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 4 Mon Jun 30 21:53:00 2008 MODEL 4 PARENT N/A ATOM 1 N MET 1 7.726 31.785 35.498 1.00 0.00 ATOM 2 CA MET 1 7.931 31.597 34.050 1.00 0.00 ATOM 3 CB MET 1 9.409 31.751 33.701 1.00 0.00 ATOM 4 CG MET 1 9.714 31.701 32.210 1.00 0.00 ATOM 5 SD MET 1 8.951 33.059 31.300 1.00 0.00 ATOM 6 CE MET 1 9.885 34.453 31.926 1.00 0.00 ATOM 7 O MET 1 7.334 29.328 34.364 1.00 0.00 ATOM 8 C MET 1 7.431 30.244 33.563 1.00 0.00 ATOM 9 N LYS 2 6.963 30.250 32.325 1.00 0.00 ATOM 10 CA LYS 2 6.441 29.028 31.679 1.00 0.00 ATOM 11 CB LYS 2 4.912 29.039 31.668 1.00 0.00 ATOM 12 CG LYS 2 4.272 28.953 33.048 1.00 0.00 ATOM 13 CD LYS 2 2.755 28.920 32.953 1.00 0.00 ATOM 14 CE LYS 2 2.114 28.856 34.332 1.00 0.00 ATOM 15 NZ LYS 2 0.628 28.841 34.255 1.00 0.00 ATOM 16 O LYS 2 7.149 29.890 29.548 1.00 0.00 ATOM 17 C LYS 2 6.981 28.896 30.259 1.00 0.00 ATOM 18 N ILE 3 7.087 27.646 29.829 1.00 0.00 ATOM 19 CA ILE 3 7.521 27.359 28.455 1.00 0.00 ATOM 20 CB ILE 3 8.709 26.380 28.431 1.00 0.00 ATOM 21 CG1 ILE 3 9.968 27.054 28.983 1.00 0.00 ATOM 22 CG2 ILE 3 8.950 25.871 27.018 1.00 0.00 ATOM 23 CD1 ILE 3 11.117 26.101 29.219 1.00 0.00 ATOM 24 O ILE 3 5.757 25.798 28.068 1.00 0.00 ATOM 25 C ILE 3 6.359 26.782 27.651 1.00 0.00 ATOM 26 N THR 4 6.336 27.222 26.406 1.00 0.00 ATOM 27 CA THR 4 5.391 26.669 25.426 1.00 0.00 ATOM 28 CB THR 4 4.490 27.732 24.806 1.00 0.00 ATOM 29 CG2 THR 4 3.370 27.104 23.955 1.00 0.00 ATOM 30 OG1 THR 4 3.856 28.336 25.913 1.00 0.00 ATOM 31 O THR 4 6.700 26.540 23.408 1.00 0.00 ATOM 32 C THR 4 6.145 25.943 24.329 1.00 0.00 ATOM 33 N LYS 5 5.991 24.638 24.446 1.00 0.00 ATOM 34 CA LYS 5 6.513 23.629 23.497 1.00 0.00 ATOM 35 CB LYS 5 6.164 22.217 23.970 1.00 0.00 ATOM 36 CG LYS 5 4.679 21.882 23.907 1.00 0.00 ATOM 37 CD LYS 5 4.407 20.477 24.422 1.00 0.00 ATOM 38 CE LYS 5 2.929 20.125 24.318 1.00 0.00 ATOM 39 NZ LYS 5 2.645 18.760 24.837 1.00 0.00 ATOM 40 O LYS 5 6.720 23.428 21.122 1.00 0.00 ATOM 41 C LYS 5 5.999 23.807 22.051 1.00 0.00 ATOM 42 N ASP 6 4.875 24.473 21.906 1.00 0.00 ATOM 43 CA ASP 6 4.206 24.645 20.597 1.00 0.00 ATOM 44 CB ASP 6 2.687 24.534 20.752 1.00 0.00 ATOM 45 CG ASP 6 2.201 23.174 21.235 1.00 0.00 ATOM 46 OD1 ASP 6 2.631 22.184 20.691 1.00 0.00 ATOM 47 OD2 ASP 6 1.532 23.128 22.239 1.00 0.00 ATOM 48 O ASP 6 4.135 26.214 18.773 1.00 0.00 ATOM 49 C ASP 6 4.530 25.970 19.901 1.00 0.00 ATOM 50 N MET 7 5.176 26.885 20.625 1.00 0.00 ATOM 51 CA MET 7 5.572 28.198 20.075 1.00 0.00 ATOM 52 CB MET 7 5.443 29.279 21.147 1.00 0.00 ATOM 53 CG MET 7 4.017 29.544 21.604 1.00 0.00 ATOM 54 SD MET 7 3.930 30.744 22.949 1.00 0.00 ATOM 55 CE MET 7 2.158 30.875 23.173 1.00 0.00 ATOM 56 O MET 7 7.791 27.301 19.948 1.00 0.00 ATOM 57 C MET 7 7.005 28.163 19.527 1.00 0.00 ATOM 58 N ILE 8 7.359 29.137 18.685 1.00 0.00 ATOM 59 CA ILE 8 8.755 29.273 18.195 1.00 0.00 ATOM 60 CB ILE 8 8.939 30.553 17.359 1.00 0.00 ATOM 61 CG1 ILE 8 8.432 31.773 18.132 1.00 0.00 ATOM 62 CG2 ILE 8 8.215 30.426 16.026 1.00 0.00 ATOM 63 CD1 ILE 8 8.761 33.093 17.474 1.00 0.00 ATOM 64 O ILE 8 9.384 29.871 20.470 1.00 0.00 ATOM 65 C ILE 8 9.689 29.279 19.420 1.00 0.00 ATOM 66 N ILE 9 10.813 28.581 19.301 1.00 0.00 ATOM 67 CA ILE 9 11.836 