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 1 Mon Jun 30 21:53:00 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 7.892 31.599 35.635 1.00 0.00 ATOM 2 CA MET 1 8.100 31.507 34.183 1.00 0.00 ATOM 3 CB MET 1 9.588 31.613 33.926 1.00 0.00 ATOM 4 CG MET 1 10.031 31.373 32.478 1.00 0.00 ATOM 5 SD MET 1 9.358 32.526 31.242 1.00 0.00 ATOM 6 CE MET 1 10.055 34.030 31.894 1.00 0.00 ATOM 7 O MET 1 7.624 29.158 34.309 1.00 0.00 ATOM 8 C MET 1 7.554 30.189 33.639 1.00 0.00 ATOM 9 N LYS 2 7.035 30.220 32.416 1.00 0.00 ATOM 10 CA LYS 2 6.497 29.038 31.816 1.00 0.00 ATOM 11 CB LYS 2 4.977 29.083 31.757 1.00 0.00 ATOM 12 CG LYS 2 4.379 28.799 33.115 1.00 0.00 ATOM 13 CD LYS 2 2.974 29.366 33.280 1.00 0.00 ATOM 14 CE LYS 2 2.548 29.273 34.745 1.00 0.00 ATOM 15 NZ LYS 2 1.107 29.593 34.985 1.00 0.00 ATOM 16 O LYS 2 7.225 29.898 29.698 1.00 0.00 ATOM 17 C LYS 2 6.983 28.900 30.377 1.00 0.00 ATOM 18 N ILE 3 7.125 27.662 29.914 1.00 0.00 ATOM 19 CA ILE 3 7.582 27.412 28.550 1.00 0.00 ATOM 20 CB ILE 3 8.672 26.345 28.596 1.00 0.00 ATOM 21 CG1 ILE 3 9.891 26.913 29.325 1.00 0.00 ATOM 22 CG2 ILE 3 9.051 25.972 27.156 1.00 0.00 ATOM 23 CD1 ILE 3 10.453 28.183 28.715 1.00 0.00 ATOM 24 O ILE 3 5.781 25.889 28.216 1.00 0.00 ATOM 25 C ILE 3 6.496 26.769 27.736 1.00 0.00 ATOM 26 N THR 4 6.362 27.205 26.487 1.00 0.00 ATOM 27 CA THR 4 5.344 26.654 25.600 1.00 0.00 ATOM 28 CB THR 4 4.474 27.727 24.974 1.00 0.00 ATOM 29 CG2 THR 4 3.398 27.140 24.047 1.00 0.00 ATOM 30 OG1 THR 4 3.856 28.417 26.045 1.00 0.00 ATOM 31 O THR 4 6.631 26.506 23.571 1.00 0.00 ATOM 32 C THR 4 6.096 25.912 24.499 1.00 0.00 ATOM 33 N LYS 5 5.979 24.601 24.612 1.00 0.00 ATOM 34 CA LYS 5 6.529 23.617 23.656 1.00 0.00 ATOM 35 CB LYS 5 6.105 22.282 24.864 1.00 0.00 ATOM 36 CG LYS 5 4.621 22.025 24.680 1.00 0.00 ATOM 37 CD LYS 5 4.226 20.719 25.352 1.00 0.00 ATOM 38 CE LYS 5 4.690 20.668 26.805 1.00 0.00 ATOM 39 NZ LYS 5 4.507 19.317 27.406 1.00 0.00 ATOM 40 O LYS 5 6.632 23.370 21.280 1.00 0.00 ATOM 41 C LYS 5 5.980 23.771 22.242 1.00 0.00 ATOM 42 N ASP 6 4.776 24.372 22.067 1.00 0.00 ATOM 43 CA ASP 6 4.172 24.541 20.750 1.00 0.00 ATOM 44 CB ASP 6 2.655 24.360 20.818 1.00 0.00 ATOM 45 CG ASP 6 2.257 23.007 21.300 1.00 0.00 ATOM 46 OD1 ASP 6 2.738 21.997 20.739 1.00 0.00 ATOM 47 OD2 ASP 6 1.457 22.866 22.238 1.00 0.00 ATOM 48 O ASP 6 4.075 26.117 18.961 1.00 0.00 ATOM 49 C ASP 6 4.458 25.885 20.104 1.00 0.00 ATOM 50 N MET 7 5.197 26.765 20.721 1.00 0.00 ATOM 51 CA MET 7 5.545 28.098 20.193 1.00 0.00 ATOM 52 CB MET 7 5.678 29.094 21.317 1.00 0.00 ATOM 53 CG MET 7 4.348 29.639 21.785 1.00 0.00 ATOM 54 SD MET 7 4.560 30.767 23.182 1.00 0.00 ATOM 55 CE MET 7 5.181 32.200 22.305 1.00 0.00 ATOM 56 O MET 7 7.734 27.156 19.954 1.00 0.00 ATOM 57 C MET 7 6.974 28.057 19.619 1.00 0.00 ATOM 58 N ILE 8 7.337 29.047 18.784 1.00 0.00 ATOM 59 CA ILE 8 8.711 29.159 18.255 1.00 0.00 ATOM 60 CB ILE 8 8.931 30.435 17.413 1.00 0.00 ATOM 61 CG1 ILE 8 7.986 30.543 16.200 1.00 0.00 ATOM 62 CG2 ILE 8 10.381 30.549 16.935 1.00 0.00 ATOM 63 CD1 ILE 8 8.047 29.382 15.188 1.00 0.00 ATOM 64 O ILE 8 9.357 29.786 20.503 1.00 0.00 ATOM 65 C ILE 8 9.654 29.171 19.470 1.00 0.00 ATOM 66 N ILE 9 10.757 28.439 19.349 1.00 0.00 ATOM 67 CA