PFRMAT TS TARGET T0466 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 For T0466, SAM was unable to find a strongly-predicted template. METHOD The strongest hit (2pwwA) had an E-value over 33. METHOD METHOD I ended up with 3 anti-parallel barrel models and 2 beta sandwiches. METHOD I've put the SAM+undertaker models first, because I personally like METHOD barrels better than sandwiches. Model 1 also has the best Rosetta METHOD energy of any of the models for which rosetta repacked sidechains, METHOD though this is largely a function of how well clashes are removed, METHOD since the second-best rosetta energy came from a model that was very METHOD loose foam. METHOD METHOD Model METHOD 1 T0466.try11-opt3.gromacs0.repack-nonPC.pdb # < try5-opt3 < align(1nvmA) METHOD # best Rosetta energy METHOD METHOD 2 T0466.try10-opt3.pdb # < try6-opt3 < try4-opt3 < try2-opt3 < align(2vbuA) METHOD METHOD 3 T0466.try8-opt3.pdb # < fais-server_TS3 METHOD METHOD 4 T0466.try7-opt3.pdb # < MULTICOM-CLUSTER_TS3 METHOD METHOD 5 T0466.MQAU1-opt3.pdb # < GS-KudlatyPred_TS3 METHOD METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0466 model 4 Mon Jul 21 13:26:50 2008 MODEL 4 PARENT N/A ATOM 1 N MET 1 17.552 15.272 11.264 1.00 0.00 ATOM 2 CA MET 1 18.646 16.259 11.496 1.00 0.00 ATOM 3 CB MET 1 18.382 17.542 10.699 1.00 0.00 ATOM 4 CG MET 1 19.589 18.481 10.548 1.00 0.00 ATOM 5 SD MET 1 20.221 19.229 12.075 1.00 0.00 ATOM 6 CE MET 1 19.164 20.673 12.221 1.00 0.00 ATOM 7 O MET 1 17.819 17.150 13.569 1.00 0.00 ATOM 8 C MET 1 18.746 16.594 12.979 1.00 0.00 ATOM 9 N MET 2 19.852 16.258 13.609 1.00 0.00 ATOM 10 CA MET 2 20.155 16.504 14.985 1.00 0.00 ATOM 11 CB MET 2 20.691 15.231 15.687 1.00 0.00 ATOM 12 CG MET 2 19.701 14.044 15.501 1.00 0.00 ATOM 13 SD MET 2 20.304 12.594 16.418 1.00 0.00 ATOM 14 CE MET 2 19.963 13.098 17.995 1.00 0.00 ATOM 15 O MET 2 22.057 17.718 14.173 1.00 0.00 ATOM 16 C MET 2 21.179 17.631 15.033 1.00 0.00 ATOM 17 N ARG 3 21.068 18.493 16.040 1.00 0.00 ATOM 18 CA ARG 3 21.976 19.573 16.172 1.00 0.00 ATOM 19 CB ARG 3 21.235 20.863 16.458 1.00 0.00 ATOM 20 CG ARG 3 20.318 21.274 15.273 1.00 0.00 ATOM 21 CD ARG 3 19.848 22.677 15.336 1.00 0.00 ATOM 22 NE ARG 3 18.878 22.869 16.387 1.00 0.00 ATOM 23 CZ ARG 3 18.230 23.985 16.630 1.00 0.00 ATOM 24 NH1 ARG 3 18.381 25.040 15.847 1.00 0.00 ATOM 25 NH2 ARG 3 17.381 24.043 17.616 1.00 0.00 ATOM 26 O ARG 3 22.302 18.725 18.375 1.00 0.00 ATOM 27 C ARG 3 22.777 19.346 17.423 1.00 0.00 ATOM 28 N LEU 4 24.007 19.848 17.433 1.00 0.00 ATOM 29 CA LEU 4 24.878 19.693 18.593 1.00 0.00 ATOM 30 CB LEU 4 25.974 18.642 18.320 1.00 0.00 ATOM 31 CG LEU 4 25.555 17.218 17.918 1.00 0.00 ATOM 32 CD1 LEU 4 26.794 16.384 17.610 1.00 0.00 ATOM 33 CD2 LEU 4 24.746 16.545 18.980 1.00 0.00 ATOM 34 O LEU 4 25.905 21.790 18.042 1.00 0.00 ATOM 35 C LEU 4 25.438 21.071 18.927 1.00 0.00 ATOM 36 N ALA 5 25.391 21.438 20.204 1.00 0.00 ATOM 37 CA ALA 5 25.893 22.708 20.620 1.00 0.00 ATOM 38 CB ALA 5 24.861 23.644 21.275 1.00 0.00 ATOM 39 O ALA 5 26.895 21.446 22.352 1.00 0.00 ATOM 40 C ALA 5 26.930 22.453 21.643 1.00 0.00 ATOM 41 N ASN 6 27.900 23.374 21.752 1.00 0.00 ATOM 42 CA ASN 6 28.938 23.232 