28.545 20.370 1.00 0.00 ATOM 68 CB ILE 9 13.046 27.683 19.965 1.00 0.00 ATOM 69 CG1 ILE 9 12.680 26.197 20.003 1.00 0.00 ATOM 70 CG2 ILE 9 14.230 27.966 20.878 1.00 0.00 ATOM 71 CD1 ILE 9 13.785 25.284 19.524 1.00 0.00 ATOM 72 O ILE 9 12.618 30.228 21.893 1.00 0.00 ATOM 73 C ILE 9 12.328 29.949 20.730 1.00 0.00 ATOM 74 N ALA 10 12.386 30.840 19.734 1.00 0.00 ATOM 75 CA ALA 10 12.834 32.233 19.945 1.00 0.00 ATOM 76 CB ALA 10 12.859 33.049 18.665 1.00 0.00 ATOM 77 O ALA 10 12.451 33.607 21.846 1.00 0.00 ATOM 78 C ALA 10 11.934 32.979 20.923 1.00 0.00 ATOM 79 N ASP 11 10.639 32.771 20.785 1.00 0.00 ATOM 80 CA ASP 11 9.647 33.389 21.693 1.00 0.00 ATOM 81 CB ASP 11 8.225 33.129 21.190 1.00 0.00 ATOM 82 CG ASP 11 7.137 33.827 21.994 1.00 0.00 ATOM 83 OD1 ASP 11 7.137 35.034 22.035 1.00 0.00 ATOM 84 OD2 ASP 11 6.227 33.161 22.428 1.00 0.00 ATOM 85 O ASP 11 9.873 33.655 24.066 1.00 0.00 ATOM 86 C ASP 11 9.799 32.871 23.114 1.00 0.00 ATOM 87 N VAL 12 10.046 31.573 23.185 1.00 0.00 ATOM 88 CA VAL 12 10.329 30.885 24.453 1.00 0.00 ATOM 89 CB VAL 12 10.527 29.377 24.208 1.00 0.00 ATOM 90 CG1 VAL 12 10.976 28.664 25.469 1.00 0.00 ATOM 91 CG2 VAL 12 9.225 28.695 23.761 1.00 0.00 ATOM 92 O VAL 12 11.482 31.874 26.322 1.00 0.00 ATOM 93 C VAL 12 11.546 31.521 25.155 1.00 0.00 ATOM 94 N LEU 13 12.618 31.626 24.391 1.00 0.00 ATOM 95 CA LEU 13 13.898 32.173 24.872 1.00 0.00 ATOM 96 CB LEU 13 14.969 32.053 23.781 1.00 0.00 ATOM 97 CG LEU 13 16.414 32.230 24.262 1.00 0.00 ATOM 98 CD1 LEU 13 17.385 31.845 23.155 1.00 0.00 ATOM 99 CD2 LEU 13 16.633 33.674 24.693 1.00 0.00 ATOM 100 O LEU 13 14.399 34.046 26.301 1.00 0.00 ATOM 101 C LEU 13 13.797 33.624 25.320 1.00 0.00 ATOM 102 N GLN 14 13.095 34.417 24.524 1.00 0.00 ATOM 103 CA GLN 14 12.872 35.835 24.846 1.00 0.00 ATOM 104 CB GLN 14 12.058 36.514 23.741 1.00 0.00 ATOM 105 CG GLN 14 11.848 38.004 23.948 1.00 0.00 ATOM 106 CD GLN 14 13.147 38.785 23.895 1.00 0.00 ATOM 107 OE1 GLN 14 13.976 38.576 23.005 1.00 0.00 ATOM 108 NE2 GLN 14 13.334 39.687 24.850 1.00 0.00 ATOM 109 O GLN 14 12.650 36.656 27.063 1.00 0.00 ATOM 110 C GLN 14 12.154 35.966 26.185 1.00 0.00 ATOM 111 N MET 15 11.097 35.158 26.318 1.00 0.00 ATOM 112 CA MET 15 10.341 35.092 27.575 1.00 0.00 ATOM 113 CB MET 15 9.153 34.144 27.428 1.00 0.00 ATOM 114 CG MET 15 8.022 34.682 26.563 1.00 0.00 ATOM 115 SD MET 15 6.544 33.650 26.632 1.00 0.00 ATOM 116 CE MET 15 7.067 32.243 25.655 1.00 0.00 ATOM 117 O MET 15 11.521 35.448 29.607 1.00 0.00 ATOM 118 C MET 15 11.265 34.640 28.721 1.00 0.00 ATOM 119 N ASP 16 11.954 33.532 28.513 1.00 0.00 ATOM 120 CA ASP 16 12.842 32.942 29.535 1.00 0.00 ATOM 121 CB ASP 16 12.325 31.566 29.964 1.00 0.00 ATOM 122 CG ASP 16 13.133 30.909 31.076 1.00 0.00 ATOM 123 OD1 ASP 16 14.126 31.472 31.474 1.00 0.00 ATOM 124 OD2 ASP 16 12.670 29.938 31.624 1.00 0.00 ATOM 125 O ASP 16 14.700 31.844 28.413 1.00 0.00 ATOM 126 C ASP 16 14.287 32.813 29.049 1.00 0.00 ATOM 127 N ARG 17 15.053 33.835 29.358 1.00 0.00 ATOM 128 CA ARG 17 16.477 33.889 28.970 1.00 0.00 ATOM 129 CB ARG 17 17.103 35.242 29.273 1.00 0.00 ATOM 130 CG ARG 17 16.633 36.379 28.379 1.00 0.00 ATOM 131 CD ARG 17 17.196 37.707 28.732 1.00 0.00 ATOM 132 NE ARG 17 16.731 38.800 27.893 1.00 