 -7.680 24.935 1.00 0.00 ATOM 533 O ARG 70 -11.100 -3.656 24.775 1.00 0.00 ATOM 534 C ARG 70 -11.080 -4.648 24.047 1.00 0.00 ATOM 535 N ILE 71 -11.862 -4.774 22.975 1.00 0.00 ATOM 536 CA ILE 71 -12.807 -3.736 22.586 1.00 0.00 ATOM 537 CB ILE 71 -13.148 -3.862 21.089 1.00 0.00 ATOM 538 CG1 ILE 71 -11.899 -3.537 20.256 1.00 0.00 ATOM 539 CG2 ILE 71 -14.311 -2.913 20.718 1.00 0.00 ATOM 540 CD1 ILE 71 -11.927 -4.128 18.854 1.00 0.00 ATOM 541 O ILE 71 -14.565 -2.782 23.932 1.00 0.00 ATOM 542 C ILE 71 -14.085 -3.800 23.422 1.00 0.00 ATOM 543 N GLN 72 -14.614 -5.002 23.607 1.00 0.00 ATOM 544 CA GLN 72 -15.848 -5.146 24.369 1.00 0.00 ATOM 545 CB GLN 72 -16.293 -6.609 24.401 1.00 0.00 ATOM 546 CG GLN 72 -16.800 -7.133 23.067 1.00 0.00 ATOM 547 CD GLN 72 -17.158 -8.605 23.116 1.00 0.00 ATOM 548 OE1 GLN 72 -16.990 -9.260 24.145 1.00 0.00 ATOM 549 NE2 GLN 72 -17.653 -9.130 22.002 1.00 0.00 ATOM 550 O GLN 72 -16.621 -4.125 26.409 1.00 0.00 ATOM 551 C GLN 72 -15.689 -4.682 25.816 1.00 0.00 ATOM 552 N SER 73 -14.503 -4.903 26.380 1.00 0.00 ATOM 553 CA SER 73 -14.233 -4.492 27.755 1.00 0.00 ATOM 554 CB SER 73 -13.023 -5.243 28.312 1.00 0.00 ATOM 555 OG SER 73 -11.837 -4.875 27.631 1.00 0.00 ATOM 556 O SER 73 -13.738 -2.536 29.028 1.00 0.00 ATOM 557 C SER 73 -13.930 -3.001 27.915 1.00 0.00 ATOM 558 N SER 74 -13.867 -2.262 26.808 1.00 0.00 ATOM 559 CA SER 74 -13.645 -0.808 26.859 1.00 0.00 ATOM 560 CB SER 74 -12.870 -0.342 25.625 1.00 0.00 ATOM 561 OG SER 74 -11.597 -0.959 25.559 1.00 0.00 ATOM 562 O SER 74 -15.725 -0.115 25.860 1.00 0.00 ATOM 563 C SER 74 -15.081 -0.276 26.894 1.00 0.00 ATOM 564 N GLY 75 -15.581 0.006 28.093 1.00 0.00 ATOM 565 CA GLY 75 -16.972 0.395 28.249 1.00 0.00 ATOM 566 O GLY 75 -18.568 2.045 27.655 1.00 0.00 ATOM 567 C GLY 75 -17.379 1.793 27.854 1.00 0.00 ATOM 568 N LYS 76 -16.415 2.693 27.726 1.00 0.00 ATOM 569 CA LYS 76 -16.733 4.079 27.400 1.00 0.00 ATOM 570 CB LYS 76 -16.274 5.012 28.521 1.00 0.00 ATOM 571 CG LYS 76 -17.014 4.817 29.835 1.00 0.00 ATOM 572 CD LYS 76 -16.489 5.756 30.909 1.00 0.00 ATOM 573 CE LYS 76 -17.220 5.552 32.226 1.00 0.00 ATOM 574 NZ LYS 76 -16.712 6.460 33.290 1.00 0.00 ATOM 575 O LYS 76 -16.749 5.372 25.403 1.00 0.00 ATOM 576 C LYS 76 -16.106 4.621 26.140 1.00 0.00 ATOM 577 N ASN 77 -14.847 4.272 25.912 1.00 0.00 ATOM 578 CA ASN 77 -14.115 4.738 24.747 1.00 0.00 ATOM 579 CB ASN 77 -13.470 6.097 25.029 1.00 0.00 ATOM 580 CG ASN 77 -14.493 7.196 25.235 1.00 0.00 ATOM 581 ND2 ASN 77 -14.690 7.594 26.486 1.00 0.00 ATOM 582 OD1 ASN 77 -15.098 7.680 24.278 1.00 