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 3 Mon Jun 30 21:53:00 2008 MODEL 3 PARENT N/A ATOM 1 N MET 1 9.338 29.507 35.170 1.00 0.00 ATOM 2 CA MET 1 9.286 29.974 33.807 1.00 0.00 ATOM 3 CB MET 1 10.605 29.726 33.095 1.00 0.00 ATOM 4 CG MET 1 11.765 30.479 33.724 1.00 0.00 ATOM 5 SD MET 1 13.336 30.160 32.910 1.00 0.00 ATOM 6 CE MET 1 14.339 31.494 33.577 1.00 0.00 ATOM 7 O MET 1 8.142 27.938 33.467 1.00 0.00 ATOM 8 C MET 1 8.264 29.105 33.111 1.00 0.00 ATOM 9 N LYS 2 7.426 29.701 32.275 1.00 0.00 ATOM 10 CA LYS 2 6.406 28.981 31.524 1.00 0.00 ATOM 11 CB LYS 2 5.137 29.819 31.358 1.00 0.00 ATOM 12 CG LYS 2 4.315 29.979 32.631 1.00 0.00 ATOM 13 CD LYS 2 4.765 31.174 33.462 1.00 0.00 ATOM 14 CE LYS 2 4.624 32.478 32.685 1.00 0.00 ATOM 15 NZ LYS 2 0.987 31.263 31.496 1.00 0.00 ATOM 16 O LYS 2 7.406 29.551 29.420 1.00 0.00 ATOM 17 C LYS 2 6.952 28.659 30.137 1.00 0.00 ATOM 18 N ILE 3 6.902 27.389 29.777 1.00 0.00 ATOM 19 CA ILE 3 7.400 26.987 28.466 1.00 0.00 ATOM 20 CB ILE 3 8.471 25.874 28.636 1.00 0.00 ATOM 21 CG1 ILE 3 9.712 26.345 29.398 1.00 0.00 ATOM 22 CG2 ILE 3 8.821 25.267 27.293 1.00 0.00 ATOM 23 CD1 ILE 3 10.431 27.471 28.716 1.00 0.00 ATOM 24 O ILE 3 5.530 25.535 28.091 1.00 0.00 ATOM 25 C ILE 3 6.248 26.434 27.650 1.00 0.00 ATOM 26 N THR 4 6.070 26.956 26.475 1.00 0.00 ATOM 27 CA THR 4 5.112 26.446 25.501 1.00 0.00 ATOM 28 CB THR 4 4.307 27.591 24.860 1.00 0.00 ATOM 29 CG2 THR 4 3.366 27.052 23.794 1.00 0.00 ATOM 30 OG1 THR 4 3.535 28.260 25.866 1.00 0.00 ATOM 31 O THR 4 6.496 26.420 23.531 1.00 0.00 ATOM 32 C THR 4 5.883 25.755 24.364 1.00 0.00 ATOM 33 N LYS 5 5.834 24.427 24.332 1.00 0.00 ATOM 34 CA LYS 5 6.530 23.671 23.296 1.00 0.00 ATOM 35 CB LYS 5 6.463 22.109 24.145 1.00 0.00 ATOM 36 CG LYS 5 5.528 21.284 23.308 1.00 0.00 ATOM 37 CD LYS 5 5.228 19.955 23.983 1.00 0.00 ATOM 38 CE LYS 5 3.911 19.402 23.478 1.00 0.00 ATOM 39 NZ LYS 5 3.757 17.979 23.889 1.00 0.00 ATOM 40 O LYS 5 6.698 23.582 20.888 1.00 0.00 ATOM 41 C LYS 5 6.038 23.910 21.891 1.00 0.00 ATOM 42 N ASP 6 4.814 24.426 21.742 1.00 0.00 ATOM 43 CA ASP 6 4.194 24.691 20.449 1.00 0.00 ATOM 44 CB ASP 6 2.679 24.543 20.596 1.00 0.00 ATOM 45 CG ASP 6 2.273 23.166 21.084 1.00 0.00 ATOM 46 OD1 ASP 6 2.765 22.168 20.519 1.00 0.00 ATOM 47 OD2 ASP 6 1.462 23.086 22.031 1.00 0.00 ATOM 48 O ASP 6 4.071 26.368 18.737 1.00 0.00 ATOM 49 C ASP 6 4.510 26.054 19.845 1.00 0.00 ATOM 50 N MET 7 5.272 26.865 20.573 1.00 0.00 ATOM 51 CA MET 7 5.647 28.217 20.091 1.00 0.00 ATOM 52 CB MET 7 5.483 29.187 21.249 1.00 0.00 ATOM 53 CG MET 7 4.039 29.557 21.603 1.00 0.00 ATOM 54 SD MET 7 3.866 30.522 23.131 1.00 0.00 ATOM 55 CE MET 7 5.233 31.668 22.831 1.00 0.00 ATOM 56 O MET 7 7.844 27.272 19.883 1.00 0.00 ATOM 57 C MET 7 7.073 28.174 19.552 1.00 0.00 ATOM 58 N ILE 8 7.422 29.151 18.719 1.00 0.00 ATOM 59 CA ILE 8 8.801 29.224 18.120 1.00 0.00 ATOM 60 CB ILE 8 9.084 30.564 17.449 1.00 0.00 ATOM 61 CG1 ILE 8 8.093 30.795 16.280 1.00 0.00 ATOM 62 CG2 ILE 8 10.545 30.523 16.972 1.00 0.00 ATOM 63 CD1 ILE 8 7.829 29.587 15.328 1.00 0.00 ATOM 64 O ILE 8 9.402 29.799 20.374 1.00 0.00 ATOM 65 C ILE 8 9.733 29.230 19.333 1.00 0.00 ATOM 66 N ILE 9 10.895 28.599 19.194 1.00 0.00 ATOM 67 CA ILE 9 11.860 