22.697 1.00 0.00 ATOM 43 CB ASN 6 30.294 22.771 22.135 1.00 0.00 ATOM 44 CG ASN 6 31.206 22.515 23.329 1.00 0.00 ATOM 45 ND2 ASN 6 30.611 22.070 24.467 1.00 0.00 ATOM 46 OD1 ASN 6 32.418 22.707 23.251 1.00 0.00 ATOM 47 O ASN 6 30.304 25.078 23.284 1.00 0.00 ATOM 48 C ASN 6 29.216 24.513 23.396 1.00 0.00 ATOM 49 N GLY 7 28.225 24.998 24.138 1.00 0.00 ATOM 50 CA GLY 7 28.374 26.247 24.875 1.00 0.00 ATOM 51 O GLY 7 29.850 25.176 26.389 1.00 0.00 ATOM 52 C GLY 7 29.615 26.166 25.700 1.00 0.00 ATOM 53 N ILE 8 30.479 27.197 25.608 1.00 0.00 ATOM 54 CA ILE 8 31.688 27.169 26.378 1.00 0.00 ATOM 55 CB ILE 8 32.799 26.392 25.726 1.00 0.00 ATOM 56 CG1 ILE 8 33.913 26.079 26.743 1.00 0.00 ATOM 57 CG2 ILE 8 33.282 27.181 24.499 1.00 0.00 ATOM 58 CD1 ILE 8 34.883 24.995 26.272 1.00 0.00 ATOM 59 O ILE 8 31.678 29.538 25.999 1.00 0.00 ATOM 60 C ILE 8 32.176 28.594 26.614 1.00 0.00 ATOM 61 N VAL 9 33.150 28.749 27.505 1.00 0.00 ATOM 62 CA VAL 9 33.683 30.050 27.799 1.00 0.00 ATOM 63 CB VAL 9 33.318 30.561 29.163 1.00 0.00 ATOM 64 CG1 VAL 9 34.032 31.903 29.397 1.00 0.00 ATOM 65 CG2 VAL 9 31.786 30.639 29.269 1.00 0.00 ATOM 66 O VAL 9 35.912 29.326 28.308 1.00 0.00 ATOM 67 C VAL 9 35.200 30.102 27.669 1.00 0.00 ATOM 68 N LEU 10 35.694 31.018 26.841 1.00 0.00 ATOM 69 CA LEU 10 37.131 31.159 26.641 1.00 0.00 ATOM 70 CB LEU 10 37.259 31.230 25.091 1.00 0.00 ATOM 71 CG LEU 10 38.686 31.329 24.538 1.00 0.00 ATOM 72 CD1 LEU 10 39.472 30.096 24.928 1.00 0.00 ATOM 73 CD2 LEU 10 38.639 31.479 23.017 1.00 0.00 ATOM 74 O LEU 10 38.951 32.553 27.341 1.00 0.00 ATOM 75 C LEU 10 37.763 32.246 27.518 1.00 0.00 ATOM 76 N ASP 11 36.966 32.841 28.394 1.00 0.00 ATOM 77 CA ASP 11 37.444 33.961 29.212 1.00 0.00 ATOM 78 CB ASP 11 36.373 34.555 30.137 1.00 0.00 ATOM 79 CG ASP 11 35.308 35.190 29.251 1.00 0.00 ATOM 80 OD1 ASP 11 35.533 35.266 28.013 1.00 0.00 ATOM 81 OD2 ASP 11 34.255 35.607 29.801 1.00 0.00 ATOM 82 O ASP 11 39.553 34.452 30.241 1.00 0.00 ATOM 83 C ASP 11 38.659 33.623 30.068 1.00 0.00 ATOM 84 N LYS 12 38.650 32.439 30.673 1.00 0.00 ATOM 85 CA LYS 12 39.761 32.010 31.513 1.00 0.00 ATOM 86 CB LYS 12 39.328 30.754 32.281 1.00 0.00 ATOM 87 CG LYS 12 40.425 30.088 33.090 1.00 0.00 ATOM 88 CD LYS 12 40.969 30.998 34.166 1.00 0.00 ATOM 89 CE LYS 12 41.736 30.196 35.206 1.00 0.00 ATOM 90 NZ LYS 12 40.825 29.301 35.972 1.00 0.00 ATOM 91 O LYS 12 42.118 31.960 31.281 1.00 0.00 ATOM 92 C LYS 12 41.026 31.962 30.717 1.00 0.00 ATOM 93 N ASP 13 40.917 31.891 29.381 1.00 0.00 ATOM 94 CA ASP 13 42.097 31.847 28.573 1.00 0.00 ATOM 95 CB ASP 13 42.855 33.117 28.594 1.00 0.00 ATOM 96 CG ASP 13 42.231 34.083 27.589 1.00 0.00 ATOM 97 OD1 ASP 13 41.517 33.625 26.661 1.00 0.00 ATOM 98 OD2 ASP 13 42.402 35.313 27.686 1.00 0.00 ATOM 99 O ASP 13 44.119 30.745 29.150 1.00 0.00 ATOM 100 C ASP 13 42.908 30.656 28.961 1.00 0.00 ATOM 101 N THR 14 42.237 29.496 29.096 1.00 0.00 ATOM 102 CA THR 14 42.919 28.286 29.443 1.00 0.00 ATOM 103 CB THR 14 41.956 27.166 29.805 1.00 0.00 ATOM 104 CG2 THR 14 41.119 27.560 31.011 1.00 0.00 ATOM 105 OG1 THR 14 41.098 26.901 28.691 1.00 0.00 ATOM 106 O THR 14 43.356 28.331 27.108 1.00 0.00 ATOM 107 C THR 14 43.536 27.754 28.179 