0.00 ATOM 133 CZ ARG 17 17.045 40.097 28.082 1.00 0.00 ATOM 134 NH1 ARG 17 17.791 40.472 29.097 1.00 0.00 ATOM 135 NH2 ARG 17 16.564 40.986 27.231 1.00 0.00 ATOM 136 O ARG 17 18.181 32.176 28.944 1.00 0.00 ATOM 137 C ARG 17 17.301 32.742 29.610 1.00 0.00 ATOM 138 N GLY 18 16.994 32.404 30.856 1.00 0.00 ATOM 139 CA GLY 18 17.654 31.316 31.617 1.00 0.00 ATOM 140 O GLY 18 18.275 28.998 31.290 1.00 0.00 ATOM 141 C GLY 18 17.439 29.885 31.084 1.00 0.00 ATOM 142 N THR 19 16.382 29.689 30.290 1.00 0.00 ATOM 143 CA THR 19 16.075 28.352 29.710 1.00 0.00 ATOM 144 CB THR 19 14.555 28.164 29.533 1.00 0.00 ATOM 145 CG2 THR 19 13.992 28.955 28.347 1.00 0.00 ATOM 146 OG1 THR 19 14.250 26.793 29.300 1.00 0.00 ATOM 147 O THR 19 17.021 26.806 28.091 1.00 0.00 ATOM 148 C THR 19 16.897 27.987 28.460 1.00 0.00 ATOM 149 N ALA 20 17.542 28.975 27.836 1.00 0.00 ATOM 150 CA ALA 20 18.467 28.752 26.688 1.00 0.00 ATOM 151 CB ALA 20 19.032 30.060 26.134 1.00 0.00 ATOM 152 O ALA 20 19.913 26.919 26.175 1.00 0.00 ATOM 153 C ALA 20 19.639 27.788 26.992 1.00 0.00 ATOM 154 N PRO 21 20.282 27.885 28.182 1.00 0.00 ATOM 155 CA PRO 21 21.351 26.942 28.579 1.00 0.00 ATOM 156 CB PRO 21 21.770 27.370 29.976 1.00 0.00 ATOM 157 CG PRO 21 21.570 28.872 29.857 1.00 0.00 ATOM 158 CD PRO 21 20.250 29.003 29.131 1.00 0.00 ATOM 159 O PRO 21 21.565 24.588 28.165 1.00 0.00 ATOM 160 C PRO 21 20.864 25.499 28.606 1.00 0.00 ATOM 161 N ILE 22 19.611 25.304 29.005 1.00 0.00 ATOM 162 CA ILE 22 18.991 23.959 28.990 1.00 0.00 ATOM 163 CB ILE 22 17.630 23.956 29.710 1.00 0.00 ATOM 164 CG1 ILE 22 17.809 24.304 31.190 1.00 0.00 ATOM 165 CG2 ILE 22 16.950 22.604 29.558 1.00 0.00 ATOM 166 CD1 ILE 22 18.677 23.325 31.948 1.00 0.00 ATOM 167 O ILE 22 19.155 22.319 27.236 1.00 0.00 ATOM 168 C ILE 22 18.798 23.450 27.564 1.00 0.00 ATOM 169 N PHE 23 18.236 24.327 26.750 1.00 0.00 ATOM 170 CA PHE 23 17.871 23.982 25.362 1.00 0.00 ATOM 171 CB PHE 23 17.142 25.150 24.695 1.00 0.00 ATOM 172 CG PHE 23 15.699 25.270 25.095 1.00 0.00 ATOM 173 CD1 PHE 23 15.107 26.516 25.241 1.00 0.00 ATOM 174 CD2 PHE 23 14.931 24.139 25.326 1.00 0.00 ATOM 175 CE1 PHE 23 13.778 26.628 25.608 1.00 0.00 ATOM 176 CE2 PHE 23 13.603 24.248 25.692 1.00 0.00 ATOM 177 CZ PHE 23 13.027 25.493 25.834 1.00 0.00 ATOM 178 O PHE 23 18.957 22.674 23.649 1.00 0.00 ATOM 179 C PHE 23 19.045 23.587 24.483 1.00 0.00 ATOM 180 N ILE 24 20.164 24.248 24.719 1.00 0.00 ATOM 181 CA ILE 24 21.390 23.981 23.955 1.00 0.00 ATOM 182 CB ILE 24 22.401 25.121 24.110 1.00 0.00 ATOM 183 CG1 ILE 24 22.812 25.232 25.574 1.00 0.00 ATOM 184 CG2 ILE 24 21.805 26.417 23.532 1.00 0.00 ATOM 185 CD1 ILE 24 23.920 26.240 25.830 1.00 0.00 ATOM 186 O ILE 24 22.586 21.980 23.384 1.00 0.00 ATOM 187 C ILE 24 21.972 22.587 24.249 1.00 0.00 ATOM 188 N ASN 25 21.588 22.030 25.401 1.00 0.00 ATOM 189 CA ASN 25 21.971 20.646 25.763 1.00 0.00 ATOM 190 CB ASN 25 22.192 20.505 27.258 1.00 0.00 ATOM 191 CG ASN 25 23.419 21.215 27.759 1.00 0.00 ATOM 192 ND2 ASN 25 23.409 21.532 29.029 1.00 0.00 ATOM 193 OD1 ASN 25 24.394 21.406 27.023 1.00 0.00 ATOM 194 O ASN 25 21.251 18.384 25.422 1.00 0.00 ATOM 195 C ASN 25 20.972 19.579 25.319 1.00 0.00 ATOM 196 N ASN 26 19.888 20.040 24.743 1.00 0.00 ATOM 197 CA