28.546 20.287 1.00 0.00 ATOM 68 CB ILE 9 13.045 27.648 19.931 1.00 0.00 ATOM 69 CG1 ILE 9 13.751 27.207 21.216 1.00 0.00 ATOM 70 CG2 ILE 9 14.035 28.385 19.042 1.00 0.00 ATOM 71 CD1 ILE 9 14.828 26.144 21.006 1.00 0.00 ATOM 72 O ILE 9 12.711 30.180 21.854 1.00 0.00 ATOM 73 C ILE 9 12.387 29.950 20.689 1.00 0.00 ATOM 74 N ALA 10 12.519 30.844 19.714 1.00 0.00 ATOM 75 CA ALA 10 13.003 32.193 19.987 1.00 0.00 ATOM 76 CB ALA 10 13.140 32.993 18.706 1.00 0.00 ATOM 77 O ALA 10 12.508 33.571 21.907 1.00 0.00 ATOM 78 C ALA 10 12.050 32.917 20.962 1.00 0.00 ATOM 79 N ASP 11 10.739 32.711 20.790 1.00 0.00 ATOM 80 CA ASP 11 9.774 33.318 21.688 1.00 0.00 ATOM 81 CB ASP 11 8.348 33.143 21.152 1.00 0.00 ATOM 82 CG ASP 11 8.113 33.915 19.860 1.00 0.00 ATOM 83 OD1 ASP 11 8.652 35.036 19.731 1.00 0.00 ATOM 84 OD2 ASP 11 7.392 33.408 18.981 1.00 0.00 ATOM 85 O ASP 11 9.824 33.481 24.070 1.00 0.00 ATOM 86 C ASP 11 9.924 32.749 23.093 1.00 0.00 ATOM 87 N VAL 12 10.183 31.443 23.189 1.00 0.00 ATOM 88 CA VAL 12 10.369 30.817 24.500 1.00 0.00 ATOM 89 CB VAL 12 10.563 29.293 24.365 1.00 0.00 ATOM 90 CG1 VAL 12 10.932 28.688 25.715 1.00 0.00 ATOM 91 CG2 VAL 12 9.290 28.658 23.841 1.00 0.00 ATOM 92 O VAL 12 11.547 31.740 26.375 1.00 0.00 ATOM 93 C VAL 12 11.591 31.416 25.187 1.00 0.00 ATOM 94 N LEU 13 12.680 31.565 24.439 1.00 0.00 ATOM 95 CA LEU 13 13.937 32.140 24.998 1.00 0.00 ATOM 96 CB LEU 13 15.062 32.045 23.952 1.00 0.00 ATOM 97 CG LEU 13 15.370 30.601 23.526 1.00 0.00 ATOM 98 CD1 LEU 13 16.325 30.588 22.341 1.00 0.00 ATOM 99 CD2 LEU 13 15.958 29.837 24.705 1.00 0.00 ATOM 100 O LEU 13 14.191 33.973 26.511 1.00 0.00 ATOM 101 C LEU 13 13.685 33.556 25.469 1.00 0.00 ATOM 102 N GLN 14 12.899 34.303 24.700 1.00 0.00 ATOM 103 CA GLN 14 12.584 35.682 25.056 1.00 0.00 ATOM 104 CB GLN 14 11.834 36.386 23.964 1.00 0.00 ATOM 105 CG GLN 14 12.670 36.524 22.704 1.00 0.00 ATOM 106 CD GLN 14 11.972 37.287 21.595 1.00 0.00 ATOM 107 OE1 GLN 14 10.906 37.850 21.803 1.00 0.00 ATOM 108 NE2 GLN 14 12.574 37.297 20.409 1.00 0.00 ATOM 109 O GLN 14 12.142 36.531 27.256 1.00 0.00 ATOM 110 C GLN 14 11.840 35.713 26.386 1.00 0.00 ATOM 111 N MET 15 10.868 34.820 26.545 1.00 0.00 ATOM 112 CA MET 15 10.098 34.759 27.772 1.00 0.00 ATOM 113 CB MET 15 8.849 33.876 27.618 1.00 0.00 ATOM 114 CG MET 15 7.817 34.468 26.671 1.00 0.00 ATOM 115 SD MET 15 6.277 33.534 26.741 1.00 0.00 ATOM 116 CE MET 15 6.849 32.007 25.967 1.00 0.00 ATOM 117 O MET 15 10.951 34.758 30.032 1.00 0.00 ATOM 118 C MET 15 10.981 34.222 28.924 1.00 0.00 ATOM 119 N ASP 16 11.753 33.173 28.651 1.00 0.00 ATOM 120 CA ASP 16 12.623 32.592 29.666 1.00 0.00 ATOM 121 CB ASP 16 11.982 31.259 30.141 1.00 0.00 ATOM 122 CG ASP 16 10.554 31.406 30.569 1.00 0.00 ATOM 123 OD1 ASP 16 10.281 32.315 31.396 1.00 0.00 ATOM 124 OD2 ASP 16 9.634 30.717 30.113 1.00 0.00 ATOM 125 O ASP 16 14.560 31.601 28.561 1.00 0.00 ATOM 126 C ASP 16 14.123 32.577 29.172 1.00 0.00 ATOM 127 N ARG 17 14.866 33.645 29.446 1.00 0.00 ATOM 128 CA ARG 17 16.262 33.723 29.033 1.00 0.00 ATOM 129 CB ARG 17 16.787 35.140 29.344 1.00 0.00 ATOM 130 CG ARG 17 18.277 35.334 29.012 1.00 0.00 ATOM 131 CD ARG 17 18.701 36.833 29.053 1.00 0.00 ATOM 132 NE ARG 17 18.232 37.574 27.868 