ILE 9 11.785 28.425 20.418 1.00 0.00 ATOM 68 CB ILE 9 13.033 27.631 20.015 1.00 0.00 ATOM 69 CG1 ILE 9 12.604 26.257 19.485 1.00 0.00 ATOM 70 CG2 ILE 9 13.940 27.430 21.228 1.00 0.00 ATOM 71 CD1 ILE 9 13.711 25.196 19.468 1.00 0.00 ATOM 72 O ILE 9 12.631 30.102 21.909 1.00 0.00 ATOM 73 C ILE 9 12.281 29.826 20.761 1.00 0.00 ATOM 74 N ALA 10 12.365 30.690 19.753 1.00 0.00 ATOM 75 CA ALA 10 12.835 32.095 19.964 1.00 0.00 ATOM 76 CB ALA 10 12.739 32.918 18.661 1.00 0.00 ATOM 77 O ALA 10 12.391 33.539 21.842 1.00 0.00 ATOM 78 C ALA 10 11.912 32.823 20.961 1.00 0.00 ATOM 79 N ASP 11 10.603 32.662 20.795 1.00 0.00 ATOM 80 CA ASP 11 9.643 33.304 21.684 1.00 0.00 ATOM 81 CB ASP 11 8.212 33.036 21.332 1.00 0.00 ATOM 82 CG ASP 11 7.885 33.766 20.067 1.00 0.00 ATOM 83 OD1 ASP 11 8.520 34.673 19.504 1.00 0.00 ATOM 84 OD2 ASP 11 6.831 33.344 19.477 1.00 0.00 ATOM 85 O ASP 11 9.819 33.578 24.067 1.00 0.00 ATOM 86 C ASP 11 9.802 32.790 23.112 1.00 0.00 ATOM 87 N VAL 12 10.030 31.485 23.215 1.00 0.00 ATOM 88 CA VAL 12 10.301 30.840 24.521 1.00 0.00 ATOM 89 CB VAL 12 10.505 29.314 24.342 1.00 0.00 ATOM 90 CG1 VAL 12 10.961 28.655 25.628 1.00 0.00 ATOM 91 CG2 VAL 12 9.241 28.665 23.857 1.00 0.00 ATOM 92 O VAL 12 11.576 31.788 26.359 1.00 0.00 ATOM 93 C VAL 12 11.565 31.447 25.168 1.00 0.00 ATOM 94 N LEU 13 12.635 31.582 24.391 1.00 0.00 ATOM 95 CA LEU 13 13.893 32.104 24.908 1.00 0.00 ATOM 96 CB LEU 13 14.738 32.501 23.489 1.00 0.00 ATOM 97 CG LEU 13 16.221 32.934 23.550 1.00 0.00 ATOM 98 CD1 LEU 13 17.141 31.688 23.792 1.00 0.00 ATOM 99 CD2 LEU 13 16.587 33.703 22.259 1.00 0.00 ATOM 100 O LEU 13 14.464 34.001 26.248 1.00 0.00 ATOM 101 C LEU 13 13.768 33.563 25.331 1.00 0.00 ATOM 102 N GLN 14 13.087 34.363 24.516 1.00 0.00 ATOM 103 CA GLN 14 12.901 35.783 24.821 1.00 0.00 ATOM 104 CB GLN 14 12.167 36.537 23.790 1.00 0.00 ATOM 105 CG GLN 14 12.158 38.042 24.077 1.00 0.00 ATOM 106 CD GLN 14 13.552 38.634 24.205 1.00 0.00 ATOM 107 OE1 GLN 14 14.445 38.363 23.387 1.00 0.00 ATOM 108 NE2 GLN 14 13.747 39.463 25.224 1.00 0.00 ATOM 109 O GLN 14 12.594 36.600 27.061 1.00 0.00 ATOM 110 C GLN 14 12.174 35.870 26.162 1.00 0.00 ATOM 111 N MET 15 11.127 35.087 26.311 1.00 0.00 ATOM 112 CA MET 15 10.364 35.086 27.555 1.00 0.00 ATOM 113 CB MET 15 9.108 34.219 27.463 1.00 0.00 ATOM 114 CG MET 15 8.008 34.873 26.615 1.00 0.00 ATOM 115 SD MET 15 6.404 34.007 26.769 1.00 0.00 ATOM 116 CE MET 15 6.768 32.430 26.030 1.00 0.00 ATOM 117 O MET 15 11.618 35.470 29.523 1.00 0.00 ATOM 118 C MET 15 11.263 34.625 28.717 1.00 0.00 ATOM 119 N ASP 16 11.972 33.508 28.507 1.00 0.00 ATOM 120 CA ASP 16 12.854 32.948 29.535 1.00 0.00 ATOM 121 CB ASP 16 12.341 31.554 29.930 1.00 0.00 ATOM 122 CG ASP 16 12.917 31.057 31.249 1.00 0.00 ATOM 123 OD1 ASP 16 13.869 31.678 31.779 1.00 0.00 ATOM 124 OD2 ASP 16 12.416 30.021 31.750 1.00 0.00 ATOM 125 O ASP 16 14.697 31.818 28.497 1.00 0.00 ATOM 126 C ASP 16 14.292 32.830 29.069 1.00 0.00 ATOM 127 N ARG 17 15.114 33.847 29.385 1.00 0.00 ATOM 128 CA ARG 17 16.505 33.852 28.947 1.00 0.00 ATOM 129 CB ARG 17 16.957 35.273 29.240 1.00 0.00 ATOM 130 CG ARG 17 18.437 35.611 29.047 1.00 0.00 ATOM 131 CD ARG 17 19.007 35.451 27.655 1.00 0.00 ATOM 132 NE ARG 17 20.292 36.169 