PFRMAT TS TARGET T0473 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 This target seems to be a fold-recognition target with 2fi0A as the METHOD best template. We did a lot of polishing to close gaps (finally METHOD getting the gaps to close when some minor bugs were removed from undertaker). METHOD The metaserver results turned out to be about the same as the direct METHOD results, so we did not polish them much. METHOD METHOD Model METHOD METHOD 1 T0473.try10-opt3.pdb # < try9-opt1 < try8-opt2 METHOD # < try7-opt3 < try6-opt3 < try5-opt3 < try2-opt3.gromacs0 METHOD # < try1-opt3 < align(2fi0A) METHOD METHOD 2 T0473.MQAC1-opt3.pdb # < RAPTOR_TS4 METHOD METHOD 3 T0473.MQAU1-opt3.pdb # < SAM-T08-server_TS1 METHOD METHOD 4 T0473.try5-opt3.gromacs0.repack-nonPC.pdb # best Rosetta energy METHOD METHOD 5 T0473.try2-opt3.gromacs0.pdb # < try1-opt3 < align(2fi0A) METHOD METHOD METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0473 model 2 Mon Jun 30 21:53:00 2008 MODEL 2 PARENT N/A ATOM 1 N MET 1 10.346 30.351 33.303 1.00 0.00 ATOM 2 CA MET 1 8.945 30.296 33.840 1.00 0.00 ATOM 3 CB MET 1 8.267 31.653 33.739 1.00 0.00 ATOM 4 CG MET 1 8.422 32.565 34.936 1.00 0.00 ATOM 5 SD MET 1 10.213 33.165 35.202 1.00 0.00 ATOM 6 CE MET 1 9.903 34.802 36.172 1.00 0.00 ATOM 7 O MET 1 8.569 28.146 32.843 1.00 0.00 ATOM 8 C MET 1 8.147 29.290 33.017 1.00 0.00 ATOM 9 N LYS 2 6.994 29.718 32.511 1.00 0.00 ATOM 10 CA LYS 2 6.169 28.851 31.720 1.00 0.00 ATOM 11 CB LYS 2 4.747 29.445 31.515 1.00 0.00 ATOM 12 CG LYS 2 3.815 29.329 32.704 1.00 0.00 ATOM 13 CD LYS 2 4.263 30.132 33.908 1.00 0.00 ATOM 14 CE LYS 2 4.339 31.663 33.646 1.00 0.00 ATOM 15 NZ LYS 2 3.077 32.233 33.062 1.00 0.00 ATOM 16 O LYS 2 7.314 29.598 29.743 1.00 0.00 ATOM 17 C LYS 2 6.828 28.652 30.351 1.00 0.00 ATOM 18 N ILE 3 6.860 27.422 29.937 1.00 0.00 ATOM 19 CA ILE 3 7.452 27.099 28.644 1.00 0.00 ATOM 20 CB ILE 3 8.580 26.105 28.731 1.00 0.00 ATOM 21 CG1 ILE 3 9.738 26.632 29.590 1.00 0.00 ATOM 22 CG2 ILE 3 8.994 25.759 27.290 1.00 0.00 ATOM 23 CD1 ILE 3 10.421 27.865 29.002 1.00 0.00 ATOM 24 O ILE 3 5.831 25.402 28.249 1.00 0.00 ATOM 25 C ILE 3 6.422 26.364 27.796 1.00 0.00 ATOM 26 N THR 4 6.209 26.833 26.575 1.00 0.00 ATOM 27 CA THR 4 5.261 26.180 25.680 1.00 0.00 ATOM 28 CB THR 4 4.304 27.180 25.103 1.00 0.00 ATOM 29 CG2 THR 4 3.334 26.440 24.170 1.00 0.00 ATOM 30 OG1 THR 4 3.581 27.828 26.139 1.00 0.00 ATOM 31 O THR 4 6.655 26.351 23.762 1.00 0.00 ATOM 32 C THR 4 6.011 25.620 24.509 1.00 0.00 ATOM 33 N LYS 5 5.951 24.284 24.344 1.00 0.00 ATOM 34 CA LYS 5 6.619 23.572 23.292 1.00 0.00 ATOM 35 CB LYS 5 6.403 22.067 23.404 1.00 0.00 ATOM 36 CG LYS 5 4.952 21.636 23.453 1.00 0.00 ATOM 37 CD LYS 5 4.841 20.119 23.350 1.00 0.00 ATOM 38 CE LYS 5 5.827 19.413 24.274 1.00 0.00 ATOM 39 NZ LYS 5 5.635 19.755 25.712 1.00 0.00 ATOM 40 O LYS 5 6.818 23.763 20.914 1.00 0.00 ATOM 41 C LYS 5 6.080 23.853 21.894 1.00 0.00 ATOM 42 N ASP 6 4.836 24.198 21.777 1.00 0.00 ATOM 43 CA ASP 6 4.227 24.462 20.479 1.00 0.00 ATOM 44 CB ASP 6 2.685 24.368 20.424 1.00 0.00 ATOM 45 CG ASP 6 2.019 25.422 21.300 1.00 0.00 ATOM 46 OD1 ASP 6 2.533 26.568 21.382 1.00 0.00 ATOM 47 OD2 ASP 6 0.958 25.087 21.891 1.00 0.00 ATOM 48 O ASP 6 4.262 26.108 18.733 1.00 0.00 ATOM 49 C ASP 6 4.549 25.836 19.900 1.00 0.00 ATOM 50 N MET 7 5.147 26.699 