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 5 Mon Jun 30 21:53:00 2008 MODEL 5 PARENT N/A ATOM 1 N MET 1 7.439 31.530 35.506 1.00 0.00 ATOM 2 CA MET 1 7.719 31.377 34.071 1.00 0.00 ATOM 3 CB MET 1 9.217 31.506 33.881 1.00 0.00 ATOM 4 CG MET 1 9.734 31.213 32.470 1.00 0.00 ATOM 5 SD MET 1 9.099 32.291 31.151 1.00 0.00 ATOM 6 CE MET 1 9.730 33.840 31.765 1.00 0.00 ATOM 7 O MET 1 7.154 29.075 34.341 1.00 0.00 ATOM 8 C MET 1 7.231 30.023 33.569 1.00 0.00 ATOM 9 N LYS 2 6.752 30.033 32.334 1.00 0.00 ATOM 10 CA LYS 2 6.248 28.829 31.658 1.00 0.00 ATOM 11 CB LYS 2 4.718 28.878 31.568 1.00 0.00 ATOM 12 CG LYS 2 4.197 30.084 30.782 1.00 0.00 ATOM 13 CD LYS 2 2.675 30.075 30.754 1.00 0.00 ATOM 14 CE LYS 2 2.168 31.308 30.031 1.00 0.00 ATOM 15 NZ LYS 2 0.705 31.279 30.004 1.00 0.00 ATOM 16 O LYS 2 7.201 29.735 29.656 1.00 0.00 ATOM 17 C LYS 2 6.870 28.724 30.264 1.00 0.00 ATOM 18 N ILE 3 6.931 27.496 29.762 1.00 0.00 ATOM 19 CA ILE 3 7.445 27.261 28.403 1.00 0.00 ATOM 20 CB ILE 3 8.755 26.437 28.458 1.00 0.00 ATOM 21 CG1 ILE 3 9.878 27.128 29.221 1.00 0.00 ATOM 22 CG2 ILE 3 9.261 26.025 27.086 1.00 0.00 ATOM 23 CD1 ILE 3 10.272 28.556 28.855 1.00 0.00 ATOM 24 O ILE 3 5.943 25.454 27.899 1.00 0.00 ATOM 25 C ILE 3 6.387 26.558 27.566 1.00 0.00 ATOM 26 N THR 4 6.203 27.127 26.386 1.00 0.00 ATOM 27 CA THR 4 5.262 26.566 25.397 1.00 0.00 ATOM 28 CB THR 4 4.369 27.636 24.798 1.00 0.00 ATOM 29 CG2 THR 4 3.318 27.053 23.839 1.00 0.00 ATOM 30 OG1 THR 4 3.721 28.272 25.887 1.00 0.00 ATOM 31 O THR 4 6.479 26.525 23.326 1.00 0.00 ATOM 32 C THR 4 6.038 25.886 24.274 1.00 0.00 ATOM 33 N LYS 5 5.967 24.568 24.347 1.00 0.00 ATOM 34 CA LYS 5 6.548 23.633 23.362 1.00 0.00 ATOM 35 CB LYS 5 6.199 22.182 23.711 1.00 0.00 ATOM 36 CG LYS 5 5.651 21.920 25.125 1.00 0.00 ATOM 37 CD LYS 5 5.306 20.455 25.344 1.00 0.00 ATOM 38 CE LYS 5 4.856 20.141 26.752 1.00 0.00 ATOM 39 NZ LYS 5 6.010 20.079 27.640 1.00 0.00 ATOM 40 O LYS 5 6.776 23.503 20.965 1.00 0.00 ATOM 41 C LYS 5 6.072 23.855 21.903 1.00 0.00 ATOM 42 N ASP 6 4.903 24.489 21.768 1.00 0.00 ATOM 43 CA ASP 6 4.243 24.675 20.464 1.00 0.00 ATOM 44 CB ASP 6 2.718 24.537 20.620 1.00 0.00 ATOM 45 CG ASP 6 2.299 23.161 21.180 1.00 0.00 ATOM 46 OD1 ASP 6 2.903 22.172 20.760 1.00 0.00 ATOM 47 OD2 ASP 6 1.559 23.143 22.191 1.00 0.00 ATOM 48 O ASP 6 4.381 26.158 18.592 1.00 0.00 ATOM 49 C ASP 6 4.601 25.992 19.788 1.00 0.00 ATOM 50 N MET 7 5.186 26.936 20.538 1.00 0.00 ATOM 51 CA MET 7 5.579 28.259 20.021 1.00 0.00 ATOM 52 CB MET 7 5.474 29.331 21.104 1.00 0.00 ATOM 53 CG MET 7 4.048 29.495 21.663 1.00 0.00 ATOM 54 SD MET 7 2.681 30.117 20.626 1.00 0.00 ATOM 55 CE MET 7 3.230 31.770 20.287 1.00 0.00 ATOM 56 O MET 7 7.795 27.384 19.827 1.00 0.00 ATOM 57 C MET 7 7.014 28.252 19.461 1.00 0.00 ATOM 58 N ILE 8 7.373 29.269 18.656 1.00 0.00 ATOM 59 CA ILE 8 8.751 29.412 18.145 1.00 0.00 ATOM 60 CB ILE 8 8.964 30.714 17.341 1.00 0.00 ATOM 61 CG1 ILE 8 8.031 30.844 16.123 1.00 0.00 ATOM 62 CG2 ILE 8 10.417 30.858 16.881 1.00 0.00 ATOM 63 CD1 ILE 8 8.114 29.713 15.080 1.00 0.00 ATOM 64 O ILE 8 9.357 29.962 20.424 1.00 0.00 ATOM 65 C ILE 8 9.679 29.396 19.370 1.00 0.00 ATOM 66 N ILE 9 10.797 28.690 19.237 1.00 0.00 ATOM 67 CA ILE 9 11.812 