1.00 0.00 ATOM 133 CZ ARG 17 17.333 38.560 27.901 1.00 0.00 ATOM 134 NH1 ARG 17 16.798 38.967 29.042 1.00 0.00 ATOM 135 NH2 ARG 17 16.976 39.161 26.780 1.00 0.00 ATOM 136 O ARG 17 17.993 32.061 29.001 1.00 0.00 ATOM 137 C ARG 17 17.098 32.607 29.649 1.00 0.00 ATOM 138 N GLY 18 16.805 32.268 30.900 1.00 0.00 ATOM 139 CA GLY 18 17.554 31.185 31.620 1.00 0.00 ATOM 140 O GLY 18 18.288 28.927 31.271 1.00 0.00 ATOM 141 C GLY 18 17.428 29.778 31.043 1.00 0.00 ATOM 142 N THR 19 16.353 29.537 30.298 1.00 0.00 ATOM 143 CA THR 19 16.125 28.213 29.685 1.00 0.00 ATOM 144 CB THR 19 14.639 27.931 29.423 1.00 0.00 ATOM 145 CG2 THR 19 13.845 28.087 30.729 1.00 0.00 ATOM 146 OG1 THR 19 14.126 28.854 28.445 1.00 0.00 ATOM 147 O THR 19 17.120 26.819 27.972 1.00 0.00 ATOM 148 C THR 19 16.972 27.963 28.403 1.00 0.00 ATOM 149 N ALA 20 17.511 29.029 27.820 1.00 0.00 ATOM 150 CA ALA 20 18.325 28.901 26.616 1.00 0.00 ATOM 151 CB ALA 20 18.844 30.250 26.145 1.00 0.00 ATOM 152 O ALA 20 19.912 27.181 26.040 1.00 0.00 ATOM 153 C ALA 20 19.554 28.006 26.868 1.00 0.00 ATOM 154 N PRO 21 20.229 28.211 27.982 1.00 0.00 ATOM 155 CA PRO 21 21.411 27.351 28.294 1.00 0.00 ATOM 156 CB PRO 21 21.813 27.777 29.670 1.00 0.00 ATOM 157 CG PRO 21 21.537 29.241 29.656 1.00 0.00 ATOM 158 CD PRO 21 20.177 29.323 28.989 1.00 0.00 ATOM 159 O PRO 21 21.757 25.069 27.666 1.00 0.00 ATOM 160 C PRO 21 21.058 25.868 28.289 1.00 0.00 ATOM 161 N ILE 22 19.871 25.538 28.787 1.00 0.00 ATOM 162 CA ILE 22 19.428 24.146 28.831 1.00 0.00 ATOM 163 CB ILE 22 18.188 23.952 29.660 1.00 0.00 ATOM 164 CG1 ILE 22 18.500 24.307 31.116 1.00 0.00 ATOM 165 CG2 ILE 22 17.707 22.515 29.547 1.00 0.00 ATOM 166 CD1 ILE 22 19.625 23.490 31.727 1.00 0.00 ATOM 167 O ILE 22 19.551 22.561 27.035 1.00 0.00 ATOM 168 C ILE 22 19.099 23.634 27.432 1.00 0.00 ATOM 169 N PHE 23 18.311 24.404 26.689 1.00 0.00 ATOM 170 CA PHE 23 17.929 24.015 25.325 1.00 0.00 ATOM 171 CB PHE 23 17.049 25.081 24.716 1.00 0.00 ATOM 172 CG PHE 23 15.711 25.210 25.396 1.00 0.00 ATOM 173 CD1 PHE 23 15.064 26.436 25.461 1.00 0.00 ATOM 174 CD2 PHE 23 15.092 24.098 25.950 1.00 0.00 ATOM 175 CE1 PHE 23 13.821 26.552 26.069 1.00 0.00 ATOM 176 CE2 PHE 23 13.847 24.209 26.558 1.00 0.00 ATOM 177 CZ PHE 23 13.214 25.438 26.617 1.00 0.00 ATOM 178 O PHE 23 19.168 22.819 23.618 1.00 0.00 ATOM 179 C PHE 23 19.157 23.775 24.394 1.00 0.00 ATOM 180 N ILE 24 20.163 24.640 24.487 1.00 0.00 ATOM 181 CA ILE 24 21.357 24.501 23.660 1.00 0.00 ATOM 182 CB ILE 24 22.341 25.705 23.877 1.00 0.00 ATOM 183 CG1 ILE 24 21.776 26.980 23.258 1.00 0.00 ATOM 184 CG2 ILE 24 23.725 25.370 23.341 1.00 0.00 ATOM 185 CD1 ILE 24 22.534 28.206 23.743 1.00 0.00 ATOM 186 O ILE 24 22.616 22.559 23.049 1.00 0.00 ATOM 187 C ILE 24 22.042 23.114 23.944 1.00 0.00 ATOM 188 N ASN 25 21.843 22.637 25.186 1.00 0.00 ATOM 189 CA ASN 25 22.477 21.354 25.538 1.00 0.00 ATOM 190 CB ASN 25 22.716 21.364 27.041 1.00 0.00 ATOM 191 CG ASN 25 23.920 22.212 27.403 1.00 0.00 ATOM 192 ND2 ASN 25 23.882 22.825 28.567 1.00 0.00 ATOM 193 OD1 ASN 25 24.866 22.328 26.625 1.00 0.00 ATOM 194 O ASN 25 22.037 19.027 25.312 1.00 0.00 ATOM 195 C ASN 25 21.616 20.156 25.131 1.00 0.00 ATOM 196 N ASN 26 20.395 20.419 24.566 1.00 0.00 ATOM 197 