1.00 0.00 ATOM 108 N THR 15 44.304 26.647 28.276 1.00 0.00 ATOM 109 CA THR 15 44.983 26.099 27.138 1.00 0.00 ATOM 110 CB THR 15 46.012 25.062 27.556 1.00 0.00 ATOM 111 CG2 THR 15 46.995 25.628 28.636 1.00 0.00 ATOM 112 OG1 THR 15 45.356 23.916 28.110 1.00 0.00 ATOM 113 O THR 15 42.842 25.169 26.586 1.00 0.00 ATOM 114 C THR 15 43.970 25.467 26.190 1.00 0.00 ATOM 115 N PHE 16 44.345 25.336 24.922 1.00 0.00 ATOM 116 CA PHE 16 43.470 24.755 23.957 1.00 0.00 ATOM 117 CB PHE 16 43.910 24.986 22.555 1.00 0.00 ATOM 118 CG PHE 16 43.513 26.391 22.138 1.00 0.00 ATOM 119 CD1 PHE 16 42.201 26.664 21.789 1.00 0.00 ATOM 120 CD2 PHE 16 44.439 27.416 22.145 1.00 0.00 ATOM 121 CE1 PHE 16 41.822 27.950 21.437 1.00 0.00 ATOM 122 CE2 PHE 16 44.065 28.705 21.802 1.00 0.00 ATOM 123 CZ PHE 16 42.758 28.970 21.443 1.00 0.00 ATOM 124 O PHE 16 41.950 22.960 24.251 1.00 0.00 ATOM 125 C PHE 16 43.113 23.360 24.319 1.00 0.00 ATOM 126 N GLY 17 44.118 22.586 24.717 1.00 0.00 ATOM 127 CA GLY 17 43.897 21.198 25.103 1.00 0.00 ATOM 128 O GLY 17 42.038 20.268 26.261 1.00 0.00 ATOM 129 C GLY 17 42.922 21.124 26.239 1.00 0.00 ATOM 130 N GLU 18 43.075 22.029 27.201 1.00 0.00 ATOM 131 CA GLU 18 42.185 22.060 28.357 1.00 0.00 ATOM 132 CB GLU 18 42.596 23.146 29.346 1.00 0.00 ATOM 133 CG GLU 18 43.963 22.911 29.955 1.00 0.00 ATOM 134 CD GLU 18 44.247 23.826 31.136 1.00 0.00 ATOM 135 OE1 GLU 18 43.676 23.586 32.226 1.00 0.00 ATOM 136 OE2 GLU 18 45.033 24.788 30.967 1.00 0.00 ATOM 137 O GLU 18 39.850 21.639 28.312 1.00 0.00 ATOM 138 C GLU 18 40.785 22.314 27.887 1.00 0.00 ATOM 139 N LEU 19 40.627 23.256 26.940 1.00 0.00 ATOM 140 CA LEU 19 39.343 23.569 26.380 1.00 0.00 ATOM 141 CB LEU 19 39.564 24.845 25.533 1.00 0.00 ATOM 142 CG LEU 19 38.284 25.607 25.291 1.00 0.00 ATOM 143 CD1 LEU 19 37.701 26.208 26.599 1.00 0.00 ATOM 144 CD2 LEU 19 38.524 26.684 24.285 1.00 0.00 ATOM 145 O LEU 19 37.599 22.087 25.637 1.00 0.00 ATOM 146 C LEU 19 38.798 22.364 25.622 1.00 0.00 ATOM 147 N LYS 20 39.706 21.653 24.960 1.00 0.00 ATOM 148 CA LYS 20 39.366 20.480 24.166 1.00 0.00 ATOM 149 CB LYS 20 40.513 19.827 23.373 1.00 0.00 ATOM 150 CG LYS 20 40.792 20.580 22.076 1.00 0.00 ATOM 151 CD LYS 20 39.535 20.656 21.206 1.00 0.00 ATOM 152 CE LYS 20 39.634 21.632 20.037 1.00 0.00 ATOM 153 NZ LYS 20 38.305 21.808 19.410 1.00 0.00 ATOM 154 O LYS 20 37.715 18.800 24.621 1.00 0.00 ATOM 155 C LYS 20 38.699 19.416 25.031 1.00 0.00 ATOM 156 N PHE 21 39.235 19.203 26.229 1.00 0.00 ATOM 157 CA PHE 21 38.681 18.226 27.122 1.00 0.00 ATOM 158 CB PHE 21 39.361 18.052 28.382 1.00 0.00 ATOM 159 CG PHE 21 40.642 17.307 28.190 1.00 0.00 ATOM 160 CD1 PHE 21 40.617 15.954 27.837 1.00 0.00 ATOM 161 CD2 PHE 21 41.851 17.954 28.355 1.00 0.00 ATOM 162 CE1 PHE 21 41.825 15.266 27.645 1.00 0.00 ATOM 163 CE2 PHE 21 43.056 17.278 28.163 1.00 0.00 ATOM 164 CZ PHE 21 43.012 15.918 27.820 1.00 0.00 ATOM 165 O PHE 21 36.359 17.807 27.553 1.00 0.00 ATOM 166 C PHE 21 37.266 18.638 27.513 1.00 0.00 ATOM 167 N SER 22 37.080 19.923 27.798 1.00 0.00 ATOM 168 CA SER 22 35.786 20.416 28.174 1.00 0.00 ATOM 169 CB SER 22 35.810 21.926 28.480 1.00 0.00 ATOM 170 OG SER 22 36.669 22.197 29.577 1.00 0.00 ATOM 171 O SER 