27.712 1.00 0.00 ATOM 133 CZ ARG 17 21.283 35.993 26.854 1.00 0.00 ATOM 134 NH1 ARG 17 21.237 35.106 25.867 1.00 0.00 ATOM 135 NH2 ARG 17 22.285 36.820 26.903 1.00 0.00 ATOM 136 O ARG 17 18.099 32.061 28.945 1.00 0.00 ATOM 137 C ARG 17 17.278 32.708 29.595 1.00 0.00 ATOM 138 N GLY 18 16.957 32.411 30.851 1.00 0.00 ATOM 139 CA GLY 18 17.643 31.303 31.600 1.00 0.00 ATOM 140 O GLY 18 18.240 28.984 31.269 1.00 0.00 ATOM 141 C GLY 18 17.412 29.870 31.054 1.00 0.00 ATOM 142 N THR 19 16.334 29.682 30.294 1.00 0.00 ATOM 143 CA THR 19 16.030 28.374 29.729 1.00 0.00 ATOM 144 CB THR 19 14.508 28.197 29.553 1.00 0.00 ATOM 145 CG2 THR 19 13.945 29.006 28.394 1.00 0.00 ATOM 146 OG1 THR 19 14.183 26.827 29.320 1.00 0.00 ATOM 147 O THR 19 16.818 26.847 28.083 1.00 0.00 ATOM 148 C THR 19 16.912 27.982 28.549 1.00 0.00 ATOM 149 N ALA 20 17.556 28.972 27.853 1.00 0.00 ATOM 150 CA ALA 20 18.406 28.692 26.696 1.00 0.00 ATOM 151 CB ALA 20 18.933 30.070 26.153 1.00 0.00 ATOM 152 O ALA 20 19.859 26.869 26.204 1.00 0.00 ATOM 153 C ALA 20 19.521 27.693 27.065 1.00 0.00 ATOM 154 N PRO 21 20.224 27.866 28.204 1.00 0.00 ATOM 155 CA PRO 21 21.276 26.923 28.627 1.00 0.00 ATOM 156 CB PRO 21 21.618 27.252 30.019 1.00 0.00 ATOM 157 CG PRO 21 21.473 28.738 30.049 1.00 0.00 ATOM 158 CD PRO 21 20.223 28.990 29.257 1.00 0.00 ATOM 159 O PRO 21 21.457 24.574 28.182 1.00 0.00 ATOM 160 C PRO 21 20.765 25.487 28.633 1.00 0.00 ATOM 161 N ILE 22 19.505 25.309 29.019 1.00 0.00 ATOM 162 CA ILE 22 18.894 23.960 29.063 1.00 0.00 ATOM 163 CB ILE 22 17.555 24.039 29.899 1.00 0.00 ATOM 164 CG1 ILE 22 17.783 24.616 31.317 1.00 0.00 ATOM 165 CG2 ILE 22 16.904 22.633 29.989 1.00 0.00 ATOM 166 CD1 ILE 22 18.810 23.887 32.225 1.00 0.00 ATOM 167 O ILE 22 18.931 22.298 27.334 1.00 0.00 ATOM 168 C ILE 22 18.631 23.450 27.651 1.00 0.00 ATOM 169 N PHE 23 18.074 24.309 26.803 1.00 0.00 ATOM 170 CA PHE 23 17.777 23.928 25.414 1.00 0.00 ATOM 171 CB PHE 23 17.083 25.088 24.711 1.00 0.00 ATOM 172 CG PHE 23 15.682 25.358 25.252 1.00 0.00 ATOM 173 CD1 PHE 23 14.999 24.429 26.047 1.00 0.00 ATOM 174 CD2 PHE 23 15.075 26.546 24.907 1.00 0.00 ATOM 175 CE1 PHE 23 13.725 24.720 26.507 1.00 0.00 ATOM 176 CE2 PHE 23 13.797 26.823 25.366 1.00 0.00 ATOM 177 CZ PHE 23 13.116 25.915 26.175 1.00 0.00 ATOM 178 O PHE 23 18.980 22.668 23.765 1.00 0.00 ATOM 179 C PHE 23 19.020 23.564 24.610 1.00 0.00 ATOM 180 N ILE 24 20.123 24.256 24.874 1.00 0.00 ATOM 181 CA ILE 24 21.368 23.990 24.168 1.00 0.00 ATOM 182 CB ILE 24 22.396 25.195 24.454 1.00 0.00 ATOM 183 CG1 ILE 24 21.934 26.488 23.790 1.00 0.00 ATOM 184 CG2 ILE 24 23.808 24.809 24.041 1.00 0.00 ATOM 185 CD1 ILE 24 22.688 27.687 24.342 1.00 0.00 ATOM 186 O ILE 24 22.566 21.978 23.572 1.00 0.00 ATOM 187 C ILE 24 21.868 22.545 24.413 1.00 0.00 ATOM 188 N ASN 25 21.506 21.971 25.556 1.00 0.00 ATOM 189 CA ASN 25 21.921 20.612 25.883 1.00 0.00 ATOM 190 CB ASN 25 22.061 20.523 27.401 1.00 0.00 ATOM 191 CG ASN 25 23.318 21.252 27.842 1.00 0.00 ATOM 192 ND2 ASN 25 23.315 21.676 29.085 1.00 0.00 ATOM 193 OD1 ASN 25 24.233 21.483 27.069 1.00 0.00 ATOM 194 O ASN 25 21.155 18.387 25.413 1.00 0.00 ATOM 195 C ASN 25 20.899 19.592 25.393 1.00 0.00 ATOM 196 N ASN 26 19.741 20.076 24.955 1.00 0.00 