20.715 1.00 0.00 ATOM 51 CA MET 7 5.509 28.062 20.265 1.00 0.00 ATOM 52 CB MET 7 5.399 29.215 21.282 1.00 0.00 ATOM 53 CG MET 7 3.962 29.582 21.658 1.00 0.00 ATOM 54 SD MET 7 3.811 31.073 22.691 1.00 0.00 ATOM 55 CE MET 7 4.512 30.326 24.189 1.00 0.00 ATOM 56 O MET 7 7.690 27.188 19.927 1.00 0.00 ATOM 57 C MET 7 6.891 28.098 19.706 1.00 0.00 ATOM 58 N ILE 8 7.193 29.159 18.965 1.00 0.00 ATOM 59 CA ILE 8 8.514 29.311 18.365 1.00 0.00 ATOM 60 CB ILE 8 8.562 30.718 17.715 1.00 0.00 ATOM 61 CG1 ILE 8 7.631 30.798 16.524 1.00 0.00 ATOM 62 CG2 ILE 8 10.029 31.045 17.370 1.00 0.00 ATOM 63 CD1 ILE 8 7.585 32.082 15.749 1.00 0.00 ATOM 64 O ILE 8 9.251 29.873 20.579 1.00 0.00 ATOM 65 C ILE 8 9.505 29.289 19.524 1.00 0.00 ATOM 66 N ILE 9 10.634 28.617 19.327 1.00 0.00 ATOM 67 CA ILE 9 11.624 28.539 20.346 1.00 0.00 ATOM 68 CB ILE 9 12.742 27.510 19.995 1.00 0.00 ATOM 69 CG1 ILE 9 12.151 26.102 19.988 1.00 0.00 ATOM 70 CG2 ILE 9 13.888 27.565 21.032 1.00 0.00 ATOM 71 CD1 ILE 9 13.011 25.038 19.245 1.00 0.00 ATOM 72 O ILE 9 12.539 30.150 21.891 1.00 0.00 ATOM 73 C ILE 9 12.211 29.914 20.728 1.00 0.00 ATOM 74 N ALA 10 12.335 30.804 19.749 1.00 0.00 ATOM 75 CA ALA 10 12.876 32.134 20.002 1.00 0.00 ATOM 76 CB ALA 10 12.987 33.039 18.763 1.00 0.00 ATOM 77 O ALA 10 12.482 33.529 21.880 1.00 0.00 ATOM 78 C ALA 10 12.003 32.853 20.969 1.00 0.00 ATOM 79 N ASP 11 10.694 32.717 20.785 1.00 0.00 ATOM 80 CA ASP 11 9.734 33.369 21.668 1.00 0.00 ATOM 81 CB ASP 11 8.273 33.075 21.284 1.00 0.00 ATOM 82 CG ASP 11 7.373 34.063 22.005 1.00 0.00 ATOM 83 OD1 ASP 11 7.903 34.886 22.797 1.00 0.00 ATOM 84 OD2 ASP 11 6.138 34.012 21.765 1.00 0.00 ATOM 85 O ASP 11 9.873 33.645 24.046 1.00 0.00 ATOM 86 C ASP 11 9.916 32.864 23.095 1.00 0.00 ATOM 87 N VAL 12 10.119 31.559 23.244 1.00 0.00 ATOM 88 CA VAL 12 10.303 30.991 24.535 1.00 0.00 ATOM 89 CB VAL 12 10.480 29.483 24.498 1.00 0.00 ATOM 90 CG1 VAL 12 11.180 28.952 25.724 1.00 0.00 ATOM 91 CG2 VAL 12 9.129 28.826 24.314 1.00 0.00 ATOM 92 O VAL 12 11.520 31.927 26.359 1.00 0.00 ATOM 93 C VAL 12 11.540 31.538 25.190 1.00 0.00 ATOM 94 N LEU 13 12.636 31.572 24.438 1.00 0.00 ATOM 95 CA LEU 13 13.897 32.084 24.963 1.00 0.00 ATOM 96 CB LEU 13 15.023 31.877 23.946 1.00 0.00 ATOM 97 CG LEU 13 15.377 30.423 23.636 1.00 0.00 ATOM 98 CD1 LEU 13 16.478 30.388 22.608 1.00 0.00 ATOM 99 CD2 LEU 13 15.801 29.650 24.891 1.00 0.00 ATOM 100 O LEU 13 14.410 33.955 26.321 1.00 0.00 ATOM 101 C LEU 13 13.816 33.530 25.329 1.00 0.00 ATOM 102 N GLN 14 13.068 34.286 24.555 1.00 0.00 ATOM 103 CA GLN 14 12.930 35.693 24.889 1.00 0.00 ATOM 104 CB GLN 14 12.121 36.481 23.913 1.00 0.00 ATOM 105 CG GLN 14 12.945 36.996 22.754 1.00 0.00 ATOM 106 CD GLN 14 14.196 37.741 23.219 1.00 0.00 ATOM 107 OE1 GLN 14 14.113 38.765 23.912 1.00 0.00 ATOM 108 NE2 GLN 14 15.356 37.239 22.828 1.00 0.00 ATOM 109 O GLN 14 12.613 36.636 27.071 1.00 0.00 ATOM 110 C GLN 14 12.225 35.820 26.234 1.00 0.00 ATOM 111 N MET 15 11.190 35.012 26.441 1.00 0.00 ATOM 112 CA MET 15 10.469 35.056 27.660 1.00 0.00 ATOM 113 CB MET 15 9.268 34.101 27.752 1.00 0.00 ATOM 114 CG MET 15 8.557 34.203 29.105 1.00 0.00 ATOM 115 SD MET 15 7.417 32.840 29.493 1.00 0.00 ATOM 116 CE MET 15 6.136 33.316 28.298 1.00 0.00 ATOM 117 O MET 15 11.625 35.404 29.732 1.00 0.00 ATOM 118 C MET 15 11.445 34.665 28.764 1.00 0.00 ATOM 119 N ASP 