28.654 20.318 1.00 0.00 ATOM 68 CB ILE 9 13.020 27.758 19.961 1.00 0.00 ATOM 69 CG1 ILE 9 12.574 26.312 19.781 1.00 0.00 ATOM 70 CG2 ILE 9 14.116 27.828 21.043 1.00 0.00 ATOM 71 CD1 ILE 9 13.664 25.462 19.129 1.00 0.00 ATOM 72 O ILE 9 12.555 30.334 21.865 1.00 0.00 ATOM 73 C ILE 9 12.288 30.073 20.696 1.00 0.00 ATOM 74 N ALA 10 12.369 30.959 19.713 1.00 0.00 ATOM 75 CA ALA 10 12.807 32.348 19.950 1.00 0.00 ATOM 76 CB ALA 10 12.872 33.163 18.667 1.00 0.00 ATOM 77 O ALA 10 12.404 33.678 21.888 1.00 0.00 ATOM 78 C ALA 10 11.905 33.085 20.940 1.00 0.00 ATOM 79 N ASP 11 10.597 32.860 20.807 1.00 0.00 ATOM 80 CA ASP 11 9.617 33.445 21.746 1.00 0.00 ATOM 81 CB ASP 11 8.200 33.171 21.269 1.00 0.00 ATOM 82 CG ASP 11 7.838 33.904 19.986 1.00 0.00 ATOM 83 OD1 ASP 11 8.334 35.038 19.790 1.00 0.00 ATOM 84 OD2 ASP 11 7.047 33.310 19.222 1.00 0.00 ATOM 85 O ASP 11 9.820 33.651 24.129 1.00 0.00 ATOM 86 C ASP 11 9.777 32.888 23.156 1.00 0.00 ATOM 87 N VAL 12 10.030 31.584 23.218 1.00 0.00 ATOM 88 CA VAL 12 10.306 30.901 24.502 1.00 0.00 ATOM 89 CB VAL 12 10.538 29.398 24.268 1.00 0.00 ATOM 90 CG1 VAL 12 10.990 28.698 25.549 1.00 0.00 ATOM 91 CG2 VAL 12 9.245 28.700 23.819 1.00 0.00 ATOM 92 O VAL 12 11.478 31.860 26.375 1.00 0.00 ATOM 93 C VAL 12 11.528 31.542 25.186 1.00 0.00 ATOM 94 N LEU 13 12.610 31.649 24.422 1.00 0.00 ATOM 95 CA LEU 13 13.882 32.198 24.929 1.00 0.00 ATOM 96 CB LEU 13 14.949 32.201 23.849 1.00 0.00 ATOM 97 CG LEU 13 15.346 30.800 23.389 1.00 0.00 ATOM 98 CD1 LEU 13 16.340 30.965 22.259 1.00 0.00 ATOM 99 CD2 LEU 13 16.024 30.013 24.505 1.00 0.00 ATOM 100 O LEU 13 14.336 34.013 26.425 1.00 0.00 ATOM 101 C LEU 13 13.750 33.641 25.420 1.00 0.00 ATOM 102 N GLN 14 13.087 34.456 24.610 1.00 0.00 ATOM 103 CA GLN 14 12.852 35.867 24.969 1.00 0.00 ATOM 104 CB GLN 14 11.982 36.570 23.941 1.00 0.00 ATOM 105 CG GLN 14 12.731 36.671 22.633 1.00 0.00 ATOM 106 CD GLN 14 11.801 37.157 21.550 1.00 0.00 ATOM 107 OE1 GLN 14 11.131 38.147 21.758 1.00 0.00 ATOM 108 NE2 GLN 14 11.991 36.692 20.339 1.00 0.00 ATOM 109 O GLN 14 12.602 36.685 27.187 1.00 0.00 ATOM 110 C GLN 14 12.131 35.967 26.308 1.00 0.00 ATOM 111 N MET 15 11.086 35.150 26.442 1.00 0.00 ATOM 112 CA MET 15 10.338 35.082 27.701 1.00 0.00 ATOM 113 CB MET 15 9.082 34.213 27.596 1.00 0.00 ATOM 114 CG MET 15 7.977 34.886 26.772 1.00 0.00 ATOM 115 SD MET 15 6.376 34.013 26.917 1.00 0.00 ATOM 116 CE MET 15 6.739 32.453 26.140 1.00 0.00 ATOM 117 O MET 15 11.473 35.348 29.780 1.00 0.00 ATOM 118 C MET 15 11.249 34.599 28.843 1.00 0.00 ATOM 119 N ASP 16 11.955 33.486 28.607 1.00 0.00 ATOM 120 CA ASP 16 12.849 32.906 29.614 1.00 0.00 ATOM 121 CB ASP 16 12.308 31.525 29.999 1.00 0.00 ATOM 122 CG ASP 16 12.918 30.968 31.284 1.00 0.00 ATOM 123 OD1 ASP 16 13.909 31.545 31.786 1.00 0.00 ATOM 124 OD2 ASP 16 12.384 29.939 31.719 1.00 0.00 ATOM 125 O ASP 16 14.742 31.863 28.481 1.00 0.00 ATOM 126 C ASP 16 14.301 32.802 29.129 1.00 0.00 ATOM 127 N ARG 17 15.046 33.856 29.415 1.00 0.00 ATOM 128 CA ARG 17 16.473 33.907 29.034 1.00 0.00 ATOM 129 CB ARG 17 16.897 35.330 29.365 1.00 0.00 ATOM 130 CG ARG 17 18.367 35.705 29.177 1.00 0.00 ATOM 131 CD ARG 17 18.935 35.599 27.777 1.00 0.00 ATOM 132 NE ARG 17 20.203 36.342 27.850 1.00 