0.00 ATOM 583 O ASN 77 -12.493 3.033 25.222 1.00 0.00 ATOM 584 C ASN 77 -13.020 3.762 24.374 1.00 0.00 ATOM 585 N VAL 78 -12.687 3.722 23.092 1.00 0.00 ATOM 586 CA VAL 78 -11.613 2.848 22.659 1.00 0.00 ATOM 587 CB VAL 78 -12.159 1.471 22.142 1.00 0.00 ATOM 588 CG1 VAL 78 -12.947 1.635 20.839 1.00 0.00 ATOM 589 CG2 VAL 78 -11.001 0.488 21.977 1.00 0.00 ATOM 590 O VAL 78 -11.326 4.230 20.715 1.00 0.00 ATOM 591 C VAL 78 -10.785 3.557 21.600 1.00 0.00 ATOM 592 N THR 79 -9.467 3.442 21.734 1.00 0.00 ATOM 593 CA THR 79 -8.519 4.057 20.808 1.00 0.00 ATOM 594 CB THR 79 -7.346 4.716 21.558 1.00 0.00 ATOM 595 CG2 THR 79 -6.365 5.334 20.573 1.00 0.00 ATOM 596 OG1 THR 79 -7.846 5.744 22.422 1.00 0.00 ATOM 597 O THR 79 -7.386 1.991 20.368 1.00 0.00 ATOM 598 C THR 79 -7.987 2.962 19.902 1.00 0.00 ATOM 599 N LEU 80 -8.204 3.111 18.602 1.00 0.00 ATOM 600 CA LEU 80 -7.747 2.118 17.643 1.00 0.00 ATOM 601 CB LEU 80 -8.920 1.622 16.790 1.00 0.00 ATOM 602 CG LEU 80 -10.138 1.061 17.530 1.00 0.00 ATOM 603 CD1 LEU 80 -11.264 0.782 16.539 1.00 0.00 ATOM 604 CD2 LEU 80 -9.756 -0.217 18.260 1.00 0.00 ATOM 605 O LEU 80 -6.950 3.686 16.027 1.00 0.00 ATOM 606 C LEU 80 -6.692 2.700 16.719 1.00 0.00 ATOM 607 N LEU 81 -5.502 2.119 16.730 1.00 0.00 ATOM 608 CA LEU 81 -4.450 2.573 15.814 1.00 0.00 ATOM 609 CB LEU 81 -3.074 2.404 16.447 1.00 0.00 ATOM 610 CG LEU 81 -1.923 2.952 15.592 1.00 0.00 ATOM 611 CD1 LEU 81 -1.946 4.480 15.584 1.00 0.00 ATOM 612 CD2 LEU 81 -0.599 2.446 16.169 1.00 0.00 ATOM 613 O LEU 81 -4.508 0.425 14.758 1.00 0.00 ATOM 614 C LEU 81 -4.601 1.645 14.616 1.00 0.00 ATOM 615 N VAL 82 -4.855 2.217 13.439 1.00 0.00 ATOM 616 CA VAL 82 -5.091 1.424 12.246 1.00 0.00 ATOM 617 CB VAL 82 -6.584 1.555 11.784 1.00 0.00 ATOM 618 CG1 VAL 82 -7.516 1.168 12.919 1.00 0.00 ATOM 619 CG2 VAL 82 -6.886 3.001 11.349 1.00 0.00 ATOM 620 O VAL 82 -3.682 2.941 11.046 1.00 0.00 ATOM 621 C VAL 82 -4.240 1.841 11.064 1.00 0.00 ATOM 622 N CYS 83 -4.149 0.947 10.090 1.00 0.00 ATOM 623 CA CYS 83 -3.463 1.257 8.848 1.00 0.00 ATOM 624 CB CYS 83 -2.307 0.282 8.616 1.00 0.00 ATOM 625 SG CYS 83 -1.345 0.604 7.119 1.00 0.00 ATOM 626 O CYS 83 -5.198 0.050 7.695 1.00 0.00 ATOM 627 C CYS 83 -4.560 1.105 7.804 1.00 0.00 ATOM 628 N GLY 84 -4.795 2.184 7.066 1.00 0.00 ATOM 629 CA GLY 84 -5.841 2.201 6.054 1.00 0.00 ATOM 630 O GLY 84 -4.343 1.103 4.549 1.00 0.00 ATOM 631 C GLY 84 -5.508 1.335 4.868 1.00 0.00 ATOM 632 N LYS 85 -6.548 0.813 4.205 1.00 0.00 ATOM 633 CA LYS 85 -6.348 -0.038 3.042 1.00 0.00 ATOM 634 CB LYS 85 -7.679 -0.633 2.579 1.00 