16 12.075 33.504 28.616 1.00 0.00 ATOM 120 CA ASP 16 13.001 33.054 29.589 1.00 0.00 ATOM 121 CB ASP 16 12.540 31.705 30.163 1.00 0.00 ATOM 122 CG ASP 16 11.289 31.960 30.992 1.00 0.00 ATOM 123 OD1 ASP 16 11.268 32.974 31.740 1.00 0.00 ATOM 124 OD2 ASP 16 10.331 31.150 30.877 1.00 0.00 ATOM 125 O ASP 16 14.755 31.824 28.545 1.00 0.00 ATOM 126 C ASP 16 14.412 32.867 29.101 1.00 0.00 ATOM 127 N ARG 17 15.243 33.885 29.302 1.00 0.00 ATOM 128 CA ARG 17 16.634 33.820 28.874 1.00 0.00 ATOM 129 CB ARG 17 17.341 35.042 29.811 1.00 0.00 ATOM 130 CG ARG 17 16.445 36.235 30.192 1.00 0.00 ATOM 131 CD ARG 17 16.969 37.032 31.395 1.00 0.00 ATOM 132 NE ARG 17 17.022 36.222 32.611 1.00 0.00 ATOM 133 CZ ARG 17 17.319 36.685 33.820 1.00 0.00 ATOM 134 NH1 ARG 17 17.346 35.856 34.854 1.00 0.00 ATOM 135 NH2 ARG 17 17.582 37.976 34.009 1.00 0.00 ATOM 136 O ARG 17 18.214 32.014 28.931 1.00 0.00 ATOM 137 C ARG 17 17.387 32.681 29.554 1.00 0.00 ATOM 138 N GLY 18 17.099 32.460 30.833 1.00 0.00 ATOM 139 CA GLY 18 17.748 31.409 31.567 1.00 0.00 ATOM 140 O GLY 18 18.350 29.139 31.171 1.00 0.00 ATOM 141 C GLY 18 17.523 30.035 31.004 1.00 0.00 ATOM 142 N THR 19 16.393 29.857 30.327 1.00 0.00 ATOM 143 CA THR 19 16.064 28.566 29.732 1.00 0.00 ATOM 144 CB THR 19 14.677 28.618 29.172 1.00 0.00 ATOM 145 CG2 THR 19 14.372 27.267 28.541 1.00 0.00 ATOM 146 OG1 THR 19 13.736 28.897 30.195 1.00 0.00 ATOM 147 O THR 19 16.977 27.007 28.154 1.00 0.00 ATOM 148 C THR 19 16.907 28.180 28.521 1.00 0.00 ATOM 149 N ALA 20 17.547 29.168 27.903 1.00 0.00 ATOM 150 CA ALA 20 18.368 28.911 26.757 1.00 0.00 ATOM 151 CB ALA 20 18.994 30.181 26.160 1.00 0.00 ATOM 152 O ALA 20 19.745 27.050 26.303 1.00 0.00 ATOM 153 C ALA 20 19.478 27.962 27.085 1.00 0.00 ATOM 154 N PRO 21 20.150 28.110 28.188 1.00 0.00 ATOM 155 CA PRO 21 21.212 27.190 28.475 1.00 0.00 ATOM 156 CB PRO 21 21.704 27.616 29.861 1.00 0.00 ATOM 157 CG PRO 21 21.557 29.107 29.774 1.00 0.00 ATOM 158 CD PRO 21 20.195 29.302 29.095 1.00 0.00 ATOM 159 O PRO 21 21.458 24.836 28.210 1.00 0.00 ATOM 160 C PRO 21 20.736 25.770 28.560 1.00 0.00 ATOM 161 N ILE 22 19.504 25.593 29.028 1.00 0.00 ATOM 162 CA ILE 22 18.929 24.258 29.154 1.00 0.00 ATOM 163 CB ILE 22 17.562 24.298 29.895 1.00 0.00 ATOM 164 CG1 ILE 22 17.612 25.230 31.106 1.00 0.00 ATOM 165 CG2 ILE 22 17.153 22.868 30.247 1.00 0.00 ATOM 166 CD1 ILE 22 16.345 25.296 31.954 1.00 0.00 ATOM 167 O ILE 22 19.107 22.493 27.563 1.00 0.00 ATOM 168 C ILE 22 18.750 23.647 27.797 1.00 0.00 ATOM 169 N PHE 23 18.211 24.442 26.858 1.00 0.00 ATOM 170 CA PHE 23 17.864 24.001 25.536 1.00 0.00 ATOM 171 CB PHE 23 17.072 25.063 24.786 1.00 0.00 ATOM 172 CG PHE 23 15.671 25.263 25.306 1.00 0.00 ATOM 173 CD1 PHE 23 15.189 24.522 26.382 1.00 0.00 ATOM 174 CD2 PHE 23 14.817 26.170 24.681 1.00 0.00 ATOM 175 CE1 PHE 23 13.877 24.677 26.821 1.00 0.00 ATOM 176 CE2 PHE 23 13.509 26.331 25.112 1.00 0.00 ATOM 177 CZ PHE 23 13.035 25.584 26.182 1.00 0.00 ATOM 178 O PHE 23 19.087 22.630 23.993 1.00 0.00 ATOM 179 C PHE 23 19.094 23.630 24.716 1.00 0.00 ATOM 180 N ILE 24 20.180 24.386 24.854 1.00 0.00 ATOM 181 CA ILE 24 21.377 24.056 24.103 1.00 0.00 ATOM 182 CB ILE 24 22.456 25.209 24.446 1.00 0.00 ATOM 183 CG1 ILE 24 22.012 26.568 23.899 1.00 0.00 ATOM 184 CG2 ILE 24 23.822 24.823 23.889 1.00 0.00 ATOM 185 CD1 ILE 24 22.841 27.722 24.411 