ATOM 197 CA ASN 26 18.679 19.186 24.455 1.00 0.00 ATOM 198 CB ASN 26 17.460 19.475 25.296 1.00 0.00 ATOM 199 CG ASN 26 17.687 19.084 26.718 1.00 0.00 ATOM 200 ND2 ASN 26 17.390 19.977 27.627 1.00 0.00 ATOM 201 OD1 ASN 26 18.144 17.988 26.990 1.00 0.00 ATOM 202 O ASN 26 17.362 18.975 22.455 1.00 0.00 ATOM 203 C ASN 26 18.477 19.177 22.935 1.00 0.00 ATOM 204 N GLY 27 19.556 19.393 22.189 1.00 0.00 ATOM 205 CA GLY 27 19.477 19.404 20.733 1.00 0.00 ATOM 206 O GLY 27 18.883 20.821 18.871 1.00 0.00 ATOM 207 C GLY 27 19.037 20.719 20.077 1.00 0.00 ATOM 208 N MET 28 19.073 21.817 20.817 1.00 0.00 ATOM 209 CA MET 28 18.773 23.150 20.256 1.00 0.00 ATOM 210 CB MET 28 17.639 23.772 21.085 1.00 0.00 ATOM 211 CG MET 28 16.346 22.976 21.090 1.00 0.00 ATOM 212 SD MET 28 15.151 23.733 22.244 1.00 0.00 ATOM 213 CE MET 28 13.846 22.535 22.131 1.00 0.00 ATOM 214 O MET 28 19.906 25.252 20.613 1.00 0.00 ATOM 215 C MET 28 19.991 24.077 20.313 1.00 0.00 ATOM 216 N HIS 29 21.172 23.517 20.356 1.00 0.00 ATOM 217 CA HIS 29 22.440 24.278 20.430 1.00 0.00 ATOM 218 CB HIS 29 23.379 22.743 20.747 1.00 0.00 ATOM 219 CG HIS 29 23.981 22.455 19.414 1.00 0.00 ATOM 220 CD2 HIS 29 25.216 22.745 18.931 1.00 0.00 ATOM 221 ND1 HIS 29 23.290 21.881 18.383 1.00 0.00 ATOM 222 CE1 HIS 29 24.092 21.792 17.328 1.00 0.00 ATOM 223 NE2 HIS 29 25.266 22.300 17.626 1.00 0.00 ATOM 224 O HIS 29 23.445 26.168 19.296 1.00 0.00 ATOM 225 C HIS 29 22.654 25.230 19.238 1.00 0.00 ATOM 226 N CYS 30 21.990 24.906 18.125 1.00 0.00 ATOM 227 CA CYS 30 21.938 25.706 16.888 1.00 0.00 ATOM 228 CB CYS 30 20.948 24.963 15.992 1.00 0.00 ATOM 229 SG CYS 30 19.232 24.782 16.624 1.00 0.00 ATOM 230 O CYS 30 21.923 28.033 16.326 1.00 0.00 ATOM 231 C CYS 30 21.513 27.157 17.089 1.00 0.00 ATOM 232 N LEU 31 20.530 27.373 17.958 1.00 0.00 ATOM 233 CA LEU 31 20.023 28.757 18.245 1.00 0.00 ATOM 234 CB LEU 31 18.855 28.730 19.264 1.00 0.00 ATOM 235 CG LEU 31 18.379 27.405 19.858 1.00 0.00 ATOM 236 CD1 LEU 31 17.949 27.570 21.319 1.00 0.00 ATOM 237 CD2 LEU 31 17.282 26.739 19.039 1.00 0.00 ATOM 238 O LEU 31 22.129 29.935 18.287 1.00 0.00 ATOM 239 C LEU 31 21.208 29.449 18.920 1.00 0.00 ATOM 240 N GLY 32 21.472 28.928 20.129 1.00 0.00 ATOM 241 CA GLY 32 22.357 29.619 21.041 1.00 0.00 ATOM 242 O GLY 32 21.042 31.181 22.293 1.00 0.00 ATOM 243 C GLY 32 21.404 30.798 21.181 1.00 0.00 ATOM 244 N CYS 33 20.854 31.410 20.060 1.00 0.00 ATOM 245 CA CYS 33 19.928 32.535 20.035 1.00 0.00 ATOM 246 CB CYS 33 20.679 33.770 20.601 1.00 0.00 ATOM 247 SG CYS 33 20.502 33.975 22.394 1.00 0.00 ATOM 248 O CYS 33 18.179 33.398 18.625 1.00 0.00 ATOM 249 C CYS 33 19.286 32.871 18.668 1.00 0.00 ATOM 250 N PRO 34 20.020 32.607 17.532 1.00 0.00 ATOM 251 CA PRO 34 19.322 32.942 16.280 1.00 0.00 ATOM 252 CB PRO 34 20.530 33.177 15.270 1.00 0.00 ATOM 253 CG PRO 34 21.731 32.500 15.949 1.00 0.00 ATOM 254 CD PRO 34 21.471 32.764 17.401 1.00 0.00 ATOM 255 O PRO 34 17.390 32.052 15.121 1.00 0.00 ATOM 256 C PRO 34 18.471 31.805 15.683 1.00 0.00 ATOM 257 N SER 35 18.940 30.536 15.713 1.00 0.00 ATOM 258 CA SER 35 18.199 29.415 15.120 1.00 0.00 ATOM 259 CB SER 35 19.005 28.163 15.082 1.00 0.00 ATOM 260 OG SER 35 20.112 28.357 14.222 1.00 0.00 ATOM 261 O SER 35 16.154 28.249 