CA ASN 26 19.489 19.360 24.141 1.00 0.00 ATOM 198 CB ASN 26 18.212 19.588 24.930 1.00 0.00 ATOM 199 CG ASN 26 18.439 19.421 26.395 1.00 0.00 ATOM 200 ND2 ASN 26 18.000 20.378 27.171 1.00 0.00 ATOM 201 OD1 ASN 26 19.020 18.436 26.822 1.00 0.00 ATOM 202 O ASN 26 18.095 19.039 22.238 1.00 0.00 ATOM 203 C ASN 26 19.192 19.398 22.661 1.00 0.00 ATOM 204 N GLY 27 20.206 19.800 21.860 1.00 0.00 ATOM 205 CA GLY 27 20.129 19.691 20.400 1.00 0.00 ATOM 206 O GLY 27 19.218 20.779 18.439 1.00 0.00 ATOM 207 C GLY 27 19.437 20.861 19.656 1.00 0.00 ATOM 208 N MET 28 19.075 21.936 20.336 1.00 0.00 ATOM 209 CA MET 28 18.448 23.083 19.671 1.00 0.00 ATOM 210 CB MET 28 17.105 23.322 20.390 1.00 0.00 ATOM 211 CG MET 28 16.134 22.173 20.148 1.00 0.00 ATOM 212 SD MET 28 14.580 22.376 20.986 1.00 0.00 ATOM 213 CE MET 28 13.783 23.545 19.895 1.00 0.00 ATOM 214 O MET 28 18.837 25.442 19.769 1.00 0.00 ATOM 215 C MET 28 19.337 24.314 19.735 1.00 0.00 ATOM 216 N HIS 29 20.647 24.097 19.801 1.00 0.00 ATOM 217 CA HIS 29 21.563 25.196 20.092 1.00 0.00 ATOM 218 CB HIS 29 22.932 24.676 20.546 1.00 0.00 ATOM 219 CG HIS 29 23.724 24.021 19.457 1.00 0.00 ATOM 220 CD2 HIS 29 23.751 22.736 19.026 1.00 0.00 ATOM 221 ND1 HIS 29 24.664 24.695 18.705 1.00 0.00 ATOM 222 CE1 HIS 29 25.217 23.861 17.844 1.00 0.00 ATOM 223 NE2 HIS 29 24.676 22.666 18.014 1.00 0.00 ATOM 224 O HIS 29 22.011 27.376 19.195 1.00 0.00 ATOM 225 C HIS 29 21.729 26.199 18.939 1.00 0.00 ATOM 226 N CYS 30 21.584 25.743 17.669 1.00 0.00 ATOM 227 CA CYS 30 21.506 26.747 16.602 1.00 0.00 ATOM 228 CB CYS 30 21.378 25.453 15.367 1.00 0.00 ATOM 229 SG CYS 30 19.654 25.550 14.846 1.00 0.00 ATOM 230 O CYS 30 20.442 28.888 16.408 1.00 0.00 ATOM 231 C CYS 30 20.369 27.736 16.836 1.00 0.00 ATOM 232 N LEU 31 19.320 27.283 17.515 1.00 0.00 ATOM 233 CA LEU 31 18.176 28.143 17.799 1.00 0.00 ATOM 234 CB LEU 31 17.055 27.339 18.437 1.00 0.00 ATOM 235 CG LEU 31 16.434 26.285 17.523 1.00 0.00 ATOM 236 CD1 LEU 31 15.517 25.377 18.325 1.00 0.00 ATOM 237 CD2 LEU 31 15.688 26.945 16.358 1.00 0.00 ATOM 238 O LEU 31 17.704 30.261 18.799 1.00 0.00 ATOM 239 C LEU 31 18.501 29.331 18.691 1.00 0.00 ATOM 240 N GLY 32 19.649 29.301 19.346 1.00 0.00 ATOM 241 CA GLY 32 20.039 30.378 20.237 1.00 0.00 ATOM 242 O GLY 32 19.474 32.693 20.117 1.00 0.00 ATOM 243 C GLY 32 19.960 31.715 19.547 1.00 0.00 ATOM 244 N CYS 33 20.438 31.768 18.307 1.00 0.00 ATOM 245 CA CYS 33 20.412 33.008 17.539 1.00 0.00 ATOM 246 CB CYS 33 20.917 32.757 16.135 1.00 0.00 ATOM 247 SG CYS 33 20.006 31.549 15.158 1.00 0.00 ATOM 248 O CYS 33 17.984 32.711 17.484 1.00 0.00 ATOM 249 C CYS 33 18.977 33.490 17.415 1.00 0.00 ATOM 250 N PRO 34 18.829 34.733 17.309 1.00 0.00 ATOM 251 CA PRO 34 17.472 35.303 17.266 1.00 0.00 ATOM 252 CB PRO 34 17.718 36.813 17.171 1.00 0.00 ATOM 253 CG PRO 34 18.969 36.948 17.992 1.00 0.00 ATOM 254 CD PRO 34 19.844 35.817 17.452 1.00 0.00 ATOM 255 O PRO 34 15.351 34.855 16.241 1.00 0.00 ATOM 256 C PRO 34 16.577 34.815 16.134 1.00 0.00 ATOM 257 N SER 35 17.191 34.352 15.049 1.00 0.00 ATOM 258 CA SER 35 16.429 33.850 13.890 1.00 0.00 ATOM 259 CB SER 35 17.358 33.633 12.691 1.00 0.00 ATOM 260 OG SER 35 18.177 32.501 12.905 1.00 0.00 ATOM 261 O SER 35 14.916 32.044 13.404 