0.00 ATOM 133 CZ ARG 17 21.194 36.212 26.984 1.00 0.00 ATOM 134 NH1 ARG 17 21.163 35.352 25.973 1.00 0.00 ATOM 135 NH2 ARG 17 22.178 37.061 27.053 1.00 0.00 ATOM 136 O ARG 17 18.206 32.244 29.010 1.00 0.00 ATOM 137 C ARG 17 17.317 32.795 29.673 1.00 0.00 ATOM 138 N GLY 18 16.966 32.428 30.907 1.00 0.00 ATOM 139 CA GLY 18 17.628 31.347 31.669 1.00 0.00 ATOM 140 O GLY 18 18.332 29.116 31.282 1.00 0.00 ATOM 141 C GLY 18 17.451 29.935 31.107 1.00 0.00 ATOM 142 N THR 19 16.450 29.728 30.261 1.00 0.00 ATOM 143 CA THR 19 16.188 28.395 29.695 1.00 0.00 ATOM 144 CB THR 19 14.670 28.173 29.530 1.00 0.00 ATOM 145 CG2 THR 19 14.070 28.991 28.395 1.00 0.00 ATOM 146 OG1 THR 19 14.389 26.800 29.268 1.00 0.00 ATOM 147 O THR 19 17.177 26.875 28.059 1.00 0.00 ATOM 148 C THR 19 17.011 28.042 28.425 1.00 0.00 ATOM 149 N ALA 20 17.622 29.057 27.808 1.00 0.00 ATOM 150 CA ALA 20 18.546 28.857 26.667 1.00 0.00 ATOM 151 CB ALA 20 19.091 30.190 26.136 1.00 0.00 ATOM 152 O ALA 20 20.038 27.076 26.128 1.00 0.00 ATOM 153 C ALA 20 19.736 27.929 26.975 1.00 0.00 ATOM 154 N PRO 21 20.383 28.038 28.156 1.00 0.00 ATOM 155 CA PRO 21 21.505 27.152 28.523 1.00 0.00 ATOM 156 CB PRO 21 21.922 27.594 29.927 1.00 0.00 ATOM 157 CG PRO 21 21.595 29.079 29.903 1.00 0.00 ATOM 158 CD PRO 21 20.272 29.114 29.147 1.00 0.00 ATOM 159 O PRO 21 21.766 24.834 28.014 1.00 0.00 ATOM 160 C PRO 21 21.070 25.689 28.548 1.00 0.00 ATOM 161 N ILE 22 19.839 25.442 28.979 1.00 0.00 ATOM 162 CA ILE 22 19.274 24.074 28.972 1.00 0.00 ATOM 163 CB ILE 22 17.955 24.005 29.729 1.00 0.00 ATOM 164 CG1 ILE 22 18.257 24.412 31.152 1.00 0.00 ATOM 165 CG2 ILE 22 17.285 22.604 29.655 1.00 0.00 ATOM 166 CD1 ILE 22 16.968 24.641 31.901 1.00 0.00 ATOM 167 O ILE 22 19.494 22.479 27.189 1.00 0.00 ATOM 168 C ILE 22 19.067 23.573 27.539 1.00 0.00 ATOM 169 N PHE 23 18.390 24.393 26.754 1.00 0.00 ATOM 170 CA PHE 23 18.000 24.032 25.375 1.00 0.00 ATOM 171 CB PHE 23 17.226 25.169 24.719 1.00 0.00 ATOM 172 CG PHE 23 15.840 25.374 25.325 1.00 0.00 ATOM 173 CD1 PHE 23 15.233 24.408 26.137 1.00 0.00 ATOM 174 CD2 PHE 23 15.169 26.538 25.020 1.00 0.00 ATOM 175 CE1 PHE 23 13.970 24.640 26.657 1.00 0.00 ATOM 176 CE2 PHE 23 13.904 26.756 25.539 1.00 0.00 ATOM 177 CZ PHE 23 13.296 25.810 26.365 1.00 0.00 ATOM 178 O PHE 23 19.056 22.738 23.647 1.00 0.00 ATOM 179 C PHE 23 19.153 23.650 24.456 1.00 0.00 ATOM 180 N ILE 24 20.249 24.378 24.621 1.00 0.00 ATOM 181 CA ILE 24 21.457 24.150 23.802 1.00 0.00 ATOM 182 CB ILE 24 22.423 25.341 23.893 1.00 0.00 ATOM 183 CG1 ILE 24 22.932 25.505 25.335 1.00 0.00 ATOM 184 CG2 ILE 24 21.735 26.600 23.344 1.00 0.00 ATOM 185 CD1 ILE 24 24.097 26.481 25.462 1.00 0.00 ATOM 186 O ILE 24 22.875 22.273 23.282 1.00 0.00 ATOM 187 C ILE 24 22.132 22.799 24.109 1.00 0.00 ATOM 188 N ASN 25 21.809 22.251 25.277 1.00 0.00 ATOM 189 CA ASN 25 22.188 20.883 25.661 1.00 0.00 ATOM 190 CB ASN 25 22.312 20.782 27.180 1.00 0.00 ATOM 191 CG ASN 25 23.546 21.533 27.644 1.00 0.00 ATOM 192 ND2 ASN 25 23.520 21.941 28.892 1.00 0.00 ATOM 193 OD1 ASN 25 24.468 21.790 26.886 1.00 0.00 ATOM 194 O ASN 25 21.445 18.629 25.369 1.00 0.00 ATOM 195 C ASN 25 21.197 19.815 25.204 1.00 0.00 ATOM 196 N ASN 26 20.089 20.252 24.631 1.00 0.00 ATOM 197 CA