1.00 0.00 ATOM 186 O ILE 24 22.329 21.999 23.442 1.00 0.00 ATOM 187 C ILE 24 21.814 22.670 24.338 1.00 0.00 ATOM 188 N ASN 25 21.615 22.201 25.566 1.00 0.00 ATOM 189 CA ASN 25 22.000 20.841 25.927 1.00 0.00 ATOM 190 CB ASN 25 22.012 20.675 27.482 1.00 0.00 ATOM 191 CG ASN 25 23.252 21.289 28.111 1.00 0.00 ATOM 192 ND2 ASN 25 23.048 22.049 29.148 1.00 0.00 ATOM 193 OD1 ASN 25 24.334 21.066 27.598 1.00 0.00 ATOM 194 O ASN 25 21.341 18.569 25.532 1.00 0.00 ATOM 195 C ASN 25 21.085 19.761 25.360 1.00 0.00 ATOM 196 N ASN 26 20.020 20.180 24.685 1.00 0.00 ATOM 197 CA ASN 26 19.107 19.250 24.115 1.00 0.00 ATOM 198 CB ASN 26 17.805 19.242 24.917 1.00 0.00 ATOM 199 CG ASN 26 16.956 18.011 24.652 1.00 0.00 ATOM 200 ND2 ASN 26 15.632 18.199 24.662 1.00 0.00 ATOM 201 OD1 ASN 26 17.463 16.904 24.452 1.00 0.00 ATOM 202 O ASN 26 17.753 19.435 22.158 1.00 0.00 ATOM 203 C ASN 26 18.889 19.434 22.633 1.00 0.00 ATOM 204 N GLY 27 19.980 19.592 21.891 1.00 0.00 ATOM 205 CA GLY 27 19.893 19.777 20.447 1.00 0.00 ATOM 206 O GLY 27 19.482 21.430 18.758 1.00 0.00 ATOM 207 C GLY 27 19.572 21.186 19.962 1.00 0.00 ATOM 208 N MET 28 19.399 22.113 20.899 1.00 0.00 ATOM 209 CA MET 28 19.089 23.503 20.549 1.00 0.00 ATOM 210 CB MET 28 17.743 23.839 21.564 1.00 0.00 ATOM 211 CG MET 28 17.035 22.666 22.220 1.00 0.00 ATOM 212 SD MET 28 15.826 21.875 21.161 1.00 0.00 ATOM 213 CE MET 28 14.534 23.109 21.073 1.00 0.00 ATOM 214 O MET 28 20.248 25.599 20.879 1.00 0.00 ATOM 215 C MET 28 20.355 24.387 20.688 1.00 0.00 ATOM 216 N HIS 29 21.531 23.775 20.588 1.00 0.00 ATOM 217 CA HIS 29 22.781 24.517 20.701 1.00 0.00 ATOM 218 CB HIS 29 23.990 23.648 20.636 1.00 0.00 ATOM 219 CG HIS 29 24.230 22.992 19.312 1.00 0.00 ATOM 220 CD2 HIS 29 25.115 23.274 18.326 1.00 0.00 ATOM 221 ND1 HIS 29 23.491 21.916 18.867 1.00 0.00 ATOM 222 CE1 HIS 29 23.910 21.566 17.664 1.00 0.00 ATOM 223 NE2 HIS 29 24.895 22.374 17.312 1.00 0.00 ATOM 224 O HIS 29 23.350 26.665 19.839 1.00 0.00 ATOM 225 C HIS 29 22.919 25.526 19.566 1.00 0.00 ATOM 226 N CYS 30 22.615 25.125 18.310 1.00 0.00 ATOM 227 CA CYS 30 22.747 26.105 17.242 1.00 0.00 ATOM 228 CB CYS 30 22.305 25.540 15.907 1.00 0.00 ATOM 229 SG CYS 30 20.590 24.988 15.717 1.00 0.00 ATOM 230 O CYS 30 22.348 28.456 17.150 1.00 0.00 ATOM 231 C CYS 30 21.969 27.356 17.543 1.00 0.00 ATOM 232 N LEU 31 20.857 27.193 18.277 1.00 0.00 ATOM 233 CA LEU 31 19.905 28.189 18.683 1.00 0.00 ATOM 234 CB LEU 31 18.696 27.627 19.448 1.00 0.00 ATOM 235 CG LEU 31 17.870 26.617 18.637 1.00 0.00 ATOM 236 CD1 LEU 31 16.542 26.292 19.338 1.00 0.00 ATOM 237 CD2 LEU 31 17.708 27.064 17.178 1.00 0.00 ATOM 238 O LEU 31 19.884 30.292 19.817 1.00 0.00 ATOM 239 C LEU 31 20.494 29.244 19.606 1.00 0.00 ATOM 240 N GLY 32 21.662 28.954 20.167 1.00 0.00 ATOM 241 CA GLY 32 22.299 29.884 21.080 1.00 0.00 ATOM 242 O GLY 32 22.220 32.249 20.950 1.00 0.00 ATOM 243 C GLY 32 22.437 31.191 20.361 1.00 0.00 ATOM 244 N CYS 33 22.819 31.158 19.071 1.00 0.00 ATOM 245 CA CYS 33 22.873 32.384 18.328 1.00 0.00 ATOM 246 CB CYS 33 23.600 32.265 16.977 1.00 0.00 ATOM 247 SG CYS 33 22.775 31.119 15.832 1.00 0.00 ATOM 248 O CYS 33 20.568 31.829 17.850 1.00 0.00 ATOM 249 C CYS 33 21.400 32.723 18.031 1.00 0.00 ATOM 250 N PRO 34 21.149 33.919 18.018 1.00 0.00 ATOM 251 CA PRO 34 19.800 34.378 17.673 1.00 0.00 ATOM 252 CB PRO 34 19.982 35.897 