ASN 26 18.807 19.151 24.288 1.00 0.00 ATOM 198 CB ASN 26 17.581 19.616 25.027 1.00 0.00 ATOM 199 CG ASN 26 17.572 19.298 26.511 1.00 0.00 ATOM 200 ND2 ASN 26 16.816 20.109 27.186 1.00 0.00 ATOM 201 OD1 ASN 26 18.221 18.384 27.010 1.00 0.00 ATOM 202 O ASN 26 17.409 19.055 22.318 1.00 0.00 ATOM 203 C ASN 26 18.555 19.186 22.779 1.00 0.00 ATOM 204 N GLY 27 19.613 19.434 22.027 1.00 0.00 ATOM 205 CA GLY 27 19.554 19.475 20.552 1.00 0.00 ATOM 206 O GLY 27 19.131 20.919 18.701 1.00 0.00 ATOM 207 C GLY 27 19.126 20.804 19.925 1.00 0.00 ATOM 208 N MET 28 19.126 21.882 20.704 1.00 0.00 ATOM 209 CA MET 28 18.829 23.226 20.176 1.00 0.00 ATOM 210 CB MET 28 17.700 23.859 20.992 1.00 0.00 ATOM 211 CG MET 28 16.391 23.066 21.008 1.00 0.00 ATOM 212 SD MET 28 15.218 23.847 22.170 1.00 0.00 ATOM 213 CE MET 28 13.918 22.649 22.089 1.00 0.00 ATOM 214 O MET 28 20.004 25.341 20.486 1.00 0.00 ATOM 215 C MET 28 20.069 24.137 20.261 1.00 0.00 ATOM 216 N HIS 29 21.248 23.548 20.178 1.00 0.00 ATOM 217 CA HIS 29 22.514 24.312 20.257 1.00 0.00 ATOM 218 CB HIS 29 23.711 23.366 20.392 1.00 0.00 ATOM 219 CG HIS 29 23.960 22.532 19.174 1.00 0.00 ATOM 220 CD2 HIS 29 24.850 22.673 18.164 1.00 0.00 ATOM 221 ND1 HIS 29 23.238 21.392 18.893 1.00 0.00 ATOM 222 CE1 HIS 29 23.674 20.866 17.760 1.00 0.00 ATOM 223 NE2 HIS 29 24.651 21.624 17.299 1.00 0.00 ATOM 224 O HIS 29 23.488 26.224 19.154 1.00 0.00 ATOM 225 C HIS 29 22.758 25.237 19.055 1.00 0.00 ATOM 226 N CYS 30 22.028 24.953 17.973 1.00 0.00 ATOM 227 CA CYS 30 21.966 25.708 16.709 1.00 0.00 ATOM 228 CB CYS 30 20.935 25.020 15.827 1.00 0.00 ATOM 229 SG CYS 30 19.285 24.915 16.644 1.00 0.00 ATOM 230 O CYS 30 22.038 28.044 16.219 1.00 0.00 ATOM 231 C CYS 30 21.559 27.172 16.919 1.00 0.00 ATOM 232 N LEU 31 20.566 27.387 17.787 1.00 0.00 ATOM 233 CA LEU 31 20.135 28.740 18.143 1.00 0.00 ATOM 234 CB LEU 31 18.966 28.827 19.151 1.00 0.00 ATOM 235 CG LEU 31 18.484 27.509 19.761 1.00 0.00 ATOM 236 CD1 LEU 31 18.059 27.699 21.219 1.00 0.00 ATOM 237 CD2 LEU 31 17.363 26.866 18.940 1.00 0.00 ATOM 238 O LEU 31 22.096 30.145 18.079 1.00 0.00 ATOM 239 C LEU 31 21.395 29.377 18.724 1.00 0.00 ATOM 240 N GLY 32 21.686 28.902 19.925 1.00 0.00 ATOM 241 CA GLY 32 22.451 29.699 20.897 1.00 0.00 ATOM 242 O GLY 32 20.922 30.819 22.343 1.00 0.00 ATOM 243 C GLY 32 21.509 30.845 21.252 1.00 0.00 ATOM 244 N CYS 33 21.122 31.574 20.220 1.00 0.00 ATOM 245 CA CYS 33 19.987 32.514 20.178 1.00 0.00 ATOM 246 CB CYS 33 20.375 33.887 20.706 1.00 0.00 ATOM 247 SG CYS 33 20.736 33.774 22.484 1.00 0.00 ATOM 248 O CYS 33 18.155 32.878 18.779 1.00 0.00 ATOM 249 C CYS 33 19.363 32.680 18.788 1.00 0.00 ATOM 250 N PRO 34 20.093 32.749 17.668 1.00 0.00 ATOM 251 CA PRO 34 19.389 32.900 16.387 1.00 0.00 ATOM 252 CB PRO 34 20.356 33.583 15.432 1.00 0.00 ATOM 253 CG PRO 34 21.726 33.455 16.088 1.00 0.00 ATOM 254 CD PRO 34 21.451 33.320 17.580 1.00 0.00 ATOM 255 O PRO 34 17.425 32.038 15.383 1.00 0.00 ATOM 256 C PRO 34 18.564 31.784 15.757 1.00 0.00 ATOM 257 N SER 35 19.012 30.534 15.781 1.00 0.00 ATOM 258 CA SER 35 18.204 29.439 15.192 1.00 0.00 ATOM 259 CB SER 35 19.032 28.178 14.970 1.00 0.00 ATOM 260 OG SER 35 20.196 28.524 14.214 1.00 0.00 ATOM 261 O SER 35 16.100 28.303 15.649 