ASN 26 19.026 19.340 24.177 1.00 0.00 ATOM 198 CB ASN 26 17.737 19.755 24.868 1.00 0.00 ATOM 199 CG ASN 26 17.757 19.508 26.366 1.00 0.00 ATOM 200 ND2 ASN 26 17.012 20.328 27.057 1.00 0.00 ATOM 201 OD1 ASN 26 18.402 18.613 26.896 1.00 0.00 ATOM 202 O ASN 26 17.670 19.054 22.204 1.00 0.00 ATOM 203 C ASN 26 18.779 19.324 22.667 1.00 0.00 ATOM 204 N GLY 27 19.820 19.662 21.917 1.00 0.00 ATOM 205 CA GLY 27 19.735 19.669 20.447 1.00 0.00 ATOM 206 O GLY 27 18.887 21.098 18.684 1.00 0.00 ATOM 207 C GLY 27 19.228 20.987 19.852 1.00 0.00 ATOM 208 N MET 28 19.298 22.073 20.610 1.00 0.00 ATOM 209 CA MET 28 18.937 23.410 20.100 1.00 0.00 ATOM 210 CB MET 28 17.811 23.981 20.975 1.00 0.00 ATOM 211 CG MET 28 16.536 23.157 20.988 1.00 0.00 ATOM 212 SD MET 28 15.356 23.852 22.192 1.00 0.00 ATOM 213 CE MET 28 14.076 22.629 22.075 1.00 0.00 ATOM 214 O MET 28 20.035 25.570 20.239 1.00 0.00 ATOM 215 C MET 28 20.136 24.363 20.150 1.00 0.00 ATOM 216 N HIS 29 21.330 23.826 20.155 1.00 0.00 ATOM 217 CA HIS 29 22.583 24.615 20.218 1.00 0.00 ATOM 218 CB HIS 29 23.741 23.648 20.457 1.00 0.00 ATOM 219 CG HIS 29 25.110 24.268 20.640 1.00 0.00 ATOM 220 CD2 HIS 29 25.548 24.979 21.675 1.00 0.00 ATOM 221 ND1 HIS 29 26.072 24.225 19.732 1.00 0.00 ATOM 222 CE1 HIS 29 27.115 24.916 20.192 1.00 0.00 ATOM 223 NE2 HIS 29 26.772 25.382 21.386 1.00 0.00 ATOM 224 O HIS 29 23.383 26.639 19.183 1.00 0.00 ATOM 225 C HIS 29 22.770 25.585 19.037 1.00 0.00 ATOM 226 N CYS 30 22.046 25.308 17.950 1.00 0.00 ATOM 227 CA CYS 30 21.963 26.136 16.734 1.00 0.00 ATOM 228 CB CYS 30 20.968 25.397 15.842 1.00 0.00 ATOM 229 SG CYS 30 19.270 25.160 16.509 1.00 0.00 ATOM 230 O CYS 30 22.168 28.545 16.504 1.00 0.00 ATOM 231 C CYS 30 21.560 27.610 16.995 1.00 0.00 ATOM 232 N LEU 31 20.483 27.758 17.773 1.00 0.00 ATOM 233 CA LEU 31 19.976 29.049 18.282 1.00 0.00 ATOM 234 CB LEU 31 18.807 28.936 19.293 1.00 0.00 ATOM 235 CG LEU 31 18.357 27.568 19.800 1.00 0.00 ATOM 236 CD1 LEU 31 17.919 27.633 21.270 1.00 0.00 ATOM 237 CD2 LEU 31 17.274 26.935 18.939 1.00 0.00 ATOM 238 O LEU 31 21.432 30.916 18.745 1.00 0.00 ATOM 239 C LEU 31 21.084 29.785 19.035 1.00 0.00 ATOM 240 N GLY 32 21.477 29.163 20.134 1.00 0.00 ATOM 241 CA GLY 32 22.315 29.762 21.191 1.00 0.00 ATOM 242 O GLY 32 22.238 32.144 21.611 1.00 0.00 ATOM 243 C GLY 32 21.641 31.071 21.614 1.00 0.00 ATOM 244 N CYS 33 20.294 31.007 21.611 1.00 0.00 ATOM 245 CA CYS 33 19.381 32.133 21.343 1.00 0.00 ATOM 246 CB CYS 33 19.546 32.659 22.898 1.00 0.00 ATOM 247 SG CYS 33 18.627 33.306 24.428 1.00 0.00 ATOM 248 O CYS 33 20.155 33.819 20.288 1.00 0.00 ATOM 249 C CYS 33 19.690 32.780 19.824 1.00 0.00 ATOM 250 N PRO 34 19.547 32.802 18.331 1.00 0.00 ATOM 251 CA PRO 34 18.782 32.459 16.983 1.00 0.00 ATOM 252 CB PRO 34 19.257 33.350 15.809 1.00 0.00 ATOM 253 CG PRO 34 20.716 33.126 15.990 1.00 0.00 ATOM 254 CD PRO 34 20.717 33.348 17.530 1.00 0.00 ATOM 255 O PRO 34 17.247 31.707 15.166 1.00 0.00 ATOM 256 C PRO 34 18.227 31.459 15.888 1.00 0.00 ATOM 257 N SER 35 18.891 30.316 15.639 1.00 0.00 ATOM 258 CA SER 35 18.177 29.152 15.043 1.00 0.00 ATOM 259 CB SER 35 19.077 27.947 14.829 1.00 0.00 ATOM 260 OG SER 35 20.190 28.231 13.987 1.00 0.00 ATOM 261 O SER 35 15.982 28.248 15.574 