17.639 1.00 0.00 ATOM 253 CG PRO 34 21.009 36.173 18.652 1.00 0.00 ATOM 254 CD PRO 34 21.939 34.995 18.646 1.00 0.00 ATOM 255 O PRO 34 20.085 34.047 15.371 1.00 0.00 ATOM 256 C PRO 34 19.336 33.913 16.333 1.00 0.00 ATOM 257 N SER 35 18.104 33.370 16.276 1.00 0.00 ATOM 258 CA SER 35 17.407 32.945 15.095 1.00 0.00 ATOM 259 CB SER 35 18.250 32.817 13.807 1.00 0.00 ATOM 260 OG SER 35 19.257 31.827 13.966 1.00 0.00 ATOM 261 O SER 35 17.307 30.608 14.804 1.00 0.00 ATOM 262 C SER 35 16.768 31.632 15.228 1.00 0.00 ATOM 263 N SER 36 15.583 31.625 15.831 1.00 0.00 ATOM 264 CA SER 36 14.841 30.385 16.024 1.00 0.00 ATOM 265 CB SER 36 15.105 29.859 17.442 1.00 0.00 ATOM 266 OG SER 36 14.394 28.651 17.649 1.00 0.00 ATOM 267 O SER 36 12.608 30.451 16.837 1.00 0.00 ATOM 268 C SER 36 13.384 30.664 15.906 1.00 0.00 ATOM 269 N MET 37 12.972 31.128 14.717 1.00 0.00 ATOM 270 CA MET 37 11.609 31.500 14.515 1.00 0.00 ATOM 271 CB MET 37 11.525 32.849 13.848 1.00 0.00 ATOM 272 CG MET 37 12.124 33.970 14.687 1.00 0.00 ATOM 273 SD MET 37 11.418 34.114 16.318 1.00 0.00 ATOM 274 CE MET 37 9.738 34.676 15.942 1.00 0.00 ATOM 275 O MET 37 11.721 30.108 12.564 1.00 0.00 ATOM 276 C MET 37 11.023 30.548 13.480 1.00 0.00 ATOM 277 N GLY 38 9.739 30.230 13.622 1.00 0.00 ATOM 278 CA GLY 38 9.115 29.365 12.717 1.00 0.00 ATOM 279 O GLY 38 8.837 27.040 12.347 1.00 0.00 ATOM 280 C GLY 38 9.324 27.911 13.060 1.00 0.00 ATOM 281 N GLU 39 10.034 27.698 14.093 1.00 0.00 ATOM 282 CA GLU 39 10.308 26.334 14.538 1.00 0.00 ATOM 283 CB GLU 39 11.678 25.849 14.000 1.00 0.00 ATOM 284 CG GLU 39 11.787 25.749 12.504 1.00 0.00 ATOM 285 CD GLU 39 13.034 25.013 12.093 1.00 0.00 ATOM 286 OE1 GLU 39 14.143 25.579 12.238 1.00 0.00 ATOM 287 OE2 GLU 39 12.896 23.857 11.641 1.00 0.00 ATOM 288 O GLU 39 10.625 27.095 16.772 1.00 0.00 ATOM 289 C GLU 39 10.074 26.302 16.011 1.00 0.00 ATOM 290 N SER 40 9.180 25.385 16.429 1.00 0.00 ATOM 291 CA SER 40 8.811 25.232 17.803 1.00 0.00 ATOM 292 CB SER 40 7.350 24.799 18.010 1.00 0.00 ATOM 293 OG SER 40 7.145 23.506 17.459 1.00 0.00 ATOM 294 O SER 40 10.523 23.551 17.826 1.00 0.00 ATOM 295 C SER 40 9.661 24.153 18.467 1.00 0.00 ATOM 296 N ILE 41 9.416 23.910 19.751 1.00 0.00 ATOM 297 CA ILE 41 10.150 22.925 20.454 1.00 0.00 ATOM 298 CB ILE 41 9.904 22.932 21.964 1.00 0.00 ATOM 299 CG1 ILE 41 10.532 24.194 22.559 1.00 0.00 ATOM 300 CG2 ILE 41 10.473 21.702 22.637 1.00 0.00 ATOM 301 CD1 ILE 41 9.803 24.656 23.850 1.00 0.00 ATOM 302 O ILE 41 10.618 20.757 19.661 1.00 0.00 ATOM 303 C ILE 41 9.779 21.635 19.868 1.00 0.00 ATOM 304 N GLU 42 8.491 21.483 19.579 1.00 0.00 ATOM 305 CA GLU 42 7.989 20.248 18.988 1.00 0.00 ATOM 306 CB GLU 42 6.484 20.439 18.733 1.00 0.00 ATOM 307 CG GLU 42 5.778 19.241 18.100 1.00 0.00 ATOM 308 CD GLU 42 4.368 19.688 17.700 1.00 0.00 ATOM 309 OE1 GLU 42 4.136 19.745 16.475 1.00 0.00 ATOM 310 OE2 GLU 42 3.556 20.002 18.597 1.00 0.00 ATOM 311 O GLU 42 9.239 18.902 17.444 1.00 0.00 ATOM 312 C GLU 42 8.715 19.993 17.671 1.00 0.00 ATOM 313 N ASP 43 8.746 21.002 16.806 1.00 0.00 ATOM 314 CA ASP 43 9.396 20.862 15.566 1.00 0.00 ATOM 315 CB ASP 43 9.230 22.093 14.662 1.00 0.00 ATOM 316 CG ASP 43 7.769 22.177 14.266 1.00 0.00 ATOM 317 OD1 ASP 43 7.141 21.104 14.070 1.00 0.00 ATOM 318 OD2 ASP 43 7.264 23.324 14.144 1.00 0.00 ATOM 319 O ASP 43 11.494 19.806 15.055 1.00 0.00 