1.00 0.00 ATOM 262 C SER 35 16.936 29.111 16.009 1.00 0.00 ATOM 263 N SER 36 16.810 29.795 17.146 1.00 0.00 ATOM 264 CA SER 36 15.617 29.724 18.012 1.00 0.00 ATOM 265 CB SER 36 15.748 30.753 19.113 1.00 0.00 ATOM 266 OG SER 36 15.726 32.076 18.586 1.00 0.00 ATOM 267 O SER 36 13.297 29.434 17.436 1.00 0.00 ATOM 268 C SER 36 14.357 30.041 17.218 1.00 0.00 ATOM 269 N MET 37 14.450 31.066 16.377 1.00 0.00 ATOM 270 CA MET 37 13.335 31.424 15.501 1.00 0.00 ATOM 271 CB MET 37 13.403 32.907 15.140 1.00 0.00 ATOM 272 CG MET 37 12.199 33.420 14.364 1.00 0.00 ATOM 273 SD MET 37 12.268 35.200 14.070 1.00 0.00 ATOM 274 CE MET 37 11.928 35.826 15.713 1.00 0.00 ATOM 275 O MET 37 14.404 29.895 13.984 1.00 0.00 ATOM 276 C MET 37 13.397 30.539 14.269 1.00 0.00 ATOM 277 N GLY 38 12.191 30.291 13.760 1.00 0.00 ATOM 278 CA GLY 38 11.999 29.389 12.630 1.00 0.00 ATOM 279 O GLY 38 11.525 27.174 12.066 1.00 0.00 ATOM 280 C GLY 38 11.671 27.948 13.014 1.00 0.00 ATOM 281 N GLU 39 11.361 27.681 14.264 1.00 0.00 ATOM 282 CA GLU 39 10.996 26.338 14.787 1.00 0.00 ATOM 283 CB GLU 39 12.184 25.380 14.682 1.00 0.00 ATOM 284 CG GLU 39 13.372 25.752 15.558 1.00 0.00 ATOM 285 CD GLU 39 14.523 24.809 15.348 1.00 0.00 ATOM 286 OE1 GLU 39 14.413 23.943 14.514 1.00 0.00 ATOM 287 OE2 GLU 39 15.554 25.021 15.941 1.00 0.00 ATOM 288 O GLU 39 11.134 27.006 17.100 1.00 0.00 ATOM 289 C GLU 39 10.509 26.375 16.234 1.00 0.00 ATOM 290 N SER 40 9.478 25.590 16.524 1.00 0.00 ATOM 291 CA SER 40 8.968 25.416 17.904 1.00 0.00 ATOM 292 CB SER 40 7.489 24.989 17.911 1.00 0.00 ATOM 293 OG SER 40 7.353 23.647 17.456 1.00 0.00 ATOM 294 O SER 40 10.623 23.691 18.074 1.00 0.00 ATOM 295 C SER 40 9.780 24.366 18.664 1.00 0.00 ATOM 296 N ILE 41 9.528 24.196 19.958 1.00 0.00 ATOM 297 CA ILE 41 10.179 23.109 20.722 1.00 0.00 ATOM 298 CB ILE 41 9.722 23.099 22.192 1.00 0.00 ATOM 299 CG1 ILE 41 10.332 24.282 22.948 1.00 0.00 ATOM 300 CG2 ILE 41 10.101 21.785 22.858 1.00 0.00 ATOM 301 CD1 ILE 41 9.849 24.408 24.375 1.00 0.00 ATOM 302 O ILE 41 10.796 20.940 19.890 1.00 0.00 ATOM 303 C ILE 41 9.881 21.737 20.089 1.00 0.00 ATOM 304 N GLU 42 8.608 21.496 19.808 1.00 0.00 ATOM 305 CA GLU 42 8.164 20.238 19.183 1.00 0.00 ATOM 306 CB GLU 42 6.650 20.254 18.961 1.00 0.00 ATOM 307 CG GLU 42 5.827 20.083 20.231 1.00 0.00 ATOM 308 CD GLU 42 6.102 18.757 20.885 1.00 0.00 ATOM 309 OE1 GLU 42 6.024 17.757 20.213 1.00 0.00 ATOM 310 OE2 GLU 42 6.499 18.752 22.027 1.00 0.00 ATOM 311 O GLU 42 9.550 18.938 17.715 1.00 0.00 ATOM 312 C GLU 42 8.870 19.964 17.851 1.00 0.00 ATOM 313 N ASP 43 8.811 20.940 16.954 1.00 0.00 ATOM 314 CA ASP 43 9.477 20.865 15.633 1.00 0.00 ATOM 315 CB ASP 43 9.132 22.095 14.788 1.00 0.00 ATOM 316 CG ASP 43 7.706 22.112 14.255 1.00 0.00 ATOM 317 OD1 ASP 43 7.053 21.097 14.326 1.00 0.00 ATOM 318 OD2 ASP 43 7.229 23.172 13.927 1.00 0.00 ATOM 319 O ASP 43 11.595 19.836 15.136 1.00 0.00 ATOM 320 C ASP 43 10.998 20.739 15.723 1.00 0.00 ATOM 321 N ALA 44 11.561 21.503 16.648 1.00 0.00 ATOM 322 CA ALA 44 13.016 21.467 16.886 1.00 0.00 ATOM 323 CB ALA 44 13.389 22.452 17.962 1.00 0.00 ATOM 324 O ALA 44 14.501 19.563 16.926 1.00 0.00 ATOM 325 C ALA 44 13.486 20.092 17.372 1.00 0.00 ATOM 326 N CYS 45 12.699 19.503 18.265 