22 33.667 19.739 27.321 1.00 0.00 ATOM 172 C SER 22 34.781 20.205 27.078 1.00 0.00 ATOM 173 N ALA 23 35.168 20.548 25.853 1.00 0.00 ATOM 174 CA ALA 23 34.280 20.388 24.707 1.00 0.00 ATOM 175 CB ALA 23 34.922 20.849 23.387 1.00 0.00 ATOM 176 O ALA 23 32.730 18.613 24.258 1.00 0.00 ATOM 177 C ALA 23 33.884 18.923 24.550 1.00 0.00 ATOM 178 N LEU 24 34.844 18.025 24.746 1.00 0.00 ATOM 179 CA LEU 24 34.578 16.604 24.624 1.00 0.00 ATOM 180 CB LEU 24 35.916 15.857 24.533 1.00 0.00 ATOM 181 CG LEU 24 36.685 16.241 23.255 1.00 0.00 ATOM 182 CD1 LEU 24 37.884 15.310 23.002 1.00 0.00 ATOM 183 CD2 LEU 24 35.730 16.342 22.057 1.00 0.00 ATOM 184 O LEU 24 33.539 14.835 25.875 1.00 0.00 ATOM 185 C LEU 24 33.805 16.036 25.815 1.00 0.00 ATOM 186 N ARG 25 33.446 16.901 26.759 1.00 0.00 ATOM 187 CA ARG 25 32.703 16.470 27.937 1.00 0.00 ATOM 188 CB ARG 25 31.421 15.750 27.497 1.00 0.00 ATOM 189 CG ARG 25 30.451 16.630 26.682 1.00 0.00 ATOM 190 CD ARG 25 29.229 15.831 26.232 1.00 0.00 ATOM 191 NE ARG 25 28.161 16.631 25.623 1.00 0.00 ATOM 192 CZ ARG 25 28.170 17.098 24.375 1.00 0.00 ATOM 193 NH1 ARG 25 29.202 16.865 23.573 1.00 0.00 ATOM 194 NH2 ARG 25 27.118 17.764 23.909 1.00 0.00 ATOM 195 O ARG 25 33.067 14.512 29.232 1.00 0.00 ATOM 196 C ARG 25 33.514 15.573 28.800 1.00 0.00 ATOM 197 N ARG 26 34.762 16.013 29.055 1.00 0.00 ATOM 198 CA ARG 26 35.635 15.334 29.959 1.00 0.00 ATOM 199 CB ARG 26 36.940 14.923 29.328 1.00 0.00 ATOM 200 CG ARG 26 37.937 14.426 30.372 1.00 0.00 ATOM 201 CD ARG 26 39.136 13.697 29.802 1.00 0.00 ATOM 202 NE ARG 26 38.785 12.360 29.349 1.00 0.00 ATOM 203 CZ ARG 26 38.696 11.941 28.111 1.00 0.00 ATOM 204 NH1 ARG 26 38.943 12.740 27.101 1.00 0.00 ATOM 205 NH2 ARG 26 38.377 10.679 27.877 1.00 0.00 ATOM 206 O ARG 26 36.162 17.573 30.633 1.00 0.00 ATOM 207 C ARG 26 36.061 16.394 30.962 1.00 0.00 ATOM 208 N GLU 27 36.291 15.977 32.198 1.00 0.00 ATOM 209 CA GLU 27 36.699 16.926 33.220 1.00 0.00 ATOM 210 CB GLU 27 36.648 16.449 34.685 1.00 0.00 ATOM 211 CG GLU 27 37.177 15.040 34.938 1.00 0.00 ATOM 212 CD GLU 27 35.953 14.146 35.086 1.00 0.00 ATOM 213 OE1 GLU 27 35.017 14.270 34.252 1.00 0.00 ATOM 214 OE2 GLU 27 35.935 13.329 36.047 1.00 0.00 ATOM 215 O GLU 27 38.917 16.712 32.401 1.00 0.00 ATOM 216 C GLU 27 38.057 17.445 32.887 1.00 0.00 ATOM 217 N VAL 28 38.262 18.758 33.121 1.00 0.00 ATOM 218 CA VAL 28 39.504 19.395 32.785 1.00 0.00 ATOM 219 CB VAL 28 39.326 20.647 31.869 1.00 0.00 ATOM 220 CG1 VAL 28 40.681 21.263 31.524 1.00 0.00 ATOM 221 CG2 VAL 28 38.585 20.247 30.578 1.00 0.00 ATOM 222 O VAL 28 39.604 20.755 34.744 1.00 0.00 ATOM 223 C VAL 28 40.156 19.919 34.031 1.00 0.00 ATOM 224 N ARG 29 41.384 19.446 34.315 1.00 0.00 ATOM 225 CA ARG 29 42.108 19.971 35.439 1.00 0.00 ATOM 226 CB ARG 29 43.035 18.940 36.117 1.00 0.00 ATOM 227 CG ARG 29 44.086 18.305 35.202 1.00 0.00 ATOM 228 CD ARG 29 44.864 17.168 35.874 1.00 0.00 ATOM 229 NE ARG 29 45.837 16.632 34.882 1.00 0.00 ATOM 230 CZ ARG 29 46.977 16.017 35.320 1.00 0.00 ATOM 231 NH1 ARG 29 47.218 15.922 36.660 1.00 0.00 ATOM 232 NH2 ARG 29 47.868 15.497 34.430 1.00 0.00 ATOM 233 O ARG 29 43.356 21.122 33.781 1.00 0.00 ATOM 234 C ARG 29 42.928 21.115 34.934 