15.597 1.00 0.00 ATOM 262 C SER 35 16.906 29.170 15.915 1.00 0.00 ATOM 263 N SER 36 16.780 29.822 17.066 1.00 0.00 ATOM 264 CA SER 36 15.593 29.665 17.900 1.00 0.00 ATOM 265 CB SER 36 15.705 30.603 19.095 1.00 0.00 ATOM 266 OG SER 36 15.706 31.960 18.697 1.00 0.00 ATOM 267 O SER 36 13.341 29.251 17.184 1.00 0.00 ATOM 268 C SER 36 14.335 29.972 17.095 1.00 0.00 ATOM 269 N MET 37 14.381 31.043 16.308 1.00 0.00 ATOM 270 CA MET 37 13.233 31.433 15.488 1.00 0.00 ATOM 271 CB MET 37 13.262 32.937 15.229 1.00 0.00 ATOM 272 CG MET 37 11.936 33.420 14.647 1.00 0.00 ATOM 273 SD MET 37 11.622 35.222 14.749 1.00 0.00 ATOM 274 CE MET 37 10.993 35.292 16.406 1.00 0.00 ATOM 275 O MET 37 14.210 29.810 13.996 1.00 0.00 ATOM 276 C MET 37 13.200 30.439 14.311 1.00 0.00 ATOM 277 N GLY 38 12.041 30.307 13.672 1.00 0.00 ATOM 278 CA GLY 38 11.900 29.396 12.542 1.00 0.00 ATOM 279 O GLY 38 11.113 27.230 12.035 1.00 0.00 ATOM 280 C GLY 38 11.462 28.005 12.904 1.00 0.00 ATOM 281 N GLU 39 11.330 27.766 14.232 1.00 0.00 ATOM 282 CA GLU 39 10.909 26.465 14.681 1.00 0.00 ATOM 283 CB GLU 39 12.081 25.474 14.686 1.00 0.00 ATOM 284 CG GLU 39 12.661 25.093 13.314 1.00 0.00 ATOM 285 CD GLU 39 11.777 24.257 12.396 1.00 0.00 ATOM 286 OE1 GLU 39 12.044 24.257 11.181 1.00 0.00 ATOM 287 OE2 GLU 39 10.927 23.527 12.943 1.00 0.00 ATOM 288 O GLU 39 11.127 27.056 16.988 1.00 0.00 ATOM 289 C GLU 39 10.463 26.463 16.139 1.00 0.00 ATOM 290 N SER 40 9.495 25.611 16.461 1.00 0.00 ATOM 291 CA SER 40 8.978 25.517 17.846 1.00 0.00 ATOM 292 CB SER 40 7.509 25.084 17.874 1.00 0.00 ATOM 293 OG SER 40 7.302 23.853 17.219 1.00 0.00 ATOM 294 O SER 40 10.639 23.788 17.953 1.00 0.00 ATOM 295 C SER 40 9.769 24.421 18.553 1.00 0.00 ATOM 296 N ILE 41 9.520 24.249 19.848 1.00 0.00 ATOM 297 CA ILE 41 10.229 23.205 20.652 1.00 0.00 ATOM 298 CB ILE 41 9.788 23.248 22.118 1.00 0.00 ATOM 299 CG1 ILE 41 10.431 24.474 22.801 1.00 0.00 ATOM 300 CG2 ILE 41 10.164 21.924 22.831 1.00 0.00 ATOM 301 CD1 ILE 41 9.840 24.775 24.185 1.00 0.00 ATOM 302 O ILE 41 10.890 21.055 19.816 1.00 0.00 ATOM 303 C ILE 41 9.962 21.833 20.042 1.00 0.00 ATOM 304 N GLU 42 8.694 21.537 19.775 1.00 0.00 ATOM 305 CA GLU 42 8.315 20.239 19.182 1.00 0.00 ATOM 306 CB GLU 42 6.819 20.075 19.036 1.00 0.00 ATOM 307 CG GLU 42 6.126 19.671 20.327 1.00 0.00 ATOM 308 CD GLU 42 4.624 19.417 20.147 1.00 0.00 ATOM 309 OE1 GLU 42 3.985 19.013 21.140 1.00 0.00 ATOM 310 OE2 GLU 42 4.089 19.623 19.028 1.00 0.00 ATOM 311 O GLU 42 9.588 19.064 17.494 1.00 0.00 ATOM 312 C GLU 42 8.968 20.089 17.782 1.00 0.00 ATOM 313 N ASP 43 8.820 21.104 16.938 1.00 0.00 ATOM 314 CA ASP 43 9.399 21.064 15.600 1.00 0.00 ATOM 315 CB ASP 43 9.111 22.345 14.809 1.00 0.00 ATOM 316 CG ASP 43 7.707 22.422 14.226 1.00 0.00 ATOM 317 OD1 ASP 43 7.084 21.337 14.115 1.00 0.00 ATOM 318 OD2 ASP 43 7.329 23.537 13.815 1.00 0.00 ATOM 319 O ASP 43 11.506 20.115 14.964 1.00 0.00 ATOM 320 C ASP 43 10.912 20.906 15.696 1.00 0.00 ATOM 321 N ALA 44 11.524 21.654 16.600 1.00 0.00 ATOM 322 CA ALA 44 12.967 21.580 16.783 1.00 0.00 ATOM 323 CB ALA 44 13.329 22.671 17.807 1.00 0.00 ATOM 324 O ALA 44 14.415 19.669 16.745 1.00 0.00 ATOM 325 C ALA 44 13.414 20.193 17.232 1.00 0.00 ATOM 326 N CYS 45 12.669 19.602 