1.00 0.00 ATOM 327 CA CYS 45 12.973 18.146 18.765 1.00 0.00 ATOM 328 CB CYS 45 12.027 17.850 19.911 1.00 0.00 ATOM 329 SG CYS 45 12.548 18.861 21.340 1.00 0.00 ATOM 330 O CYS 45 13.863 16.332 17.486 1.00 0.00 ATOM 331 C CYS 45 12.907 17.096 17.671 1.00 0.00 ATOM 332 N ALA 46 11.907 17.238 16.819 1.00 0.00 ATOM 333 CA ALA 46 11.719 16.338 15.667 1.00 0.00 ATOM 334 CB ALA 46 10.364 16.645 15.032 1.00 0.00 ATOM 335 O ALA 46 13.595 15.457 14.444 1.00 0.00 ATOM 336 C ALA 46 12.909 16.447 14.692 1.00 0.00 ATOM 337 N VAL 47 13.375 17.675 14.488 1.00 0.00 ATOM 338 CA VAL 47 14.505 17.948 13.567 1.00 0.00 ATOM 339 CB VAL 47 14.535 19.425 13.131 1.00 0.00 ATOM 340 CG1 VAL 47 15.779 19.712 12.305 1.00 0.00 ATOM 341 CG2 VAL 47 13.281 19.773 12.342 1.00 0.00 ATOM 342 O VAL 47 16.808 17.322 13.327 1.00 0.00 ATOM 343 C VAL 47 15.898 17.631 14.101 1.00 0.00 ATOM 344 N HIS 48 16.044 17.787 15.405 1.00 0.00 ATOM 345 CA HIS 48 17.326 17.507 16.070 1.00 0.00 ATOM 346 CB HIS 48 17.588 18.657 17.056 1.00 0.00 ATOM 347 CG HIS 48 17.884 19.956 16.289 1.00 0.00 ATOM 348 CD2 HIS 48 17.300 21.140 16.500 1.00 0.00 ATOM 349 ND1 HIS 48 18.751 20.108 15.291 1.00 0.00 ATOM 350 CE1 HIS 48 18.705 21.384 14.891 1.00 0.00 ATOM 351 NE2 HIS 48 17.822 22.019 15.648 1.00 0.00 ATOM 352 O HIS 48 18.379 15.790 17.397 1.00 0.00 ATOM 353 C HIS 48 17.390 16.127 16.733 1.00 0.00 ATOM 354 N GLY 49 16.353 15.331 16.496 1.00 0.00 ATOM 355 CA GLY 49 16.237 13.966 17.039 1.00 0.00 ATOM 356 O GLY 49 16.756 12.832 19.103 1.00 0.00 ATOM 357 C GLY 49 16.283 13.837 18.564 1.00 0.00 ATOM 358 N ILE 50 15.725 14.839 19.202 1.00 0.00 ATOM 359 CA ILE 50 15.582 14.841 20.667 1.00 0.00 ATOM 360 CB ILE 50 16.077 16.167 21.268 1.00 0.00 ATOM 361 CG1 ILE 50 17.592 16.314 21.052 1.00 0.00 ATOM 362 CG2 ILE 50 15.687 16.308 22.747 1.00 0.00 ATOM 363 CD1 ILE 50 18.487 15.355 21.867 1.00 0.00 ATOM 364 O ILE 50 13.217 15.234 20.493 1.00 0.00 ATOM 365 C ILE 50 14.113 14.542 20.966 1.00 0.00 ATOM 366 N ASP 51 13.909 13.526 21.792 1.00 0.00 ATOM 367 CA ASP 51 12.558 13.127 22.214 1.00 0.00 ATOM 368 CB ASP 51 12.608 11.823 23.013 1.00 0.00 ATOM 369 CG ASP 51 12.886 10.582 22.176 1.00 0.00 ATOM 370 OD1 ASP 51 12.856 10.683 20.972 1.00 0.00 ATOM 371 OD2 ASP 51 13.276 9.587 22.737 1.00 0.00 ATOM 372 O ASP 51 12.653 14.862 23.890 1.00 0.00 ATOM 373 C ASP 51 11.972 14.280 23.031 1.00 0.00 ATOM 374 N ALA 52 10.746 14.635 22.685 1.00 0.00 ATOM 375 CA ALA 52 10.037 15.707 23.419 1.00 0.00 ATOM 376 CB ALA 52 8.638 15.888 22.848 1.00 0.00 ATOM 377 O ALA 52 10.161 16.346 25.731 1.00 0.00 ATOM 378 C ALA 52 9.967 15.425 24.931 1.00 0.00 ATOM 379 N ASP 53 9.898 14.160 25.307 1.00 0.00 ATOM 380 CA ASP 53 9.906 13.727 26.719 1.00 0.00 ATOM 381 CB ASP 53 9.655 12.220 26.820 1.00 0.00 ATOM 382 CG ASP 53 8.221 11.800 26.526 1.00 0.00 ATOM 383 OD1 ASP 53 7.370 12.657 26.476 1.00 0.00 ATOM 384 OD2 ASP 53 8.014 10.656 26.201 1.00 0.00 ATOM 385 O ASP 53 11.206 14.521 28.574 1.00 0.00 ATOM 386 C ASP 53 11.211 14.073 27.418 1.00 0.00 ATOM 387 N LYS 54 12.323 13.889 26.699 1.00 0.00 ATOM 388 CA LYS 54 13.662 14.257 27.220 1.00 0.00 ATOM 389 CB LYS 54 14.752 13.855 26.225 1.00 0.00 ATOM 390 CG LYS 54 14.969 12.352 26.102 1.00 0.00 ATOM 391 CD LYS 54 