1.00 0.00 ATOM 262 C SER 35 15.665 32.563 14.231 1.00 0.00 ATOM 263 N SER 36 15.859 32.058 15.445 1.00 0.00 ATOM 264 CA SER 36 15.181 30.840 15.874 1.00 0.00 ATOM 265 CB SER 36 15.736 30.311 17.210 1.00 0.00 ATOM 266 OG SER 36 15.544 31.220 18.287 1.00 0.00 ATOM 267 O SER 36 12.788 30.620 16.955 1.00 0.00 ATOM 268 C SER 36 13.697 31.024 16.221 1.00 0.00 ATOM 269 N MET 37 13.144 31.589 14.987 1.00 0.00 ATOM 270 CA MET 37 11.822 32.185 14.752 1.00 0.00 ATOM 271 CB MET 37 12.023 33.596 14.167 1.00 0.00 ATOM 272 CG MET 37 10.711 34.355 13.949 1.00 0.00 ATOM 273 SD MET 37 9.686 34.589 15.428 1.00 0.00 ATOM 274 CE MET 37 10.877 35.570 16.449 1.00 0.00 ATOM 275 O MET 37 9.709 31.425 13.839 1.00 0.00 ATOM 276 C MET 37 10.922 31.223 13.916 1.00 0.00 ATOM 277 N GLY 38 11.528 30.231 13.271 1.00 0.00 ATOM 278 CA GLY 38 10.779 29.308 12.427 1.00 0.00 ATOM 279 O GLY 38 10.015 27.053 12.271 1.00 0.00 ATOM 280 C GLY 38 10.586 27.898 12.955 1.00 0.00 ATOM 281 N GLU 39 11.082 27.587 14.092 1.00 0.00 ATOM 282 CA GLU 39 10.962 26.251 14.687 1.00 0.00 ATOM 283 CB GLU 39 12.200 25.403 14.574 1.00 0.00 ATOM 284 CG GLU 39 12.771 25.274 13.173 1.00 0.00 ATOM 285 CD GLU 39 14.192 24.732 13.176 1.00 0.00 ATOM 286 OE1 GLU 39 14.748 24.519 12.079 1.00 0.00 ATOM 287 OE2 GLU 39 14.754 24.527 14.274 1.00 0.00 ATOM 288 O GLU 39 11.048 27.080 16.938 1.00 0.00 ATOM 289 C GLU 39 10.489 26.333 16.144 1.00 0.00 ATOM 290 N SER 40 9.487 25.530 16.488 1.00 0.00 ATOM 291 CA SER 40 9.065 25.377 17.878 1.00 0.00 ATOM 292 CB SER 40 7.572 25.056 17.942 1.00 0.00 ATOM 293 OG SER 40 7.289 23.811 17.347 1.00 0.00 ATOM 294 O SER 40 10.636 23.562 17.895 1.00 0.00 ATOM 295 C SER 40 9.859 24.269 18.552 1.00 0.00 ATOM 296 N ILE 41 9.676 24.104 19.859 1.00 0.00 ATOM 297 CA ILE 41 10.310 22.979 20.569 1.00 0.00 ATOM 298 CB ILE 41 9.978 23.137 22.104 1.00 0.00 ATOM 299 CG1 ILE 41 10.735 24.342 22.669 1.00 0.00 ATOM 300 CG2 ILE 41 10.363 21.853 22.864 1.00 0.00 ATOM 301 CD1 ILE 41 10.279 24.792 24.053 1.00 0.00 ATOM 302 O ILE 41 10.559 20.698 19.869 1.00 0.00 ATOM 303 C ILE 41 9.798 21.654 20.013 1.00 0.00 ATOM 304 N GLU 42 8.507 21.602 19.699 1.00 0.00 ATOM 305 CA GLU 42 7.925 20.402 19.164 1.00 0.00 ATOM 306 CB GLU 42 6.423 20.510 19.072 1.00 0.00 ATOM 307 CG GLU 42 5.720 19.222 18.703 1.00 0.00 ATOM 308 CD GLU 42 4.214 19.352 18.780 1.00 0.00 ATOM 309 OE1 GLU 42 3.703 19.855 19.806 1.00 0.00 ATOM 310 OE2 GLU 42 3.545 18.955 17.811 1.00 0.00 ATOM 311 O GLU 42 9.144 18.991 17.608 1.00 0.00 ATOM 312 C GLU 42 8.623 20.091 17.799 1.00 0.00 ATOM 313 N ASP 43 8.620 21.056 16.885 1.00 0.00 ATOM 314 CA ASP 43 9.247 20.863 15.582 1.00 0.00 ATOM 315 CB ASP 43 9.008 22.060 14.697 1.00 0.00 ATOM 316 CG ASP 43 7.575 22.276 14.315 1.00 0.00 ATOM 317 OD1 ASP 43 6.742 21.359 14.429 1.00 0.00 ATOM 318 OD2 ASP 43 7.248 23.378 13.866 1.00 0.00 ATOM 319 O ASP 43 11.325 19.824 14.969 1.00 0.00 ATOM 320 C ASP 43 10.762 20.648 15.683 1.00 0.00 ATOM 321 N ALA 44 11.412 21.449 16.491 1.00 0.00 ATOM 322 CA ALA 44 12.851 21.368 16.673 1.00 0.00 ATOM 323 CB ALA 44 13.095 22.273 18.060 1.00 0.00 ATOM 324 O ALA 44 14.396 19.564 16.913 1.00 0.00 ATOM 325 C ALA 44 13.302 20.031 17.263 1.00 0.00 ATOM 326 N CYS 45 12.574 19.509 18.231 