1.00 0.00 ATOM 262 C SER 35 16.980 28.794 15.964 1.00 0.00 ATOM 263 N SER 36 16.899 29.564 17.038 1.00 0.00 ATOM 264 CA SER 36 15.748 29.684 17.940 1.00 0.00 ATOM 265 CB SER 36 15.977 30.794 18.970 1.00 0.00 ATOM 266 OG SER 36 16.191 32.083 18.407 1.00 0.00 ATOM 267 O SER 36 13.413 29.429 17.490 1.00 0.00 ATOM 268 C SER 36 14.457 30.002 17.184 1.00 0.00 ATOM 269 N MET 37 14.537 30.926 16.239 1.00 0.00 ATOM 270 CA MET 37 13.383 31.274 15.414 1.00 0.00 ATOM 271 CB MET 37 13.443 32.770 15.106 1.00 0.00 ATOM 272 CG MET 37 12.133 33.258 14.496 1.00 0.00 ATOM 273 SD MET 37 11.853 35.068 14.536 1.00 0.00 ATOM 274 CE MET 37 11.208 35.203 16.185 1.00 0.00 ATOM 275 O MET 37 14.457 29.956 13.750 1.00 0.00 ATOM 276 C MET 37 13.390 30.373 14.175 1.00 0.00 ATOM 277 N GLY 38 12.194 30.058 13.678 1.00 0.00 ATOM 278 CA GLY 38 12.042 29.170 12.520 1.00 0.00 ATOM 279 O GLY 38 11.537 26.968 12.006 1.00 0.00 ATOM 280 C GLY 38 11.602 27.771 12.925 1.00 0.00 ATOM 281 N GLU 39 11.336 27.533 14.215 1.00 0.00 ATOM 282 CA GLU 39 10.935 26.211 14.778 1.00 0.00 ATOM 283 CB GLU 39 12.091 25.205 14.800 1.00 0.00 ATOM 284 CG GLU 39 12.675 24.799 13.437 1.00 0.00 ATOM 285 CD GLU 39 11.785 23.968 12.520 1.00 0.00 ATOM 286 OE1 GLU 39 12.060 23.953 11.307 1.00 0.00 ATOM 287 OE2 GLU 39 10.919 23.258 13.069 1.00 0.00 ATOM 288 O GLU 39 11.132 26.994 17.056 1.00 0.00 ATOM 289 C GLU 39 10.506 26.297 16.248 1.00 0.00 ATOM 290 N SER 40 9.498 25.494 16.594 1.00 0.00 ATOM 291 CA SER 40 9.038 25.341 17.986 1.00 0.00 ATOM 292 CB SER 40 7.555 24.965 18.010 1.00 0.00 ATOM 293 OG SER 40 7.375 23.625 17.565 1.00 0.00 ATOM 294 O SER 40 10.644 23.555 18.077 1.00 0.00 ATOM 295 C SER 40 9.848 24.252 18.702 1.00 0.00 ATOM 296 N ILE 41 9.642 24.085 20.006 1.00 0.00 ATOM 297 CA ILE 41 10.299 22.991 20.757 1.00 0.00 ATOM 298 CB ILE 41 9.960 23.013 22.265 1.00 0.00 ATOM 299 CG1 ILE 41 10.555 24.296 22.861 1.00 0.00 ATOM 300 CG2 ILE 41 10.464 21.757 23.007 1.00 0.00 ATOM 301 CD1 ILE 41 10.051 24.546 24.272 1.00 0.00 ATOM 302 O ILE 41 10.819 20.817 19.906 1.00 0.00 ATOM 303 C ILE 41 9.932 21.631 20.144 1.00 0.00 ATOM 304 N GLU 42 8.646 21.423 19.911 1.00 0.00 ATOM 305 CA GLU 42 8.154 20.165 19.329 1.00 0.00 ATOM 306 CB GLU 42 6.636 20.276 19.244 1.00 0.00 ATOM 307 CG GLU 42 5.989 18.960 18.796 1.00 0.00 ATOM 308 CD GLU 42 4.455 19.049 18.733 1.00 0.00 ATOM 309 OE1 GLU 42 3.908 20.107 19.062 1.00 0.00 ATOM 310 OE2 GLU 42 3.842 18.017 18.390 1.00 0.00 ATOM 311 O GLU 42 9.460 18.867 17.788 1.00 0.00 ATOM 312 C GLU 42 8.785 19.886 17.949 1.00 0.00 ATOM 313 N ASP 43 8.750 20.891 17.072 1.00 0.00 ATOM 314 CA ASP 43 9.361 20.795 15.735 1.00 0.00 ATOM 315 CB ASP 43 9.078 22.061 14.917 1.00 0.00 ATOM 316 CG ASP 43 7.672 22.133 14.339 1.00 0.00 ATOM 317 OD1 ASP 43 7.041 21.051 14.257 1.00 0.00 ATOM 318 OD2 ASP 43 7.299 23.241 13.905 1.00 0.00 ATOM 319 O ASP 43 11.447 19.694 15.189 1.00 0.00 ATOM 320 C ASP 43 10.874 20.618 15.770 1.00 0.00 ATOM 321 N ALA 44 11.488 21.377 16.675 1.00 0.00 ATOM 322 CA ALA 44 12.946 21.314 16.890 1.00 0.00 ATOM 323 CB ALA 44 13.409 22.339 17.901 1.00 0.00 ATOM 324 O ALA 44 14.386 19.394 16.906 1.00 0.00 ATOM 325 C ALA 44 13.393 19.935 17.378 1.00 0.00 ATOM 326 N CYS 45 12.592 19.357 18.275 