ATOM 320 C ASP 43 10.908 20.659 15.714 1.00 0.00 ATOM 321 N ALA 44 11.477 21.446 16.548 1.00 0.00 ATOM 322 CA ALA 44 12.909 21.373 16.779 1.00 0.00 ATOM 323 CB ALA 44 13.098 22.120 18.279 1.00 0.00 ATOM 324 O ALA 44 14.365 19.512 16.803 1.00 0.00 ATOM 325 C ALA 44 13.340 20.023 17.246 1.00 0.00 ATOM 326 N CYS 45 12.576 19.396 18.157 1.00 0.00 ATOM 327 CA CYS 45 13.022 18.140 18.686 1.00 0.00 ATOM 328 CB CYS 45 12.047 17.660 19.790 1.00 0.00 ATOM 329 SG CYS 45 12.120 18.591 21.328 1.00 0.00 ATOM 330 O CYS 45 14.029 16.305 17.587 1.00 0.00 ATOM 331 C CYS 45 13.099 17.111 17.629 1.00 0.00 ATOM 332 N ALA 46 12.109 17.117 16.742 1.00 0.00 ATOM 333 CA ALA 46 12.070 16.153 15.648 1.00 0.00 ATOM 334 CB ALA 46 10.821 16.247 14.755 1.00 0.00 ATOM 335 O ALA 46 13.945 15.348 14.447 1.00 0.00 ATOM 336 C ALA 46 13.266 16.320 14.766 1.00 0.00 ATOM 337 N VAL 47 13.567 17.568 14.353 1.00 0.00 ATOM 338 CA VAL 47 14.673 17.760 13.465 1.00 0.00 ATOM 339 CB VAL 47 14.788 19.155 12.910 1.00 0.00 ATOM 340 CG1 VAL 47 13.539 19.441 12.064 1.00 0.00 ATOM 341 CG2 VAL 47 15.007 20.160 14.048 1.00 0.00 ATOM 342 O VAL 47 16.865 16.783 13.580 1.00 0.00 ATOM 343 C VAL 47 15.985 17.417 14.166 1.00 0.00 ATOM 344 N HIS 48 16.042 17.818 15.387 1.00 0.00 ATOM 345 CA HIS 48 17.263 17.551 16.144 1.00 0.00 ATOM 346 CB HIS 48 17.320 18.547 17.373 1.00 0.00 ATOM 347 CG HIS 48 17.401 20.003 17.000 1.00 0.00 ATOM 348 CD2 HIS 48 16.642 21.059 17.347 1.00 0.00 ATOM 349 ND1 HIS 48 18.345 20.479 16.112 1.00 0.00 ATOM 350 CE1 HIS 48 18.171 21.781 15.952 1.00 0.00 ATOM 351 NE2 HIS 48 17.158 22.162 16.698 1.00 0.00 ATOM 352 O HIS 48 18.534 15.592 16.697 1.00 0.00 ATOM 353 C HIS 48 17.416 16.085 16.535 1.00 0.00 ATOM 354 N GLY 49 16.293 15.390 16.685 1.00 0.00 ATOM 355 CA GLY 49 16.334 14.029 17.043 1.00 0.00 ATOM 356 O GLY 49 16.569 12.717 19.022 1.00 0.00 ATOM 357 C GLY 49 16.240 13.797 18.529 1.00 0.00 ATOM 358 N ILE 50 15.787 14.813 19.257 1.00 0.00 ATOM 359 CA ILE 50 15.650 14.704 20.704 1.00 0.00 ATOM 360 CB ILE 50 15.995 16.064 21.332 1.00 0.00 ATOM 361 CG1 ILE 50 17.495 16.311 21.144 1.00 0.00 ATOM 362 CG2 ILE 50 15.702 15.991 22.816 1.00 0.00 ATOM 363 CD1 ILE 50 17.867 16.884 19.787 1.00 0.00 ATOM 364 O ILE 50 13.421 15.513 20.561 1.00 0.00 ATOM 365 C ILE 50 14.194 14.664 21.004 1.00 0.00 ATOM 366 N ASP 51 13.791 13.619 21.754 1.00 0.00 ATOM 367 CA ASP 51 12.399 13.424 22.020 1.00 0.00 ATOM 368 CB ASP 51 12.084 12.096 22.734 1.00 0.00 ATOM 369 CG ASP 51 12.378 10.951 21.772 1.00 0.00 ATOM 370 OD1 ASP 51 13.042 11.203 20.731 1.00 0.00 ATOM 371 OD2 ASP 51 11.948 9.805 22.070 1.00 0.00 ATOM 372 O ASP 51 12.643 14.955 23.852 1.00 0.00 ATOM 373 C ASP 51 11.928 14.549 22.935 1.00 0.00 ATOM 374 N ALA 52 10.722 15.052 22.686 1.00 0.00 ATOM 375 CA ALA 52 10.188 16.106 23.486 1.00 0.00 ATOM 376 CB ALA 52 8.824 16.567 22.811 1.00 0.00 ATOM 377 O ALA 52 10.157 16.588 25.836 1.00 0.00 ATOM 378 C ALA 52 10.044 15.732 24.958 1.00 0.00 ATOM 379 N ASP 53 9.794 14.454 25.224 1.00 0.00 ATOM 380 CA ASP 53 9.645 14.007 26.564 1.00 0.00 ATOM 381 CB ASP 53 9.488 12.527 26.704 1.00 0.00 ATOM 382 CG ASP 53 8.143 12.054 26.183 1.00 0.00 ATOM 383 OD1 ASP 53 7.146 12.786 26.349 1.00 0.00 ATOM 384 OD2 ASP 53 8.079 10.939 25.622 1.00 0.00 ATOM 385 O ASP 53 10.853 14.794 28.444 1.00 0.00 ATOM 386 C ASP 53 10.890 14.326 27.306 1.00 