1.00 0.00 ATOM 327 CA CYS 45 12.976 18.184 18.764 1.00 0.00 ATOM 328 CB CYS 45 11.965 17.776 19.839 1.00 0.00 ATOM 329 SG CYS 45 12.077 18.767 21.347 1.00 0.00 ATOM 330 O CYS 45 13.950 16.321 17.604 1.00 0.00 ATOM 331 C CYS 45 13.026 17.137 17.665 1.00 0.00 ATOM 332 N ALA 46 12.023 17.207 16.853 1.00 0.00 ATOM 333 CA ALA 46 11.958 16.254 15.754 1.00 0.00 ATOM 334 CB ALA 46 10.624 16.401 15.017 1.00 0.00 ATOM 335 O ALA 46 13.844 15.459 14.504 1.00 0.00 ATOM 336 C ALA 46 13.173 16.432 14.852 1.00 0.00 ATOM 337 N VAL 47 13.457 17.675 14.475 1.00 0.00 ATOM 338 CA VAL 47 14.609 17.970 13.607 1.00 0.00 ATOM 339 CB VAL 47 14.622 19.493 13.249 1.00 0.00 ATOM 340 CG1 VAL 47 15.920 19.864 12.543 1.00 0.00 ATOM 341 CG2 VAL 47 13.427 19.827 12.359 1.00 0.00 ATOM 342 O VAL 47 16.856 17.073 13.640 1.00 0.00 ATOM 343 C VAL 47 15.948 17.586 14.293 1.00 0.00 ATOM 344 N HIS 48 16.050 17.840 15.595 1.00 0.00 ATOM 345 CA HIS 48 17.264 17.516 16.334 1.00 0.00 ATOM 346 CB HIS 48 17.572 18.642 17.316 1.00 0.00 ATOM 347 CG HIS 48 17.884 19.917 16.631 1.00 0.00 ATOM 348 CD2 HIS 48 17.173 21.058 16.498 1.00 0.00 ATOM 349 ND1 HIS 48 19.087 20.119 15.979 1.00 0.00 ATOM 350 CE1 HIS 48 19.082 21.326 15.442 1.00 0.00 ATOM 351 NE2 HIS 48 17.940 21.921 15.744 1.00 0.00 ATOM 352 O HIS 48 18.334 15.670 17.440 1.00 0.00 ATOM 353 C HIS 48 17.326 16.081 16.865 1.00 0.00 ATOM 354 N GLY 49 16.249 15.328 16.669 1.00 0.00 ATOM 355 CA GLY 49 16.200 13.946 17.131 1.00 0.00 ATOM 356 O GLY 49 16.433 12.760 19.204 1.00 0.00 ATOM 357 C GLY 49 16.120 13.814 18.648 1.00 0.00 ATOM 358 N ILE 50 15.700 14.884 19.316 1.00 0.00 ATOM 359 CA ILE 50 15.580 14.873 20.784 1.00 0.00 ATOM 360 CB ILE 50 15.989 16.244 21.371 1.00 0.00 ATOM 361 CG1 ILE 50 17.421 16.577 20.965 1.00 0.00 ATOM 362 CG2 ILE 50 15.770 16.202 22.897 1.00 0.00 ATOM 363 CD1 ILE 50 18.442 15.594 21.440 1.00 0.00 ATOM 364 O ILE 50 13.243 15.404 20.666 1.00 0.00 ATOM 365 C ILE 50 14.109 14.653 21.118 1.00 0.00 ATOM 366 N ASP 51 13.827 13.625 21.912 1.00 0.00 ATOM 367 CA ASP 51 12.430 13.310 22.311 1.00 0.00 ATOM 368 CB ASP 51 12.280 12.028 23.031 1.00 0.00 ATOM 369 CG ASP 51 12.673 10.851 22.188 1.00 0.00 ATOM 370 OD1 ASP 51 12.319 10.836 20.986 1.00 0.00 ATOM 371 OD2 ASP 51 13.333 9.949 22.727 1.00 0.00 ATOM 372 O ASP 51 12.523 14.893 24.115 1.00 0.00 ATOM 373 C ASP 51 11.878 14.453 23.164 1.00 0.00 ATOM 374 N ALA 52 10.684 14.928 22.821 1.00 0.00 ATOM 375 CA ALA 52 10.061 16.015 23.566 1.00 0.00 ATOM 376 CB ALA 52 8.722 16.502 23.033 1.00 0.00 ATOM 377 O ALA 52 10.053 16.536 25.914 1.00 0.00 ATOM 378 C ALA 52 9.932 15.664 25.052 1.00 0.00 ATOM 379 N ASP 53 9.688 14.391 25.345 1.00 0.00 ATOM 380 CA ASP 53 9.550 13.946 26.727 1.00 0.00 ATOM 381 CB ASP 53 9.277 12.491 26.906 1.00 0.00 ATOM 382 CG ASP 53 7.788 12.152 26.649 1.00 0.00 ATOM 383 OD1 ASP 53 6.931 13.064 26.568 1.00 0.00 ATOM 384 OD2 ASP 53 7.471 10.948 26.534 1.00 0.00 ATOM 385 O ASP 53 10.812 14.713 28.617 1.00 0.00 ATOM 386 C ASP 53 10.841 14.297 27.458 1.00 0.00 ATOM 387 N LYS 54 11.972 14.132 26.779 1.00 0.00 ATOM 388 CA LYS 54 13.288 14.438 27.385 1.00 0.00 ATOM 389 CB LYS 54 14.410 13.979 26.432 1.00 0.00 ATOM 390 CG LYS 54 14.495 12.442 26.449 1.00 0.00 ATOM 391 CD LYS 54 