18.161 1.00 0.00 ATOM 327 CA CYS 45 13.001 18.260 18.670 1.00 0.00 ATOM 328 CB CYS 45 12.018 17.861 19.735 1.00 0.00 ATOM 329 SG CYS 45 12.421 18.590 21.386 1.00 0.00 ATOM 330 O CYS 45 13.772 16.359 17.429 1.00 0.00 ATOM 331 C CYS 45 12.911 17.230 17.551 1.00 0.00 ATOM 332 N ALA 46 11.868 17.333 16.733 1.00 0.00 ATOM 333 CA ALA 46 11.681 16.402 15.625 1.00 0.00 ATOM 334 CB ALA 46 10.304 16.656 15.035 1.00 0.00 ATOM 335 O ALA 46 13.573 15.546 14.410 1.00 0.00 ATOM 336 C ALA 46 12.871 16.528 14.658 1.00 0.00 ATOM 337 N VAL 47 13.286 17.739 14.387 1.00 0.00 ATOM 338 CA VAL 47 14.394 17.988 13.469 1.00 0.00 ATOM 339 CB VAL 47 14.330 19.438 12.901 1.00 0.00 ATOM 340 CG1 VAL 47 13.034 19.608 12.009 1.00 0.00 ATOM 341 CG2 VAL 47 14.513 20.532 13.995 1.00 0.00 ATOM 342 O VAL 47 16.701 17.303 13.296 1.00 0.00 ATOM 343 C VAL 47 15.778 17.614 14.052 1.00 0.00 ATOM 344 N HIS 48 15.967 17.846 15.346 1.00 0.00 ATOM 345 CA HIS 48 17.234 17.526 15.994 1.00 0.00 ATOM 346 CB HIS 48 17.762 18.958 16.564 1.00 0.00 ATOM 347 CG HIS 48 18.486 19.880 15.607 1.00 0.00 ATOM 348 CD2 HIS 48 18.911 21.150 15.794 1.00 0.00 ATOM 349 ND1 HIS 48 18.846 19.546 14.315 1.00 0.00 ATOM 350 CE1 HIS 48 19.477 20.567 13.758 1.00 0.00 ATOM 351 NE2 HIS 48 19.532 21.552 14.636 1.00 0.00 ATOM 352 O HIS 48 18.266 15.734 17.207 1.00 0.00 ATOM 353 C HIS 48 17.254 16.141 16.650 1.00 0.00 ATOM 354 N GLY 49 16.216 15.321 16.463 1.00 0.00 ATOM 355 CA GLY 49 16.247 13.953 16.970 1.00 0.00 ATOM 356 O GLY 49 16.921 13.023 19.063 1.00 0.00 ATOM 357 C GLY 49 16.257 13.892 18.495 1.00 0.00 ATOM 358 N ILE 50 15.669 14.903 19.133 1.00 0.00 ATOM 359 CA ILE 50 15.591 14.900 20.593 1.00 0.00 ATOM 360 CB ILE 50 16.058 16.264 21.167 1.00 0.00 ATOM 361 CG1 ILE 50 17.568 16.422 20.975 1.00 0.00 ATOM 362 CG2 ILE 50 15.727 16.361 22.661 1.00 0.00 ATOM 363 CD1 ILE 50 18.380 15.454 21.822 1.00 0.00 ATOM 364 O ILE 50 13.230 15.335 20.552 1.00 0.00 ATOM 365 C ILE 50 14.139 14.615 20.972 1.00 0.00 ATOM 366 N ASP 51 13.922 13.564 21.756 1.00 0.00 ATOM 367 CA ASP 51 12.575 13.204 22.180 1.00 0.00 ATOM 368 CB ASP 51 12.539 11.928 23.032 1.00 0.00 ATOM 369 CG ASP 51 12.827 10.654 22.237 1.00 0.00 ATOM 370 OD1 ASP 51 12.899 10.779 21.014 1.00 0.00 ATOM 371 OD2 ASP 51 13.181 9.625 22.862 1.00 0.00 ATOM 372 O ASP 51 12.651 14.957 23.823 1.00 0.00 ATOM 373 C ASP 51 11.958 14.333 23.019 1.00 0.00 ATOM 374 N ALA 52 10.724 14.711 22.699 1.00 0.00 ATOM 375 CA ALA 52 10.045 15.774 23.431 1.00 0.00 ATOM 376 CB ALA 52 8.632 15.943 22.957 1.00 0.00 ATOM 377 O ALA 52 10.193 16.409 25.739 1.00 0.00 ATOM 378 C ALA 52 10.065 15.490 24.929 1.00 0.00 ATOM 379 N ASP 53 9.946 14.218 25.293 1.00 0.00 ATOM 380 CA ASP 53 9.953 13.810 26.734 1.00 0.00 ATOM 381 CB ASP 53 9.917 12.316 26.878 1.00 0.00 ATOM 382 CG ASP 53 8.712 11.710 26.226 1.00 0.00 ATOM 383 OD1 ASP 53 8.137 12.353 25.324 1.00 0.00 ATOM 384 OD2 ASP 53 8.264 10.591 26.553 1.00 0.00 ATOM 385 O ASP 53 11.309 14.641 28.542 1.00 0.00 ATOM 386 C ASP 53 11.285 14.202 27.393 1.00 0.00 ATOM 387 N LYS 54 12.385 14.023 26.665 1.00 0.00 ATOM 388 CA LYS 54 13.701 14.364 27.192 1.00 0.00 ATOM 389 CB LYS 54 14.796 14.014 26.182 1.00 0.00 ATOM 390 CG LYS 54 15.002 12.509 26.037 1.00 0.00 ATOM 391 CD LYS 