1.00 0.00 ATOM 235 N ILE 30 43.126 22.152 35.775 1.00 0.00 ATOM 236 CA ILE 30 43.966 23.235 35.359 1.00 0.00 ATOM 237 CB ILE 30 43.287 24.614 35.563 1.00 0.00 ATOM 238 CG1 ILE 30 42.047 24.730 34.673 1.00 0.00 ATOM 239 CG2 ILE 30 44.272 25.742 35.254 1.00 0.00 ATOM 240 CD1 ILE 30 41.209 25.962 34.965 1.00 0.00 ATOM 241 O ILE 30 45.174 23.479 37.401 1.00 0.00 ATOM 242 C ILE 30 45.205 23.215 36.200 1.00 0.00 ATOM 243 N GLN 31 46.368 23.029 35.547 1.00 0.00 ATOM 244 CA GLN 31 47.597 22.901 36.276 1.00 0.00 ATOM 245 CB GLN 31 48.469 21.774 35.703 1.00 0.00 ATOM 246 CG GLN 31 48.956 22.074 34.287 1.00 0.00 ATOM 247 CD GLN 31 49.710 20.857 33.779 1.00 0.00 ATOM 248 OE1 GLN 31 49.380 19.726 34.131 1.00 0.00 ATOM 249 NE2 GLN 31 50.746 21.092 32.929 1.00 0.00 ATOM 250 O GLN 31 48.350 24.932 35.245 1.00 0.00 ATOM 251 C GLN 31 48.417 24.186 36.222 1.00 0.00 ATOM 252 N ASN 32 49.190 24.441 37.273 1.00 0.00 ATOM 253 CA ASN 32 49.988 25.606 37.314 1.00 0.00 ATOM 254 CB ASN 32 50.149 26.101 38.764 1.00 0.00 ATOM 255 CG ASN 32 50.222 27.622 38.762 1.00 0.00 ATOM 256 ND2 ASN 32 50.084 28.227 39.972 1.00 0.00 ATOM 257 OD1 ASN 32 50.369 28.255 37.719 1.00 0.00 ATOM 258 O ASN 32 51.511 24.166 36.189 1.00 0.00 ATOM 259 C ASN 32 51.331 25.252 36.739 1.00 0.00 ATOM 260 N GLU 33 52.306 26.183 36.797 1.00 0.00 ATOM 261 CA GLU 33 53.603 25.909 36.234 1.00 0.00 ATOM 262 CB GLU 33 54.611 27.066 36.352 1.00 0.00 ATOM 263 CG GLU 33 54.964 27.440 37.789 1.00 0.00 ATOM 264 CD GLU 33 53.802 28.243 38.348 1.00 0.00 ATOM 265 OE1 GLU 33 52.916 28.633 37.544 1.00 0.00 ATOM 266 OE2 GLU 33 53.785 28.478 39.585 1.00 0.00 ATOM 267 O GLU 33 54.870 23.877 36.361 1.00 0.00 ATOM 268 C GLU 33 54.173 24.694 36.959 1.00 0.00 ATOM 269 N ASP 34 53.835 24.614 38.236 1.00 0.00 ATOM 270 CA ASP 34 54.323 23.496 39.031 1.00 0.00 ATOM 271 CB ASP 34 53.919 23.622 40.508 1.00 0.00 ATOM 272 CG ASP 34 54.699 24.793 41.093 1.00 0.00 ATOM 273 OD1 ASP 34 55.522 25.387 40.345 1.00 0.00 ATOM 274 OD2 ASP 34 54.481 25.112 42.292 1.00 0.00 ATOM 275 O ASP 34 54.278 21.109 38.786 1.00 0.00 ATOM 276 C ASP 34 53.723 22.182 38.544 1.00 0.00 ATOM 277 N GLY 35 52.606 22.296 37.857 1.00 0.00 ATOM 278 CA GLY 35 51.923 21.121 37.343 1.00 0.00 ATOM 279 O GLY 35 50.022 19.780 37.769 1.00 0.00 ATOM 280 C GLY 35 50.813 20.627 38.185 1.00 0.00 ATOM 281 N SER 36 50.714 21.176 39.392 1.00 0.00 ATOM 282 CA SER 36 49.659 20.777 40.318 1.00 0.00 ATOM 283 CB SER 36 49.864 21.140 41.801 1.00 0.00 ATOM 284 OG SER 36 49.786 22.546 41.981 1.00 0.00 ATOM 285 O SER 36 48.407 22.358 39.066 1.00 0.00 ATOM 286 C SER 36 48.386 21.396 39.832 1.00 0.00 ATOM 287 N VAL 37 47.228 20.848 40.253 1.00 0.00 ATOM 288 CA VAL 37 45.999 21.378 39.734 1.00 0.00 ATOM 289 CB VAL 37 44.963 20.289 39.475 1.00 0.00 ATOM 290 CG1 VAL 37 43.656 20.914 38.976 1.00 0.00 ATOM 291 CG2 VAL 37 45.433 19.160 38.573 1.00 0.00 ATOM 292 O VAL 37 45.118 22.116 41.813 1.00 0.00 ATOM 293 C VAL 37 45.459 22.408 40.668 1.00 0.00 ATOM 294 N SER 38 45.374 23.656 40.165 1.00 0.00 ATOM 295 CA SER 38 44.838 24.787 40.861 1.00 0.00 ATOM 296 CB SER 38 45.309 26.124 40.263 1.00 0.00 ATOM 297 OG SER 38 46.717 26.245 40.387 1.00 0.00 ATOM 298 O SER 38 