15.627 11.972 25.493 1.00 0.00 ATOM 392 CE LYS 54 15.921 10.488 25.755 1.00 0.00 ATOM 393 NZ LYS 54 16.942 10.044 24.744 1.00 0.00 ATOM 394 O LYS 54 13.852 16.381 28.684 1.00 0.00 ATOM 395 C LYS 54 13.418 15.942 27.618 1.00 0.00 ATOM 396 N LEU 55 13.038 16.746 26.615 1.00 0.00 ATOM 397 CA LEU 55 13.131 18.193 26.756 1.00 0.00 ATOM 398 CB LEU 55 12.795 18.885 25.429 1.00 0.00 ATOM 399 CG LEU 55 13.862 18.849 24.330 1.00 0.00 ATOM 400 CD1 LEU 55 13.266 19.258 22.988 1.00 0.00 ATOM 401 CD2 LEU 55 15.067 19.726 24.670 1.00 0.00 ATOM 402 O LEU 55 12.632 19.491 28.722 1.00 0.00 ATOM 403 C LEU 55 12.226 18.676 27.892 1.00 0.00 ATOM 404 N VAL 56 10.986 18.170 27.947 1.00 0.00 ATOM 405 CA VAL 56 10.072 18.582 28.999 1.00 0.00 ATOM 406 CB VAL 56 8.629 18.122 28.717 1.00 0.00 ATOM 407 CG1 VAL 56 7.714 18.373 29.924 1.00 0.00 ATOM 408 CG2 VAL 56 8.128 18.839 27.483 1.00 0.00 ATOM 409 O VAL 56 10.551 18.896 31.336 1.00 0.00 ATOM 410 C VAL 56 10.575 18.125 30.374 1.00 0.00 ATOM 411 N LYS 57 11.009 16.886 30.625 1.00 0.00 ATOM 412 CA LYS 57 11.581 16.506 31.914 1.00 0.00 ATOM 413 CB LYS 57 11.980 15.034 31.943 1.00 0.00 ATOM 414 CG LYS 57 10.798 14.118 32.125 1.00 0.00 ATOM 415 CD LYS 57 11.167 12.689 31.788 1.00 0.00 ATOM 416 CE LYS 57 11.871 12.028 32.939 1.00 0.00 ATOM 417 NZ LYS 57 12.034 10.571 32.667 1.00 0.00 ATOM 418 O LYS 57 12.978 17.726 33.436 1.00 0.00 ATOM 419 C LYS 57 12.808 17.334 32.281 1.00 0.00 ATOM 420 N GLU 58 13.661 17.600 31.296 1.00 0.00 ATOM 421 CA GLU 58 14.853 18.378 31.534 1.00 0.00 ATOM 422 CB GLU 58 15.755 18.350 30.257 1.00 0.00 ATOM 423 CG GLU 58 16.370 16.976 30.030 1.00 0.00 ATOM 424 CD GLU 58 17.117 16.833 28.732 1.00 0.00 ATOM 425 OE1 GLU 58 16.608 17.187 27.671 1.00 0.00 ATOM 426 OE2 GLU 58 18.235 16.250 28.778 1.00 0.00 ATOM 427 O GLU 58 15.113 20.379 32.831 1.00 0.00 ATOM 428 C GLU 58 14.501 19.809 31.927 1.00 0.00 ATOM 429 N LEU 59 13.515 20.386 31.248 1.00 0.00 ATOM 430 CA LEU 59 13.091 21.753 31.540 1.00 0.00 ATOM 431 CB LEU 59 11.965 22.195 30.615 1.00 0.00 ATOM 432 CG LEU 59 12.386 22.936 29.344 1.00 0.00 ATOM 433 CD1 LEU 59 11.219 22.981 28.367 1.00 0.00 ATOM 434 CD2 LEU 59 12.848 24.342 29.699 1.00 0.00 ATOM 435 O LEU 59 12.859 22.785 33.704 1.00 0.00 ATOM 436 C LEU 59 12.554 21.842 32.969 1.00 0.00 ATOM 437 N ASN 60 11.767 20.848 33.377 1.00 0.00 ATOM 438 CA ASN 60 11.215 20.814 34.726 1.00 0.00 ATOM 439 CB ASN 60 10.299 19.595 34.913 1.00 0.00 ATOM 440 CG ASN 60 9.009 19.692 34.119 1.00 0.00 ATOM 441 ND2 ASN 60 8.433 18.541 33.791 1.00 0.00 ATOM 442 OD1 ASN 60 8.521 20.785 33.828 1.00 0.00 ATOM 443 O ASN 60 12.327 21.371 36.786 1.00 0.00 ATOM 444 C ASN 60 12.346 20.697 35.755 1.00 0.00 ATOM 445 N GLU 61 13.328 19.848 35.468 1.00 0.00 ATOM 446 CA GLU 61 14.456 19.662 36.374 1.00 0.00 ATOM 447 CB GLU 61 15.393 18.607 35.784 1.00 0.00 ATOM 448 CG GLU 61 16.634 18.293 36.611 1.00 0.00 ATOM 449 CD GLU 61 17.536 17.278 35.926 1.00 0.00 ATOM 450 OE1 GLU 61 17.923 17.516 34.763 1.00 0.00 ATOM 451 OE2 GLU 61 17.858 16.242 36.543 1.00 0.00 ATOM 452 O GLU 61 15.392 21.427 37.691 1.00 0.00 ATOM 453 C GLU 61 15.188 20.980 36.561 1.00 0.00 ATOM 454 N TYR 62 15.484 21.656 35.454 1.00 0.00 ATOM 455 CA TYR 62 16.192 22.929 35.515 1.00 