54 16.128 12.236 25.036 1.00 0.00 ATOM 392 CE LYS 54 16.332 10.738 24.840 1.00 0.00 ATOM 393 NZ LYS 54 17.383 10.447 23.861 1.00 0.00 ATOM 394 O LYS 54 14.153 16.285 28.572 1.00 0.00 ATOM 395 C LYS 54 13.768 15.859 27.484 1.00 0.00 ATOM 396 N LEU 55 13.228 16.628 26.546 1.00 0.00 ATOM 397 CA LEU 55 13.176 18.089 26.680 1.00 0.00 ATOM 398 CB LEU 55 12.694 18.619 25.332 1.00 0.00 ATOM 399 CG LEU 55 13.429 19.847 24.780 1.00 0.00 ATOM 400 CD1 LEU 55 13.727 20.968 25.789 1.00 0.00 ATOM 401 CD2 LEU 55 14.676 19.319 24.085 1.00 0.00 ATOM 402 O LEU 55 12.645 19.406 28.614 1.00 0.00 ATOM 403 C LEU 55 12.293 18.506 27.851 1.00 0.00 ATOM 404 N VAL 56 11.145 17.851 27.992 1.00 0.00 ATOM 405 CA VAL 56 10.186 18.166 29.107 1.00 0.00 ATOM 406 CB VAL 56 8.891 17.371 28.974 1.00 0.00 ATOM 407 CG1 VAL 56 8.038 17.474 30.253 1.00 0.00 ATOM 408 CG2 VAL 56 8.101 17.891 27.745 1.00 0.00 ATOM 409 O VAL 56 10.765 18.687 31.395 1.00 0.00 ATOM 410 C VAL 56 10.846 17.871 30.477 1.00 0.00 ATOM 411 N LYS 57 11.490 16.714 30.596 1.00 0.00 ATOM 412 CA LYS 57 12.149 16.340 31.842 1.00 0.00 ATOM 413 CB LYS 57 12.824 14.971 31.757 1.00 0.00 ATOM 414 CG LYS 57 11.821 13.832 31.698 1.00 0.00 ATOM 415 CD LYS 57 12.552 12.509 31.604 1.00 0.00 ATOM 416 CE LYS 57 11.504 11.477 31.245 1.00 0.00 ATOM 417 NZ LYS 57 12.063 10.126 31.115 1.00 0.00 ATOM 418 O LYS 57 13.347 17.839 33.302 1.00 0.00 ATOM 419 C LYS 57 13.264 17.351 32.173 1.00 0.00 ATOM 420 N GLU 58 14.047 17.728 31.167 1.00 0.00 ATOM 421 CA GLU 58 15.131 18.683 31.370 1.00 0.00 ATOM 422 CB GLU 58 15.938 18.952 30.177 1.00 0.00 ATOM 423 CG GLU 58 16.930 17.871 29.870 1.00 0.00 ATOM 424 CD GLU 58 17.622 17.334 31.126 1.00 0.00 ATOM 425 OE1 GLU 58 18.572 17.925 31.779 1.00 0.00 ATOM 426 OE2 GLU 58 17.236 16.154 31.451 1.00 0.00 ATOM 427 O GLU 58 15.065 20.705 32.692 1.00 0.00 ATOM 428 C GLU 58 14.572 20.077 31.756 1.00 0.00 ATOM 429 N LEU 59 13.534 20.522 31.054 1.00 0.00 ATOM 430 CA LEU 59 12.933 21.821 31.339 1.00 0.00 ATOM 431 CB LEU 59 11.911 22.205 30.259 1.00 0.00 ATOM 432 CG LEU 59 11.198 23.537 30.529 1.00 0.00 ATOM 433 CD1 LEU 59 12.194 24.707 30.578 1.00 0.00 ATOM 434 CD2 LEU 59 10.112 23.723 29.488 1.00 0.00 ATOM 435 O LEU 59 12.310 22.949 33.366 1.00 0.00 ATOM 436 C LEU 59 12.307 21.892 32.736 1.00 0.00 ATOM 437 N ASN 60 11.679 20.802 33.163 1.00 0.00 ATOM 438 CA ASN 60 11.051 20.761 34.478 1.00 0.00 ATOM 439 CB ASN 60 10.288 19.489 34.729 1.00 0.00 ATOM 440 CG ASN 60 8.959 19.455 34.005 1.00 0.00 ATOM 441 ND2 ASN 60 8.436 18.265 33.879 1.00 0.00 ATOM 442 OD1 ASN 60 8.378 20.425 33.535 1.00 0.00 ATOM 443 O ASN 60 11.747 21.624 36.601 1.00 0.00 ATOM 444 C ASN 60 12.058 20.988 35.595 1.00 0.00 ATOM 445 N GLU 61 13.254 20.428 35.437 1.00 0.00 ATOM 446 CA GLU 61 14.298 20.583 36.442 1.00 0.00 ATOM 447 CB GLU 61 15.523 19.798 36.119 1.00 0.00 ATOM 448 CG GLU 61 15.310 18.303 36.259 1.00 0.00 ATOM 449 CD GLU 61 14.525 17.949 37.502 1.00 0.00 ATOM 450 OE1 GLU 61 14.836 18.480 38.591 1.00 0.00 ATOM 451 OE2 GLU 61 13.589 17.140 37.382 1.00 0.00 ATOM 452 O GLU 61 14.901 22.559 37.674 1.00 0.00 ATOM 453 C GLU 61 14.680 22.053 36.567 1.00 0.00 ATOM 454 N TYR 62 14.727 22.770 35.420 1.00 0.00 ATOM 455 CA TYR 62 15.039 24.198 35.443 