0.00 ATOM 635 CG LYS 85 -7.566 -1.532 1.358 1.00 0.00 ATOM 636 CD LYS 85 -7.024 -2.902 1.730 1.00 0.00 ATOM 637 CE LYS 85 -6.840 -3.775 0.499 1.00 0.00 ATOM 638 NZ LYS 85 -6.256 -5.101 0.841 1.00 0.00 ATOM 639 O LYS 85 -6.045 1.933 1.705 1.00 0.00 ATOM 640 C LYS 85 -5.755 0.750 1.887 1.00 0.00 ATOM 641 N LYS 86 -4.907 0.082 1.131 1.00 0.00 ATOM 642 CA LYS 86 -4.302 0.689 -0.040 1.00 0.00 ATOM 643 CB LYS 86 -2.840 1.045 0.235 1.00 0.00 ATOM 644 CG LYS 86 -1.982 -0.138 0.654 1.00 0.00 ATOM 645 CD LYS 86 -0.539 0.280 0.883 1.00 0.00 ATOM 646 CE LYS 86 0.316 -0.901 1.309 1.00 0.00 ATOM 647 NZ LYS 86 1.744 -0.517 1.490 1.00 0.00 ATOM 648 O LYS 86 -4.612 -1.548 -0.836 1.00 0.00 ATOM 649 C LYS 86 -4.419 -0.361 -1.125 1.00 0.00 ATOM 650 N ALA 87 -4.324 0.068 -2.373 1.00 0.00 ATOM 651 CA ALA 87 -4.417 -0.849 -3.502 1.00 0.00 ATOM 652 CB ALA 87 -5.805 -1.468 -3.568 1.00 0.00 ATOM 653 O ALA 87 -4.333 1.121 -4.846 1.00 0.00 ATOM 654 C ALA 87 -4.151 -0.091 -4.791 1.00 0.00 ATOM 655 N GLN 88 -3.687 -0.788 -5.821 1.00 0.00 ATOM 656 CA GLN 88 -3.481 -0.114 -7.101 1.00 0.00 ATOM 657 CB GLN 88 -2.090 -0.428 -7.654 1.00 0.00 ATOM 658 CG GLN 88 -0.948 0.061 -6.777 1.00 0.00 ATOM 659 CD GLN 88 0.414 -0.310 -7.332 1.00 0.00 ATOM 660 OE1 GLN 88 0.513 -0.992 -8.352 1.00 0.00 ATOM 661 NE2 GLN 88 1.467 0.139 -6.660 1.00 0.00 ATOM 662 O GLN 88 -4.522 -0.301 -9.261 1.00 0.00 ATOM 663 C GLN 88 -4.543 -0.611 -8.071 1.00 0.00 ATOM 664 N ASP 89 -5.493 -1.366 -7.533 1.00 0.00 ATOM 665 CA ASP 89 -6.579 -1.923 -8.320 1.00 0.00 ATOM 666 CB ASP 89 -7.011 -3.277 -7.756 1.00 0.00 ATOM 667 CG ASP 89 -8.115 -3.923 -8.570 1.00 0.00 ATOM 668 OD1 ASP 89 -8.625 -3.268 -9.503 1.00 0.00 ATOM 669 OD2 ASP 89 -8.471 -5.083 -8.275 1.00 0.00 ATOM 670 O ASP 89 -8.456 -0.836 -7.281 1.00 0.00 ATOM 671 C ASP 89 -7.793 -0.986 -8.307 1.00 0.00 ATOM 672 N THR 90 -8.066 -0.353 -9.445 1.00 0.00 ATOM 673 CA THR 90 -9.207 0.554 -9.576 1.00 0.00 ATOM 674 CB THR 90 -8.795 1.887 -10.228 1.00 0.00 ATOM 675 CG2 THR 90 -10.000 2.805 -10.369 1.00 0.00 ATOM 676 OG1 THR 90 -7.810 2.537 -9.414 1.00 0.00 ATOM 677 O THR 90 -10.049 -0.390 -11.632 1.00 0.00 ATOM 678 C THR 90 -10.283 -0.111 -10.456 1.00 0.00 ATOM 679 N VAL 91 -11.448 -0.392 -9.872 1.00 0.00 ATOM 680 CA VAL 91 -12.561 -1.010 -10.600 1.00 0.00 ATOM 681 CB VAL 91 -13.127 -2.225 -9.842 1.00 0.00 ATOM 682 CG1 VAL 91 -12.094 -3.338 -9.770 1.00 0.00 ATOM 683 CG2 VAL 91 -13.511 -1.834 -8.422 1.00 0.00 ATOM 684 O VAL 91 -14.435 -0.100 -11.757 1.00 0.00 ATOM 685 C VAL 91 -13.672 0.015 -10.777 1.00 0.00 TER END