1.00 0.00 ATOM 327 CA CYS 45 12.880 18.015 18.816 1.00 0.00 ATOM 328 CB CYS 45 11.888 17.694 19.934 1.00 0.00 ATOM 329 SG CYS 45 12.276 18.681 21.404 1.00 0.00 ATOM 330 O CYS 45 13.791 16.191 17.582 1.00 0.00 ATOM 331 C CYS 45 12.830 16.936 17.737 1.00 0.00 ATOM 332 N ALA 46 11.805 17.031 16.900 1.00 0.00 ATOM 333 CA ALA 46 11.651 16.104 15.769 1.00 0.00 ATOM 334 CB ALA 46 10.272 16.340 15.175 1.00 0.00 ATOM 335 O ALA 46 13.442 15.214 14.446 1.00 0.00 ATOM 336 C ALA 46 12.806 16.218 14.762 1.00 0.00 ATOM 337 N VAL 47 13.263 17.447 14.517 1.00 0.00 ATOM 338 CA VAL 47 14.372 17.682 13.552 1.00 0.00 ATOM 339 CB VAL 47 14.449 19.125 13.000 1.00 0.00 ATOM 340 CG1 VAL 47 13.118 19.622 12.461 1.00 0.00 ATOM 341 CG2 VAL 47 14.974 20.179 13.964 1.00 0.00 ATOM 342 O VAL 47 16.618 16.808 13.382 1.00 0.00 ATOM 343 C VAL 47 15.744 17.265 14.112 1.00 0.00 ATOM 344 N HIS 48 15.944 17.562 15.391 1.00 0.00 ATOM 345 CA HIS 48 17.229 17.297 16.072 1.00 0.00 ATOM 346 CB HIS 48 17.517 18.465 17.040 1.00 0.00 ATOM 347 CG HIS 48 17.810 19.777 16.277 1.00 0.00 ATOM 348 CD2 HIS 48 17.249 20.975 16.461 1.00 0.00 ATOM 349 ND1 HIS 48 18.679 19.911 15.275 1.00 0.00 ATOM 350 CE1 HIS 48 18.676 21.172 14.878 1.00 0.00 ATOM 351 NE2 HIS 48 17.792 21.837 15.610 1.00 0.00 ATOM 352 O HIS 48 18.259 15.545 17.386 1.00 0.00 ATOM 353 C HIS 48 17.270 15.907 16.734 1.00 0.00 ATOM 354 N GLY 49 16.229 15.120 16.492 1.00 0.00 ATOM 355 CA GLY 49 16.120 13.753 17.023 1.00 0.00 ATOM 356 O GLY 49 16.600 12.659 19.093 1.00 0.00 ATOM 357 C GLY 49 16.108 13.636 18.539 1.00 0.00 ATOM 358 N ILE 50 15.647 14.676 19.197 1.00 0.00 ATOM 359 CA ILE 50 15.531 14.667 20.665 1.00 0.00 ATOM 360 CB ILE 50 15.945 16.017 21.262 1.00 0.00 ATOM 361 CG1 ILE 50 17.343 16.447 20.787 1.00 0.00 ATOM 362 CG2 ILE 50 15.849 15.999 22.796 1.00 0.00 ATOM 363 CD1 ILE 50 18.505 15.538 21.191 1.00 0.00 ATOM 364 O ILE 50 13.178 15.081 20.506 1.00 0.00 ATOM 365 C ILE 50 14.061 14.358 20.958 1.00 0.00 ATOM 366 N ASP 51 13.845 13.334 21.771 1.00 0.00 ATOM 367 CA ASP 51 12.480 12.979 22.195 1.00 0.00 ATOM 368 CB ASP 51 12.428 11.699 23.038 1.00 0.00 ATOM 369 CG ASP 51 12.720 10.427 22.239 1.00 0.00 ATOM 370 OD1 ASP 51 12.809 10.560 21.019 1.00 0.00 ATOM 371 OD2 ASP 51 13.060 9.393 22.862 1.00 0.00 ATOM 372 O ASP 51 12.590 14.737 23.839 1.00 0.00 ATOM 373 C ASP 51 11.916 14.148 22.998 1.00 0.00 ATOM 374 N ALA 52 10.654 14.465 22.718 1.00 0.00 ATOM 375 CA ALA 52 9.944 15.552 23.426 1.00 0.00 ATOM 376 CB ALA 52 8.555 15.753 22.830 1.00 0.00 ATOM 377 O ALA 52 10.090 16.200 25.733 1.00 0.00 ATOM 378 C ALA 52 9.858 15.291 24.944 1.00 0.00 ATOM 379 N ASP 53 9.807 14.009 25.312 1.00 0.00 ATOM 380 CA ASP 53 9.804 13.608 26.741 1.00 0.00 ATOM 381 CB ASP 53 9.571 12.120 26.944 1.00 0.00 ATOM 382 CG ASP 53 8.171 11.647 26.560 1.00 0.00 ATOM 383 OD1 ASP 53 7.280 12.490 26.371 1.00 0.00 ATOM 384 OD2 ASP 53 8.041 10.415 26.495 1.00 0.00 ATOM 385 O ASP 53 11.099 14.408 28.586 1.00 0.00 ATOM 386 C ASP 53 11.110 13.960 27.442 1.00 0.00 ATOM 387 N LYS 54 12.221 13.772 26.732 1.00 0.00 ATOM 388 CA LYS 54 13.549 14.138 27.238 1.00 0.00 ATOM 389 CB LYS 54 14.658 13.790 26.242 1.00 0.00 ATOM 390 CG LYS 54 14.866 12.285 26.099 1.00 0.00 ATOM 391 CD LYS 54 