42.674 25.127 41.777 1.00 0.00 ATOM 299 C SER 38 43.340 24.813 40.792 1.00 0.00 ATOM 300 N ASP 39 42.765 24.513 39.605 1.00 0.00 ATOM 301 CA ASP 39 41.340 24.628 39.427 1.00 0.00 ATOM 302 CB ASP 39 41.032 25.814 38.539 1.00 0.00 ATOM 303 CG ASP 39 41.318 27.115 39.253 1.00 0.00 ATOM 304 OD1 ASP 39 40.519 27.528 40.168 1.00 0.00 ATOM 305 OD2 ASP 39 42.358 27.792 38.999 1.00 0.00 ATOM 306 O ASP 39 41.484 22.652 38.102 1.00 0.00 ATOM 307 C ASP 39 40.793 23.376 38.818 1.00 0.00 ATOM 308 N GLU 40 39.504 23.095 39.114 1.00 0.00 ATOM 309 CA GLU 40 38.829 21.949 38.576 1.00 0.00 ATOM 310 CB GLU 40 38.742 20.823 39.617 1.00 0.00 ATOM 311 CG GLU 40 40.109 20.264 40.023 1.00 0.00 ATOM 312 CD GLU 40 40.046 19.268 41.176 1.00 0.00 ATOM 313 OE1 GLU 40 38.938 18.995 41.683 1.00 0.00 ATOM 314 OE2 GLU 40 41.102 18.748 41.570 1.00 0.00 ATOM 315 O GLU 40 36.829 23.220 38.622 1.00 0.00 ATOM 316 C GLU 40 37.490 22.381 38.012 1.00 0.00 ATOM 317 N ILE 41 37.129 21.813 36.865 1.00 0.00 ATOM 318 CA ILE 41 35.870 22.126 36.231 1.00 0.00 ATOM 319 CB ILE 41 36.017 23.102 35.058 1.00 0.00 ATOM 320 CG1 ILE 41 36.851 22.481 33.940 1.00 0.00 ATOM 321 CG2 ILE 41 36.593 24.437 35.558 1.00 0.00 ATOM 322 CD1 ILE 41 36.773 23.254 32.644 1.00 0.00 ATOM 323 O ILE 41 35.955 19.901 35.389 1.00 0.00 ATOM 324 C ILE 41 35.249 20.850 35.725 1.00 0.00 ATOM 325 N LYS 42 33.902 20.814 35.595 1.00 0.00 ATOM 326 CA LYS 42 33.217 19.621 35.171 1.00 0.00 ATOM 327 CB LYS 42 32.299 19.068 36.272 1.00 0.00 ATOM 328 CG LYS 42 33.024 18.514 37.500 1.00 0.00 ATOM 329 CD LYS 42 33.871 17.275 37.210 1.00 0.00 ATOM 330 CE LYS 42 34.527 16.699 38.465 1.00 0.00 ATOM 331 NZ LYS 42 35.441 17.698 39.065 1.00 0.00 ATOM 332 O LYS 42 32.201 21.107 33.625 1.00 0.00 ATOM 333 C LYS 42 32.345 19.946 34.007 1.00 0.00 ATOM 334 N GLU 43 31.744 18.914 33.422 1.00 0.00 ATOM 335 CA GLU 43 30.862 19.104 32.276 1.00 0.00 ATOM 336 CB GLU 43 31.383 18.628 30.908 1.00 0.00 ATOM 337 CG GLU 43 31.338 17.108 30.732 1.00 0.00 ATOM 338 CD GLU 43 32.290 16.483 31.736 1.00 0.00 ATOM 339 OE1 GLU 43 33.408 17.037 31.909 1.00 0.00 ATOM 340 OE2 GLU 43 31.915 15.445 32.345 1.00 0.00 ATOM 341 O GLU 43 29.618 17.301 33.200 1.00 0.00 ATOM 342 C GLU 43 29.607 18.330 32.525 1.00 0.00 ATOM 343 N ARG 44 28.472 18.816 31.985 1.00 0.00 ATOM 344 CA ARG 44 27.248 18.093 32.171 1.00 0.00 ATOM 345 CB ARG 44 26.193 18.909 32.866 1.00 0.00 ATOM 346 CG ARG 44 26.504 19.140 34.357 1.00 0.00 ATOM 347 CD ARG 44 26.389 17.895 35.186 1.00 0.00 ATOM 348 NE ARG 44 26.588 18.088 36.613 1.00 0.00 ATOM 349 CZ ARG 44 27.747 18.003 37.239 1.00 0.00 ATOM 350 NH1 ARG 44 28.897 17.803 36.582 1.00 0.00 ATOM 351 NH2 ARG 44 27.811 18.164 38.548 1.00 0.00 ATOM 352 O ARG 44 27.036 18.499 29.859 1.00 0.00 ATOM 353 C ARG 44 26.624 17.885 30.835 1.00 0.00 ATOM 354 N THR 45 25.664 16.945 30.729 1.00 0.00 ATOM 355 CA THR 45 25.022 16.716 29.463 1.00 0.00 ATOM 356 CB THR 45 25.018 15.268 29.051 1.00 0.00 ATOM 357 CG2 THR 45 24.186 14.457 30.057 1.00 0.00 ATOM 358 OG1 THR 45 24.483 15.128 27.741 1.00 0.00 ATOM 359 O THR 45 22.933 16.819 30.638 1.00 0.00 ATOM 360 C THR 45 23.572 17.155 29.641 1.00 0.00 ATOM 361 N TYR 46 23.056 17.904 28.672 1.00 