0.00 ATOM 387 N LYS 54 12.027 14.076 26.666 1.00 0.00 ATOM 388 CA LYS 54 13.319 14.350 27.285 1.00 0.00 ATOM 389 CB LYS 54 14.484 13.942 26.407 1.00 0.00 ATOM 390 CG LYS 54 14.636 12.465 26.149 1.00 0.00 ATOM 391 CD LYS 54 14.883 11.630 27.391 1.00 0.00 ATOM 392 CE LYS 54 14.979 10.175 27.041 1.00 0.00 ATOM 393 NZ LYS 54 15.131 9.313 28.171 1.00 0.00 ATOM 394 O LYS 54 13.863 16.247 28.606 1.00 0.00 ATOM 395 C LYS 54 13.414 15.837 27.570 1.00 0.00 ATOM 396 N LEU 55 12.976 16.623 26.569 1.00 0.00 ATOM 397 CA LEU 55 13.063 18.065 26.676 1.00 0.00 ATOM 398 CB LEU 55 12.624 18.774 25.393 1.00 0.00 ATOM 399 CG LEU 55 12.777 20.307 25.442 1.00 0.00 ATOM 400 CD1 LEU 55 14.169 20.802 25.716 1.00 0.00 ATOM 401 CD2 LEU 55 12.290 20.878 24.096 1.00 0.00 ATOM 402 O LEU 55 12.672 19.450 28.622 1.00 0.00 ATOM 403 C LEU 55 12.219 18.599 27.844 1.00 0.00 ATOM 404 N VAL 56 10.998 18.105 27.973 1.00 0.00 ATOM 405 CA VAL 56 10.100 18.596 29.024 1.00 0.00 ATOM 406 CB VAL 56 8.669 18.001 28.835 1.00 0.00 ATOM 407 CG1 VAL 56 7.779 18.337 30.017 1.00 0.00 ATOM 408 CG2 VAL 56 8.050 18.560 27.551 1.00 0.00 ATOM 409 O VAL 56 10.655 19.100 31.303 1.00 0.00 ATOM 410 C VAL 56 10.696 18.274 30.390 1.00 0.00 ATOM 411 N LYS 57 11.250 17.073 30.529 1.00 0.00 ATOM 412 CA LYS 57 11.856 16.655 31.797 1.00 0.00 ATOM 413 CB LYS 57 12.355 15.271 31.779 1.00 0.00 ATOM 414 CG LYS 57 11.195 14.288 31.844 1.00 0.00 ATOM 415 CD LYS 57 11.619 12.842 31.686 1.00 0.00 ATOM 416 CE LYS 57 10.399 11.936 31.787 1.00 0.00 ATOM 417 NZ LYS 57 10.717 10.503 31.554 1.00 0.00 ATOM 418 O LYS 57 13.196 18.117 33.168 1.00 0.00 ATOM 419 C LYS 57 13.063 17.572 32.071 1.00 0.00 ATOM 420 N GLU 58 13.929 17.735 31.076 1.00 0.00 ATOM 421 CA GLU 58 15.104 18.585 31.228 1.00 0.00 ATOM 422 CB GLU 58 15.964 18.520 29.953 1.00 0.00 ATOM 423 CG GLU 58 16.715 17.201 29.824 1.00 0.00 ATOM 424 CD GLU 58 17.346 16.950 28.443 1.00 0.00 ATOM 425 OE1 GLU 58 17.234 17.796 27.535 1.00 0.00 ATOM 426 OE2 GLU 58 17.959 15.874 28.263 1.00 0.00 ATOM 427 O GLU 58 15.303 20.750 32.229 1.00 0.00 ATOM 428 C GLU 58 14.669 20.037 31.470 1.00 0.00 ATOM 429 N LEU 59 13.592 20.456 30.797 1.00 0.00 ATOM 430 CA LEU 59 13.050 21.797 30.932 1.00 0.00 ATOM 431 CB LEU 59 11.881 22.015 29.978 1.00 0.00 ATOM 432 CG LEU 59 11.208 23.392 30.061 1.00 0.00 ATOM 433 CD1 LEU 59 12.165 24.493 29.680 1.00 0.00 ATOM 434 CD2 LEU 59 10.015 23.381 29.168 1.00 0.00 ATOM 435 O LEU 59 12.887 23.082 32.957 1.00 0.00 ATOM 436 C LEU 59 12.581 22.044 32.382 1.00 0.00 ATOM 437 N ASN 60 11.843 21.074 32.957 1.00 0.00 ATOM 438 CA ASN 60 11.356 21.272 34.286 1.00 0.00 ATOM 439 CB ASN 60 10.491 20.099 34.778 1.00 0.00 ATOM 440 CG ASN 60 9.991 20.437 36.178 1.00 0.00 ATOM 441 ND2 ASN 60 10.173 19.486 37.132 1.00 0.00 ATOM 442 OD1 ASN 60 9.454 21.514 36.415 1.00 0.00 ATOM 443 O ASN 60 12.527 22.268 36.098 1.00 0.00 ATOM 444 C ASN 60 12.500 21.385 35.242 1.00 0.00 ATOM 445 N GLU 61 13.493 20.493 35.098 1.00 0.00 ATOM 446 CA GLU 61 14.561 20.408 36.048 1.00 0.00 ATOM 447 CB GLU 61 15.403 19.138 35.846 1.00 0.00 ATOM 448 CG GLU 61 14.603 17.851 36.075 1.00 0.00 ATOM 449 CD GLU 61 14.213 17.806 37.544 1.00 0.00 ATOM 450 OE1 GLU 61 15.105 17.503 38.381 1.00 0.00 ATOM 451 OE2 GLU 61 13.022 18.081 37.849 1.00 0.00 ATOM 452 O GLU 61 15.761 22.208 37.021 1.00 0.00 ATOM 453 C GLU 61 15.499 21.584 