1.00 0.00 ATOM 456 CB TYR 62 14.864 24.799 34.055 1.00 0.00 ATOM 457 CG TYR 62 15.237 26.289 34.026 1.00 0.00 ATOM 458 CD1 TYR 62 16.486 26.757 34.452 1.00 0.00 ATOM 459 CD2 TYR 62 14.283 27.196 33.594 1.00 0.00 ATOM 460 CE1 TYR 62 16.757 28.120 34.428 1.00 0.00 ATOM 461 CE2 TYR 62 14.555 28.544 33.577 1.00 0.00 ATOM 462 CZ TYR 62 15.798 29.016 33.984 1.00 0.00 ATOM 463 OH TYR 62 16.089 30.334 33.916 1.00 0.00 ATOM 464 O TYR 62 14.443 25.718 37.207 1.00 0.00 ATOM 465 C TYR 62 14.051 24.945 36.329 1.00 0.00 ATOM 466 N PHE 63 12.792 24.678 36.091 1.00 0.00 ATOM 467 CA PHE 63 11.743 25.328 36.858 1.00 0.00 ATOM 468 CB PHE 63 10.412 25.260 36.094 1.00 0.00 ATOM 469 CG PHE 63 10.435 26.242 34.918 1.00 0.00 ATOM 470 CD1 PHE 63 10.594 27.605 35.136 1.00 0.00 ATOM 471 CD2 PHE 63 10.288 25.775 33.621 1.00 0.00 ATOM 472 CE1 PHE 63 10.640 28.483 34.066 1.00 0.00 ATOM 473 CE2 PHE 63 10.312 26.667 32.569 1.00 0.00 ATOM 474 CZ PHE 63 10.489 28.023 32.771 1.00 0.00 ATOM 475 O PHE 63 11.290 25.572 39.203 1.00 0.00 ATOM 476 C PHE 63 11.682 24.832 38.299 1.00 0.00 ATOM 477 N GLU 64 12.055 23.573 38.509 1.00 0.00 ATOM 478 CA GLU 64 12.040 22.969 39.879 1.00 0.00 ATOM 479 CB GLU 64 12.381 21.441 39.734 1.00 0.00 ATOM 480 CG GLU 64 11.284 20.563 39.162 1.00 0.00 ATOM 481 CD GLU 64 10.306 20.064 40.207 1.00 0.00 ATOM 482 OE1 GLU 64 10.075 20.772 41.208 1.00 0.00 ATOM 483 OE2 GLU 64 9.755 18.962 40.011 1.00 0.00 ATOM 484 O GLU 64 12.773 23.422 42.070 1.00 0.00 ATOM 485 C GLU 64 12.919 23.691 40.879 1.00 0.00 ATOM 486 N LYS 65 14.096 24.083 40.448 1.00 0.00 ATOM 487 CA LYS 65 15.017 24.803 41.289 1.00 0.00 ATOM 488 CB LYS 65 16.434 24.159 41.085 1.00 0.00 ATOM 489 CG LYS 65 17.510 24.676 42.018 1.00 0.00 ATOM 490 CD LYS 65 17.107 24.531 43.482 1.00 0.00 ATOM 491 CE LYS 65 16.841 23.083 43.860 1.00 0.00 ATOM 492 NZ LYS 65 18.061 22.240 43.731 1.00 0.00 ATOM 493 O LYS 65 15.466 27.031 41.979 1.00 0.00 ATOM 494 C LYS 65 14.583 26.263 41.538 1.00 0.00 ATOM 495 N LYS 66 13.611 26.753 40.780 1.00 0.00 ATOM 496 CA LYS 66 13.089 28.146 40.884 1.00 0.00 ATOM 497 CB LYS 66 13.011 28.571 42.459 1.00 0.00 ATOM 498 CG LYS 66 12.421 27.560 43.436 1.00 0.00 ATOM 499 CD LYS 66 12.764 27.907 44.876 1.00 0.00 ATOM 500 CE LYS 66 11.929 29.083 45.384 1.00 0.00 ATOM 501 NZ LYS 66 10.575 28.657 45.880 1.00 0.00 ATOM 502 O LYS 66 13.338 30.429 40.210 1.00 0.00 ATOM 503 C LYS 66 13.822 29.297 40.202 1.00 0.00 ATOM 504 N GLU 67 14.864 28.971 39.444 1.00 0.00 ATOM 505 CA GLU 67 15.669 30.013 38.716 1.00 0.00 ATOM 506 CB GLU 67 17.154 29.652 38.815 1.00 0.00 ATOM 507 CG GLU 67 17.682 29.464 40.238 1.00 0.00 ATOM 508 CD GLU 67 17.382 30.660 41.120 1.00 0.00 ATOM 509 OE1 GLU 67 17.636 31.801 40.665 1.00 0.00 ATOM 510 OE2 GLU 67 16.906 30.476 42.275 1.00 0.00 ATOM 511 O GLU 67 14.966 29.384 36.527 1.00 0.00 ATOM 512 C GLU 67 15.116 30.294 37.342 1.00 0.00 ATOM 513 N VAL 68 14.875 31.569 37.054 1.00 0.00 ATOM 514 CA VAL 68 14.342 31.962 35.754 1.00 0.00 ATOM 515 CB VAL 68 12.927 32.553 35.831 1.00 0.00 ATOM 516 CG1 VAL 68 12.417 33.141 34.508 1.00 0.00 ATOM 517 CG2 VAL 68 11.964 31.434 36.248 1.00 0.00 ATOM 518 O VAL 68 16.400 33.187 35.791 1.00 0.00 ATOM 519 C VAL 68 15.398 32.894 35.113 1.00 0.00 TER END