0.00 ATOM 362 CA TYR 46 21.722 18.357 28.746 1.00 0.00 ATOM 363 CB TYR 46 21.614 19.886 28.866 1.00 0.00 ATOM 364 CG TYR 46 20.353 20.210 29.584 1.00 0.00 ATOM 365 CD1 TYR 46 19.122 19.900 29.059 1.00 0.00 ATOM 366 CD2 TYR 46 20.417 20.770 30.840 1.00 0.00 ATOM 367 CE1 TYR 46 17.982 20.211 29.756 1.00 0.00 ATOM 368 CE2 TYR 46 19.278 21.087 31.544 1.00 0.00 ATOM 369 CZ TYR 46 18.051 20.802 30.997 1.00 0.00 ATOM 370 OH TYR 46 16.865 21.114 31.695 1.00 0.00 ATOM 371 O TYR 46 21.583 18.234 26.382 1.00 0.00 ATOM 372 C TYR 46 21.028 18.022 27.460 1.00 0.00 ATOM 373 N ASP 47 19.801 17.464 27.524 1.00 0.00 ATOM 374 CA ASP 47 19.108 17.172 26.301 1.00 0.00 ATOM 375 CB ASP 47 19.026 15.636 26.114 1.00 0.00 ATOM 376 CG ASP 47 18.484 15.209 24.768 1.00 0.00 ATOM 377 OD1 ASP 47 18.573 15.997 23.803 1.00 0.00 ATOM 378 OD2 ASP 47 17.984 14.069 24.676 1.00 0.00 ATOM 379 O ASP 47 16.816 17.540 26.860 1.00 0.00 ATOM 380 C ASP 47 17.778 17.912 26.249 1.00 0.00 ATOM 381 N LEU 48 17.704 18.923 25.424 1.00 0.00 ATOM 382 CA LEU 48 16.570 19.839 25.388 1.00 0.00 ATOM 383 CB LEU 48 17.173 21.181 25.065 1.00 0.00 ATOM 384 CG LEU 48 16.350 22.419 24.752 1.00 0.00 ATOM 385 CD1 LEU 48 15.625 22.922 25.988 1.00 0.00 ATOM 386 CD2 LEU 48 17.356 23.460 24.278 1.00 0.00 ATOM 387 O LEU 48 16.542 19.443 23.051 1.00 0.00 ATOM 388 C LEU 48 15.889 19.623 24.074 1.00 0.00 ATOM 389 N LYS 49 14.548 19.704 24.071 1.00 0.00 ATOM 390 CA LYS 49 13.775 19.598 22.869 1.00 0.00 ATOM 391 CB LYS 49 12.336 19.158 23.153 1.00 0.00 ATOM 392 CG LYS 49 11.500 18.822 21.925 1.00 0.00 ATOM 393 CD LYS 49 10.090 18.395 22.330 1.00 0.00 ATOM 394 CE LYS 49 10.079 17.431 23.520 1.00 0.00 ATOM 395 NZ LYS 49 8.784 17.515 24.234 1.00 0.00 ATOM 396 O LYS 49 13.803 21.964 22.985 1.00 0.00 ATOM 397 C LYS 49 13.697 20.971 22.270 1.00 0.00 ATOM 398 N SER 50 13.524 21.069 20.934 1.00 0.00 ATOM 399 CA SER 50 13.416 22.368 20.325 1.00 0.00 ATOM 400 CB SER 50 14.661 22.659 19.505 1.00 0.00 ATOM 401 OG SER 50 14.567 23.904 18.857 1.00 0.00 ATOM 402 O SER 50 11.974 21.407 18.708 1.00 0.00 ATOM 403 C SER 50 12.206 22.364 19.445 1.00 0.00 ATOM 404 N LYS 51 11.379 23.425 19.523 1.00 0.00 ATOM 405 CA LYS 51 10.208 23.479 18.697 1.00 0.00 ATOM 406 CB LYS 51 9.234 24.533 19.136 1.00 0.00 ATOM 407 CG LYS 51 8.429 24.059 20.355 1.00 0.00 ATOM 408 CD LYS 51 7.692 25.219 21.000 1.00 0.00 ATOM 409 CE LYS 51 6.826 24.668 22.154 1.00 0.00 ATOM 410 NZ LYS 51 5.924 25.682 22.751 1.00 0.00 ATOM 411 O LYS 51 10.003 23.087 16.371 1.00 0.00 ATOM 412 C LYS 51 10.593 23.687 17.267 1.00 0.00 ATOM 413 N GLY 52 11.585 24.563 17.010 1.00 0.00 ATOM 414 CA GLY 52 11.911 24.849 15.644 1.00 0.00 ATOM 415 O GLY 52 11.970 23.199 13.920 1.00 0.00 ATOM 416 C GLY 52 12.462 23.616 14.969 1.00 0.00 ATOM 417 N GLN 53 13.431 22.974 15.615 1.00 0.00 ATOM 418 CA GLN 53 14.037 21.768 15.061 1.00 0.00 ATOM 419 CB GLN 53 15.292 21.365 15.863 1.00 0.00 ATOM 420 CG GLN 53 15.972 20.087 15.360 1.00 0.00 ATOM 421 CD GLN 53 17.081 19.723 16.342 1.00 0.00 ATOM 422 OE1 GLN 53 16.921 19.852 17.555 1.00 0.00 ATOM 423 NE2 GLN 53 18.242 19.258 15.808 1.00 0.00 ATOM 424 O GLN 53 12.987 19.781 14.293 1.00 0.00 ATOM 425 C GLN 53 13.076 20.633 