16.005 12.012 25.115 1.00 0.00 ATOM 392 CE LYS 54 16.212 10.513 24.921 1.00 0.00 ATOM 393 NZ LYS 54 17.275 10.223 23.957 1.00 0.00 ATOM 394 O LYS 54 13.846 16.039 28.668 1.00 0.00 ATOM 395 C LYS 54 13.617 15.635 27.529 1.00 0.00 ATOM 396 N LEU 55 13.082 16.402 26.589 1.00 0.00 ATOM 397 CA LEU 55 13.031 17.865 26.721 1.00 0.00 ATOM 398 CB LEU 55 12.568 18.395 25.366 1.00 0.00 ATOM 399 CG LEU 55 13.311 19.624 24.824 1.00 0.00 ATOM 400 CD1 LEU 55 13.596 20.745 25.838 1.00 0.00 ATOM 401 CD2 LEU 55 14.568 19.096 24.147 1.00 0.00 ATOM 402 O LEU 55 12.444 19.186 28.639 1.00 0.00 ATOM 403 C LEU 55 12.100 18.300 27.866 1.00 0.00 ATOM 404 N VAL 56 10.961 17.620 28.006 1.00 0.00 ATOM 405 CA VAL 56 10.017 17.881 29.119 1.00 0.00 ATOM 406 CB VAL 56 8.715 17.071 28.973 1.00 0.00 ATOM 407 CG1 VAL 56 7.810 17.236 30.208 1.00 0.00 ATOM 408 CG2 VAL 56 7.931 17.531 27.746 1.00 0.00 ATOM 409 O VAL 56 10.582 18.411 31.366 1.00 0.00 ATOM 410 C VAL 56 10.685 17.590 30.468 1.00 0.00 ATOM 411 N LYS 57 11.319 16.425 30.561 1.00 0.00 ATOM 412 CA LYS 57 12.030 16.015 31.785 1.00 0.00 ATOM 413 CB LYS 57 12.754 14.675 31.647 1.00 0.00 ATOM 414 CG LYS 57 11.790 13.507 31.537 1.00 0.00 ATOM 415 CD LYS 57 12.565 12.213 31.391 1.00 0.00 ATOM 416 CE LYS 57 11.554 11.163 30.985 1.00 0.00 ATOM 417 NZ LYS 57 12.160 9.839 30.801 1.00 0.00 ATOM 418 O LYS 57 13.069 17.552 33.286 1.00 0.00 ATOM 419 C LYS 57 13.109 17.033 32.176 1.00 0.00 ATOM 420 N GLU 58 13.852 17.473 31.162 1.00 0.00 ATOM 421 CA GLU 58 14.923 18.472 31.341 1.00 0.00 ATOM 422 CB GLU 58 15.727 18.653 30.049 1.00 0.00 ATOM 423 CG GLU 58 16.510 17.404 29.633 1.00 0.00 ATOM 424 CD GLU 58 17.785 17.111 30.429 1.00 0.00 ATOM 425 OE1 GLU 58 18.064 17.798 31.435 1.00 0.00 ATOM 426 OE2 GLU 58 18.529 16.205 29.989 1.00 0.00 ATOM 427 O GLU 58 14.786 20.471 32.716 1.00 0.00 ATOM 428 C GLU 58 14.342 19.830 31.766 1.00 0.00 ATOM 429 N LEU 59 13.291 20.254 31.068 1.00 0.00 ATOM 430 CA LEU 59 12.642 21.550 31.335 1.00 0.00 ATOM 431 CB LEU 59 11.606 21.882 30.251 1.00 0.00 ATOM 432 CG LEU 59 10.856 23.197 30.499 1.00 0.00 ATOM 433 CD1 LEU 59 11.817 24.398 30.519 1.00 0.00 ATOM 434 CD2 LEU 59 9.762 23.329 29.456 1.00 0.00 ATOM 435 O LEU 59 12.044 22.679 33.376 1.00 0.00 ATOM 436 C LEU 59 12.004 21.628 32.730 1.00 0.00 ATOM 437 N ASN 60 11.432 20.523 33.176 1.00 0.00 ATOM 438 CA ASN 60 10.812 20.492 34.507 1.00 0.00 ATOM 439 CB ASN 60 10.062 19.213 34.749 1.00 0.00 ATOM 440 CG ASN 60 8.731 19.173 34.027 1.00 0.00 ATOM 441 ND2 ASN 60 8.218 17.979 33.893 1.00 0.00 ATOM 442 OD1 ASN 60 8.141 20.141 33.565 1.00 0.00 ATOM 443 O ASN 60 11.495 21.456 36.550 1.00 0.00 ATOM 444 C ASN 60 11.793 20.674 35.651 1.00 0.00 ATOM 445 N GLU 61 13.010 20.194 35.457 1.00 0.00 ATOM 446 CA GLU 61 14.072 20.363 36.458 1.00 0.00 ATOM 447 CB GLU 61 15.279 19.501 36.117 1.00 0.00 ATOM 448 CG GLU 61 14.942 17.996 36.180 1.00 0.00 ATOM 449 CD GLU 61 14.539 17.489 37.557 1.00 0.00 ATOM 450 OE1 GLU 61 14.873 18.235 38.492 1.00 0.00 ATOM 451 OE2 GLU 61 14.081 16.321 37.643 1.00 0.00 ATOM 452 O GLU 61 14.614 22.352 37.731 1.00 0.00 ATOM 453 C GLU 61 14.463 21.837 36.627 1.00 0.00 ATOM 454 N TYR 62 14.434 22.563 35.507 1.00 0.00 ATOM 455 CA TYR 62 14.788 23.997 35.491 1.00 