0.00 ATOM 456 CB TYR 62 16.460 23.420 34.090 1.00 0.00 ATOM 457 CG TYR 62 17.139 24.766 34.030 1.00 0.00 ATOM 458 CD1 TYR 62 18.458 24.921 34.451 1.00 0.00 ATOM 459 CD2 TYR 62 16.455 25.893 33.573 1.00 0.00 ATOM 460 CE1 TYR 62 19.081 26.166 34.424 1.00 0.00 ATOM 461 CE2 TYR 62 17.068 27.142 33.540 1.00 0.00 ATOM 462 CZ TYR 62 18.380 27.272 33.968 1.00 0.00 ATOM 463 OH TYR 62 18.990 28.506 33.950 1.00 0.00 ATOM 464 O TYR 62 15.940 24.753 37.067 1.00 0.00 ATOM 465 C TYR 62 15.390 23.985 36.277 1.00 0.00 ATOM 466 N PHE 63 14.074 24.031 36.045 1.00 0.00 ATOM 467 CA PHE 63 13.215 25.009 36.705 1.00 0.00 ATOM 468 CB PHE 63 11.787 24.967 36.319 1.00 0.00 ATOM 469 CG PHE 63 11.557 25.548 34.960 1.00 0.00 ATOM 470 CD1 PHE 63 12.604 26.168 34.270 1.00 0.00 ATOM 471 CD2 PHE 63 10.313 25.462 34.352 1.00 0.00 ATOM 472 CE1 PHE 63 12.414 26.692 32.980 1.00 0.00 ATOM 473 CE2 PHE 63 10.116 25.998 33.041 1.00 0.00 ATOM 474 CZ PHE 63 11.180 26.607 32.374 1.00 0.00 ATOM 475 O PHE 63 13.140 25.808 38.965 1.00 0.00 ATOM 476 C PHE 63 13.201 24.828 38.224 1.00 0.00 ATOM 477 N GLU 64 13.200 23.583 38.655 1.00 0.00 ATOM 478 CA GLU 64 13.377 23.239 40.067 1.00 0.00 ATOM 479 CB GLU 64 13.385 21.733 40.313 1.00 0.00 ATOM 480 CG GLU 64 12.018 21.107 40.052 1.00 0.00 ATOM 481 CD GLU 64 11.974 19.608 40.130 1.00 0.00 ATOM 482 OE1 GLU 64 12.938 18.956 39.650 1.00 0.00 ATOM 483 OE2 GLU 64 10.921 19.071 40.520 1.00 0.00 ATOM 484 O GLU 64 14.699 24.457 41.658 1.00 0.00 ATOM 485 C GLU 64 14.675 23.850 40.586 1.00 0.00 ATOM 486 N LYS 65 15.750 23.701 39.818 1.00 0.00 ATOM 487 CA LYS 65 17.049 24.262 40.209 1.00 0.00 ATOM 488 CB LYS 65 18.135 23.542 39.258 1.00 0.00 ATOM 489 CG LYS 65 18.291 22.035 39.411 1.00 0.00 ATOM 490 CD LYS 65 19.365 21.517 38.463 1.00 0.00 ATOM 491 CE LYS 65 19.763 20.071 38.770 1.00 0.00 ATOM 492 NZ LYS 65 20.753 19.601 37.761 1.00 0.00 ATOM 493 O LYS 65 17.773 26.410 40.996 1.00 0.00 ATOM 494 C LYS 65 17.071 25.787 40.198 1.00 0.00 ATOM 495 N LYS 66 16.265 26.384 39.253 1.00 0.00 ATOM 496 CA LYS 66 16.254 27.841 39.210 1.00 0.00 ATOM 497 CB LYS 66 17.172 28.180 37.913 1.00 0.00 ATOM 498 CG LYS 66 18.507 27.453 37.857 1.00 0.00 ATOM 499 CD LYS 66 19.383 27.782 39.055 1.00 0.00 ATOM 500 CE LYS 66 20.710 27.038 38.991 1.00 0.00 ATOM 501 NZ LYS 66 21.453 27.353 37.737 1.00 0.00 ATOM 502 O LYS 66 14.817 29.684 39.752 1.00 0.00 ATOM 503 C LYS 66 15.038 28.478 39.874 1.00 0.00 ATOM 504 N GLU 67 14.253 27.669 40.577 1.00 0.00 ATOM 505 CA GLU 67 13.048 28.173 41.268 1.00 0.00 ATOM 506 CB GLU 67 13.292 28.601 42.643 1.00 0.00 ATOM 507 CG GLU 67 13.589 27.423 43.556 1.00 0.00 ATOM 508 CD GLU 67 13.697 27.825 45.016 1.00 0.00 ATOM 509 OE1 GLU 67 13.925 26.935 45.861 1.00 0.00 ATOM 510 OE2 GLU 67 13.554 29.029 45.318 1.00 0.00 ATOM 511 O GLU 67 11.642 29.999 40.571 1.00 0.00 ATOM 512 C GLU 67 12.148 28.916 40.270 1.00 0.00 ATOM 513 N VAL 68 11.953 28.333 39.093 1.00 0.00 ATOM 514 CA VAL 68 11.114 28.950 38.072 1.00 0.00 ATOM 515 CB VAL 68 11.918 29.658 36.946 1.00 0.00 ATOM 516 CG1 VAL 68 12.784 30.767 37.531 1.00 0.00 ATOM 517 CG2 VAL 68 12.754 28.680 36.148 1.00 0.00 ATOM 518 O VAL 68 9.990 26.837 38.143 1.00 0.00 ATOM 519 C VAL 68 10.099 27.927 37.544 1.00 0.00 TER END