16.066 12.033 25.097 1.00 0.00 ATOM 392 CE LYS 54 16.265 10.531 24.955 1.00 0.00 ATOM 393 NZ LYS 54 17.313 10.201 23.951 1.00 0.00 ATOM 394 O LYS 54 14.064 16.148 28.633 1.00 0.00 ATOM 395 C LYS 54 13.735 15.756 27.513 1.00 0.00 ATOM 396 N LEU 55 13.196 16.524 26.583 1.00 0.00 ATOM 397 CA LEU 55 13.120 17.991 26.704 1.00 0.00 ATOM 398 CB LEU 55 12.562 18.573 25.410 1.00 0.00 ATOM 399 CG LEU 55 13.322 19.782 24.835 1.00 0.00 ATOM 400 CD1 LEU 55 13.663 20.884 25.849 1.00 0.00 ATOM 401 CD2 LEU 55 14.536 19.281 24.071 1.00 0.00 ATOM 402 O LEU 55 12.565 19.304 28.650 1.00 0.00 ATOM 403 C LEU 55 12.211 18.424 27.868 1.00 0.00 ATOM 404 N VAL 56 11.090 17.734 28.025 1.00 0.00 ATOM 405 CA VAL 56 10.132 18.021 29.122 1.00 0.00 ATOM 406 CB VAL 56 8.802 17.271 28.949 1.00 0.00 ATOM 407 CG1 VAL 56 7.877 17.527 30.147 1.00 0.00 ATOM 408 CG2 VAL 56 8.077 17.760 27.691 1.00 0.00 ATOM 409 O VAL 56 10.678 18.583 31.385 1.00 0.00 ATOM 410 C VAL 56 10.770 17.743 30.495 1.00 0.00 ATOM 411 N LYS 57 11.389 16.574 30.619 1.00 0.00 ATOM 412 CA LYS 57 12.090 16.203 31.866 1.00 0.00 ATOM 413 CB LYS 57 12.697 14.805 31.744 1.00 0.00 ATOM 414 CG LYS 57 11.676 13.676 31.721 1.00 0.00 ATOM 415 CD LYS 57 12.354 12.318 31.603 1.00 0.00 ATOM 416 CE LYS 57 11.333 11.190 31.563 1.00 0.00 ATOM 417 NZ LYS 57 11.980 9.859 31.408 1.00 0.00 ATOM 418 O LYS 57 13.150 17.885 33.243 1.00 0.00 ATOM 419 C LYS 57 13.193 17.226 32.224 1.00 0.00 ATOM 420 N GLU 58 13.957 17.592 31.207 1.00 0.00 ATOM 421 CA GLU 58 15.034 18.592 31.408 1.00 0.00 ATOM 422 CB GLU 58 15.876 18.734 30.138 1.00 0.00 ATOM 423 CG GLU 58 16.775 17.541 29.843 1.00 0.00 ATOM 424 CD GLU 58 17.741 17.293 30.967 1.00 0.00 ATOM 425 OE1 GLU 58 18.427 18.211 31.349 1.00 0.00 ATOM 426 OE2 GLU 58 17.716 16.219 31.519 1.00 0.00 ATOM 427 O GLU 58 14.949 20.596 32.770 1.00 0.00 ATOM 428 C GLU 58 14.497 19.973 31.816 1.00 0.00 ATOM 429 N LEU 59 13.443 20.396 31.126 1.00 0.00 ATOM 430 CA LEU 59 12.811 21.698 31.409 1.00 0.00 ATOM 431 CB LEU 59 11.766 22.026 30.335 1.00 0.00 ATOM 432 CG LEU 59 12.333 22.327 28.942 1.00 0.00 ATOM 433 CD1 LEU 59 11.202 22.661 27.980 1.00 0.00 ATOM 434 CD2 LEU 59 13.321 23.481 29.035 1.00 0.00 ATOM 435 O LEU 59 12.135 22.835 33.424 1.00 0.00 ATOM 436 C LEU 59 12.153 21.774 32.782 1.00 0.00 ATOM 437 N ASN 60 11.541 20.679 33.201 1.00 0.00 ATOM 438 CA ASN 60 10.909 20.634 34.530 1.00 0.00 ATOM 439 CB ASN 60 10.125 19.349 34.729 1.00 0.00 ATOM 440 CG ASN 60 8.844 19.295 33.943 1.00 0.00 ATOM 441 ND2 ASN 60 8.311 18.107 33.816 1.00 0.00 ATOM 442 OD1 ASN 60 8.306 20.325 33.521 1.00 0.00 ATOM 443 O ASN 60 11.572 21.545 36.600 1.00 0.00 ATOM 444 C ASN 60 11.874 20.790 35.679 1.00 0.00 ATOM 445 N GLU 61 13.089 20.282 35.493 1.00 0.00 ATOM 446 CA GLU 61 14.142 20.447 36.497 1.00 0.00 ATOM 447 CB GLU 61 15.373 19.618 36.123 1.00 0.00 ATOM 448 CG GLU 61 15.182 18.114 36.253 1.00 0.00 ATOM 449 CD GLU 61 16.390 17.366 35.763 1.00 0.00 ATOM 450 OE1 GLU 61 17.299 17.995 35.280 1.00 0.00 ATOM 451 OE2 GLU 61 16.453 16.177 35.972 1.00 0.00 ATOM 452 O GLU 61 14.638 22.434 37.791 1.00 0.00 ATOM 453 C GLU 61 14.543 21.913 36.674 1.00 0.00 ATOM 454 N TYR 62 14.541 22.638 35.557 1.00 0.00 ATOM 455 CA TYR 62 14.825 24.088 35.555 1.00 