35.994 1.00 0.00 ATOM 454 N TYR 62 15.981 21.957 34.803 1.00 0.00 ATOM 455 CA TYR 62 17.012 22.987 34.729 1.00 0.00 ATOM 456 CB TYR 62 17.655 22.958 33.304 1.00 0.00 ATOM 457 CG TYR 62 18.749 21.930 33.149 1.00 0.00 ATOM 458 CD1 TYR 62 18.507 20.713 32.519 1.00 0.00 ATOM 459 CD2 TYR 62 20.027 22.169 33.652 1.00 0.00 ATOM 460 CE1 TYR 62 19.514 19.753 32.392 1.00 0.00 ATOM 461 CE2 TYR 62 21.041 21.216 33.532 1.00 0.00 ATOM 462 CZ TYR 62 20.775 20.013 32.901 1.00 0.00 ATOM 463 OH TYR 62 21.768 19.065 32.781 1.00 0.00 ATOM 464 O TYR 62 17.147 25.148 35.761 1.00 0.00 ATOM 465 C TYR 62 16.468 24.363 35.099 1.00 0.00 ATOM 466 N PHE 63 15.235 24.644 34.690 1.00 0.00 ATOM 467 CA PHE 63 14.617 25.905 35.008 1.00 0.00 ATOM 468 CB PHE 63 13.233 26.081 34.365 1.00 0.00 ATOM 469 CG PHE 63 12.460 27.251 34.916 1.00 0.00 ATOM 470 CD1 PHE 63 12.839 28.555 34.623 1.00 0.00 ATOM 471 CD2 PHE 63 11.394 27.049 35.789 1.00 0.00 ATOM 472 CE1 PHE 63 12.165 29.647 35.207 1.00 0.00 ATOM 473 CE2 PHE 63 10.725 28.128 36.369 1.00 0.00 ATOM 474 CZ PHE 63 11.113 29.426 36.079 1.00 0.00 ATOM 475 O PHE 63 14.736 27.144 37.063 1.00 0.00 ATOM 476 C PHE 63 14.508 26.059 36.525 1.00 0.00 ATOM 477 N GLU 64 14.161 24.973 37.211 1.00 0.00 ATOM 478 CA GLU 64 14.030 25.006 38.662 1.00 0.00 ATOM 479 CB GLU 64 13.544 23.655 39.181 1.00 0.00 ATOM 480 CG GLU 64 12.062 23.393 38.951 1.00 0.00 ATOM 481 CD GLU 64 11.525 22.201 39.730 1.00 0.00 ATOM 482 OE1 GLU 64 12.221 21.690 40.647 1.00 0.00 ATOM 483 OE2 GLU 64 10.387 21.766 39.419 1.00 0.00 ATOM 484 O GLU 64 15.444 26.154 40.210 1.00 0.00 ATOM 485 C GLU 64 15.368 25.281 39.337 1.00 0.00 ATOM 486 N LYS 65 16.427 24.573 38.934 1.00 0.00 ATOM 487 CA LYS 65 17.716 24.798 39.571 1.00 0.00 ATOM 488 CB LYS 65 18.781 23.911 39.019 1.00 0.00 ATOM 489 CG LYS 65 20.125 24.059 39.706 1.00 0.00 ATOM 490 CD LYS 65 20.006 23.897 41.218 1.00 0.00 ATOM 491 CE LYS 65 19.447 22.539 41.608 1.00 0.00 ATOM 492 NZ LYS 65 20.345 21.425 41.191 1.00 0.00 ATOM 493 O LYS 65 18.676 26.866 40.224 1.00 0.00 ATOM 494 C LYS 65 18.171 26.205 39.329 1.00 0.00 ATOM 495 N LYS 66 17.974 26.700 38.093 1.00 0.00 ATOM 496 CA LYS 66 18.330 28.051 37.820 1.00 0.00 ATOM 497 CB LYS 66 19.563 28.065 36.808 1.00 0.00 ATOM 498 CG LYS 66 20.882 27.446 37.317 1.00 0.00 ATOM 499 CD LYS 66 21.516 28.349 38.377 1.00 0.00 ATOM 500 CE LYS 66 22.762 27.733 39.034 1.00 0.00 ATOM 501 NZ LYS 66 23.482 26.772 38.186 1.00 0.00 ATOM 502 O LYS 66 16.547 28.929 36.527 1.00 0.00 ATOM 503 C LYS 66 17.114 28.885 37.617 1.00 0.00 ATOM 504 N GLU 67 16.665 29.564 38.685 1.00 0.00 ATOM 505 CA GLU 67 15.508 30.384 38.523 1.00 0.00 ATOM 506 CB GLU 67 15.148 31.179 39.782 1.00 0.00 ATOM 507 CG GLU 67 13.881 32.018 39.627 1.00 0.00 ATOM 508 CD GLU 67 13.923 33.095 40.701 1.00 0.00 ATOM 509 OE1 GLU 67 13.930 32.742 41.910 1.00 0.00 ATOM 510 OE2 GLU 67 13.966 34.297 40.320 1.00 0.00 ATOM 511 O GLU 67 16.827 32.022 37.444 1.00 0.00 ATOM 512 C GLU 67 15.781 31.375 37.448 1.00 0.00 ATOM 513 N VAL 68 14.883 31.537 36.510 1.00 0.00 ATOM 514 CA VAL 68 15.081 32.467 35.412 1.00 0.00 ATOM 515 CB VAL 68 14.563 31.897 34.067 1.00 0.00 ATOM 516 CG1 VAL 68 14.684 32.944 32.965 1.00 0.00 ATOM 517 CG2 VAL 68 15.352 30.653 33.695 1.00 0.00 ATOM 518 O VAL 68 13.038 33.687 35.695 1.00 0.00 ATOM 519 C VAL 68 14.268 33.731 35.640 1.00 0.00 TER END