0.00 ATOM 456 CB TYR 62 14.659 24.599 34.099 1.00 0.00 ATOM 457 CG TYR 62 15.046 26.087 34.081 1.00 0.00 ATOM 458 CD1 TYR 62 16.284 26.545 34.544 1.00 0.00 ATOM 459 CD2 TYR 62 14.112 27.002 33.620 1.00 0.00 ATOM 460 CE1 TYR 62 16.568 27.907 34.528 1.00 0.00 ATOM 461 CE2 TYR 62 14.397 28.348 33.613 1.00 0.00 ATOM 462 CZ TYR 62 15.630 28.809 34.056 1.00 0.00 ATOM 463 OH TYR 62 15.934 30.124 33.996 1.00 0.00 ATOM 464 O TYR 62 14.226 25.493 37.290 1.00 0.00 ATOM 465 C TYR 62 13.830 24.773 36.367 1.00 0.00 ATOM 466 N PHE 63 12.550 24.534 36.086 1.00 0.00 ATOM 467 CA PHE 63 11.476 25.172 36.829 1.00 0.00 ATOM 468 CB PHE 63 10.165 25.140 36.028 1.00 0.00 ATOM 469 CG PHE 63 10.241 26.133 34.862 1.00 0.00 ATOM 470 CD1 PHE 63 10.424 27.489 35.098 1.00 0.00 ATOM 471 CD2 PHE 63 10.121 25.680 33.557 1.00 0.00 ATOM 472 CE1 PHE 63 10.519 28.375 34.037 1.00 0.00 ATOM 473 CE2 PHE 63 10.192 26.581 32.516 1.00 0.00 ATOM 474 CZ PHE 63 10.392 27.930 32.735 1.00 0.00 ATOM 475 O PHE 63 11.045 25.429 39.168 1.00 0.00 ATOM 476 C PHE 63 11.316 24.643 38.256 1.00 0.00 ATOM 477 N GLU 64 11.726 23.392 38.478 1.00 0.00 ATOM 478 CA GLU 64 11.682 22.742 39.800 1.00 0.00 ATOM 479 CB GLU 64 12.041 21.255 39.688 1.00 0.00 ATOM 480 CG GLU 64 12.019 20.576 41.062 1.00 0.00 ATOM 481 CD GLU 64 11.869 19.061 41.057 1.00 0.00 ATOM 482 OE1 GLU 64 11.933 18.434 39.998 1.00 0.00 ATOM 483 OE2 GLU 64 11.700 18.527 42.170 1.00 0.00 ATOM 484 O GLU 64 12.282 23.418 42.058 1.00 0.00 ATOM 485 C GLU 64 12.561 23.416 40.855 1.00 0.00 ATOM 486 N LYS 65 13.695 23.919 40.397 1.00 0.00 ATOM 487 CA LYS 65 14.590 24.582 41.340 1.00 0.00 ATOM 488 CB LYS 65 16.027 24.177 41.006 1.00 0.00 ATOM 489 CG LYS 65 17.102 24.578 42.027 1.00 0.00 ATOM 490 CD LYS 65 16.725 24.267 43.477 1.00 0.00 ATOM 491 CE LYS 65 16.517 22.768 43.692 1.00 0.00 ATOM 492 NZ LYS 65 17.764 22.032 43.526 1.00 0.00 ATOM 493 O LYS 65 15.055 26.747 42.209 1.00 0.00 ATOM 494 C LYS 65 14.314 26.077 41.502 1.00 0.00 ATOM 495 N LYS 66 13.316 26.586 40.770 1.00 0.00 ATOM 496 CA LYS 66 12.706 27.921 40.915 1.00 0.00 ATOM 497 CB LYS 66 12.229 28.149 42.367 1.00 0.00 ATOM 498 CG LYS 66 13.270 28.535 43.427 1.00 0.00 ATOM 499 CD LYS 66 12.742 28.279 44.836 1.00 0.00 ATOM 500 CE LYS 66 13.757 28.666 45.904 1.00 0.00 ATOM 501 NZ LYS 66 14.015 30.098 45.864 1.00 0.00 ATOM 502 O LYS 66 12.976 30.258 40.454 1.00 0.00 ATOM 503 C LYS 66 13.485 29.135 40.349 1.00 0.00 ATOM 504 N GLU 67 14.492 28.876 39.533 1.00 0.00 ATOM 505 CA GLU 67 15.303 29.956 38.928 1.00 0.00 ATOM 506 CB GLU 67 16.804 29.661 39.066 1.00 0.00 ATOM 507 CG GLU 67 17.769 30.798 38.707 1.00 0.00 ATOM 508 CD GLU 67 19.215 30.491 39.175 1.00 0.00 ATOM 509 OE1 GLU 67 19.385 29.676 40.092 1.00 0.00 ATOM 510 OE2 GLU 67 20.203 30.937 38.594 1.00 0.00 ATOM 511 O GLU 67 14.768 29.175 36.731 1.00 0.00 ATOM 512 C GLU 67 14.942 30.153 37.463 1.00 0.00 ATOM 513 N VAL 68 14.476 31.371 37.210 1.00 0.00 ATOM 514 CA VAL 68 14.072 31.788 35.853 1.00 0.00 ATOM 515 CB VAL 68 12.654 32.375 35.901 1.00 0.00 ATOM 516 CG1 VAL 68 12.174 32.975 34.572 1.00 0.00 ATOM 517 CG2 VAL 68 11.683 31.250 36.285 1.00 0.00 ATOM 518 O VAL 68 16.125 33.018 35.949 1.00 0.00 ATOM 519 C VAL 68 15.141 32.729 35.245 1.00 0.00 TER END