0.00 ATOM 456 CB TYR 62 14.797 24.638 34.127 1.00 0.00 ATOM 457 CG TYR 62 15.039 26.128 34.039 1.00 0.00 ATOM 458 CD1 TYR 62 16.325 26.645 34.098 1.00 0.00 ATOM 459 CD2 TYR 62 13.981 27.013 33.895 1.00 0.00 ATOM 460 CE1 TYR 62 16.553 28.006 34.018 1.00 0.00 ATOM 461 CE2 TYR 62 14.197 28.376 33.814 1.00 0.00 ATOM 462 CZ TYR 62 15.485 28.868 33.876 1.00 0.00 ATOM 463 OH TYR 62 15.704 30.224 33.794 1.00 0.00 ATOM 464 O TYR 62 14.180 25.523 37.394 1.00 0.00 ATOM 465 C TYR 62 13.825 24.846 36.429 1.00 0.00 ATOM 466 N PHE 63 12.548 24.590 36.115 1.00 0.00 ATOM 467 CA PHE 63 11.457 25.228 36.855 1.00 0.00 ATOM 468 CB PHE 63 10.164 25.141 36.055 1.00 0.00 ATOM 469 CG PHE 63 10.218 26.123 34.874 1.00 0.00 ATOM 470 CD1 PHE 63 10.381 27.485 35.099 1.00 0.00 ATOM 471 CD2 PHE 63 10.119 25.640 33.584 1.00 0.00 ATOM 472 CE1 PHE 63 10.453 28.355 34.029 1.00 0.00 ATOM 473 CE2 PHE 63 10.167 26.541 32.529 1.00 0.00 ATOM 474 CZ PHE 63 10.341 27.896 32.727 1.00 0.00 ATOM 475 O PHE 63 11.025 25.508 39.203 1.00 0.00 ATOM 476 C PHE 63 11.316 24.723 38.291 1.00 0.00 ATOM 477 N GLU 64 11.712 23.479 38.527 1.00 0.00 ATOM 478 CA GLU 64 11.657 22.834 39.852 1.00 0.00 ATOM 479 CB GLU 64 12.036 21.356 39.744 1.00 0.00 ATOM 480 CG GLU 64 11.928 20.583 41.051 1.00 0.00 ATOM 481 CD GLU 64 12.230 19.123 40.849 1.00 0.00 ATOM 482 OE1 GLU 64 12.488 18.739 39.734 1.00 0.00 ATOM 483 OE2 GLU 64 12.312 18.413 41.823 1.00 0.00 ATOM 484 O GLU 64 12.271 23.480 42.099 1.00 0.00 ATOM 485 C GLU 64 12.567 23.504 40.910 1.00 0.00 ATOM 486 N LYS 65 13.683 24.047 40.447 1.00 0.00 ATOM 487 CA LYS 65 14.624 24.714 41.354 1.00 0.00 ATOM 488 CB LYS 65 16.067 24.446 40.921 1.00 0.00 ATOM 489 CG LYS 65 16.485 22.984 40.997 1.00 0.00 ATOM 490 CD LYS 65 17.940 22.804 40.594 1.00 0.00 ATOM 491 CE LYS 65 18.346 21.337 40.625 1.00 0.00 ATOM 492 NZ LYS 65 19.776 21.147 40.256 1.00 0.00 ATOM 493 O LYS 65 15.129 26.929 42.155 1.00 0.00 ATOM 494 C LYS 65 14.404 26.228 41.447 1.00 0.00 ATOM 495 N LYS 66 13.352 26.698 40.777 1.00 0.00 ATOM 496 CA LYS 66 12.756 28.045 40.939 1.00 0.00 ATOM 497 CB LYS 66 12.621 28.395 42.422 1.00 0.00 ATOM 498 CG LYS 66 11.663 27.500 43.196 1.00 0.00 ATOM 499 CD LYS 66 11.572 27.917 44.656 1.00 0.00 ATOM 500 CE LYS 66 10.635 27.006 45.435 1.00 0.00 ATOM 501 NZ LYS 66 10.490 27.439 46.853 1.00 0.00 ATOM 502 O LYS 66 13.046 30.364 40.405 1.00 0.00 ATOM 503 C LYS 66 13.489 29.211 40.269 1.00 0.00 ATOM 504 N GLU 67 14.553 28.924 39.534 1.00 0.00 ATOM 505 CA GLU 67 15.364 29.974 38.878 1.00 0.00 ATOM 506 CB GLU 67 16.849 29.605 38.914 1.00 0.00 ATOM 507 CG GLU 67 17.768 30.630 38.265 1.00 0.00 ATOM 508 CD GLU 67 19.204 30.188 38.320 1.00 0.00 ATOM 509 OE1 GLU 67 19.461 29.130 38.842 1.00 0.00 ATOM 510 OE2 GLU 67 20.032 30.853 37.741 1.00 0.00 ATOM 511 O GLU 67 14.615 29.221 36.729 1.00 0.00 ATOM 512 C GLU 67 14.908 30.194 37.432 1.00 0.00 ATOM 513 N VAL 68 14.580 31.446 37.143 1.00 0.00 ATOM 514 CA VAL 68 14.163 31.873 35.780 1.00 0.00 ATOM 515 CB VAL 68 12.788 32.567 35.801 1.00 0.00 ATOM 516 CG1 VAL 68 12.405 33.036 34.405 1.00 0.00 ATOM 517 CG2 VAL 68 11.726 31.629 36.356 1.00 0.00 ATOM 518 O VAL 68 16.223 33.005 35.863 1.00 0.00 ATOM 519 C VAL 68 15.216 32.826 35.174 1.00 0.00 TER END