15.177 1.00 0.00 ATOM 426 N GLY 54 12.337 20.583 16.296 1.00 0.00 ATOM 427 CA GLY 54 11.430 19.499 16.497 1.00 0.00 ATOM 428 O GLY 54 11.527 17.216 17.158 1.00 0.00 ATOM 429 C GLY 54 12.138 18.283 17.071 1.00 0.00 ATOM 430 N ARG 55 13.391 18.467 17.437 1.00 0.00 ATOM 431 CA ARG 55 14.216 17.391 17.905 1.00 0.00 ATOM 432 CB ARG 55 15.169 16.793 16.855 1.00 0.00 ATOM 433 CG ARG 55 14.393 16.050 15.761 1.00 0.00 ATOM 434 CD ARG 55 15.233 15.196 14.810 1.00 0.00 ATOM 435 NE ARG 55 14.286 14.635 13.802 1.00 0.00 ATOM 436 CZ ARG 55 13.720 13.404 13.974 1.00 0.00 ATOM 437 NH1 ARG 55 14.092 12.616 15.024 1.00 0.00 ATOM 438 NH2 ARG 55 12.784 12.959 13.085 1.00 0.00 ATOM 439 O ARG 55 14.936 18.939 19.560 1.00 0.00 ATOM 440 C ARG 55 14.977 17.785 19.134 1.00 0.00 ATOM 441 N MET 56 15.658 16.802 19.764 1.00 0.00 ATOM 442 CA MET 56 16.359 17.070 20.988 1.00 0.00 ATOM 443 CB MET 56 16.025 16.070 22.113 1.00 0.00 ATOM 444 CG MET 56 16.183 14.596 21.726 1.00 0.00 ATOM 445 SD MET 56 14.820 13.932 20.719 1.00 0.00 ATOM 446 CE MET 56 13.696 13.703 22.127 1.00 0.00 ATOM 447 O MET 56 18.383 16.267 20.055 1.00 0.00 ATOM 448 C MET 56 17.843 17.168 20.682 1.00 0.00 ATOM 449 N ILE 57 18.453 18.222 21.163 1.00 0.00 ATOM 450 CA ILE 57 19.911 18.417 20.938 1.00 0.00 ATOM 451 CB ILE 57 20.188 19.874 20.693 1.00 0.00 ATOM 452 CG1 ILE 57 21.687 20.183 20.852 1.00 0.00 ATOM 453 CG2 ILE 57 19.298 20.689 21.648 1.00 0.00 ATOM 454 CD1 ILE 57 22.093 21.565 20.342 1.00 0.00 ATOM 455 O ILE 57 20.208 18.729 23.299 1.00 0.00 ATOM 456 C ILE 57 20.636 18.215 22.264 1.00 0.00 ATOM 457 N GLN 58 21.735 17.468 22.232 1.00 0.00 ATOM 458 CA GLN 58 22.482 17.223 23.413 1.00 0.00 ATOM 459 CB GLN 58 23.138 15.832 23.549 1.00 0.00 ATOM 460 CG GLN 58 22.166 14.657 23.663 1.00 0.00 ATOM 461 CD GLN 58 23.004 13.396 23.844 1.00 0.00 ATOM 462 OE1 GLN 58 22.554 12.283 23.580 1.00 0.00 ATOM 463 NE2 GLN 58 24.268 13.578 24.313 1.00 0.00 ATOM 464 O GLN 58 24.432 18.336 22.525 1.00 0.00 ATOM 465 C GLN 58 23.619 18.219 23.460 1.00 0.00 ATOM 466 N VAL 59 23.681 18.936 24.570 1.00 0.00 ATOM 467 CA VAL 59 24.744 19.950 24.738 1.00 0.00 ATOM 468 CB VAL 59 24.239 21.365 24.684 1.00 0.00 ATOM 469 CG1 VAL 59 25.397 22.335 24.982 1.00 0.00 ATOM 470 CG2 VAL 59 23.564 21.580 23.320 1.00 0.00 ATOM 471 O VAL 59 24.654 19.396 27.040 1.00 0.00 ATOM 472 C VAL 59 25.338 19.769 26.086 1.00 0.00 ATOM 473 N SER 60 26.636 20.035 26.191 1.00 0.00 ATOM 474 CA SER 60 27.336 19.897 27.463 1.00 0.00 ATOM 475 CB SER 60 28.825 19.548 27.283 1.00 0.00 ATOM 476 OG SER 60 29.454 19.412 28.549 1.00 0.00 ATOM 477 O SER 60 27.519 22.255 27.563 1.00 0.00 ATOM 478 C SER 60 27.274 21.205 28.157 1.00 0.00 ATOM 479 N ILE 61 26.943 21.164 29.443 1.00 0.00 ATOM 480 CA ILE 61 26.850 22.383 30.238 1.00 0.00 ATOM 481 CB ILE 61 26.429 22.169 31.704 1.00 0.00 ATOM 482 CG1 ILE 61 25.030 21.573 31.852 1.00 0.00 ATOM 483 CG2 ILE 61 26.467 23.422 32.574 1.00 0.00 ATOM 484 CD1 ILE 61 23.957 22.261 31.030 1.00 0.00 ATOM 485 O ILE 61 29.195 22.443 30.685 1.00 0.00 ATOM 486 C ILE 61 28.195 23.015 30.257 1.00 0.00 ATOM 487 N PRO 62 28.197 24.228 29.785 1.00 0.00 ATOM 488 CA PRO 62 29.398 24.994 29.678 1.00 0.00 ATOM 489 CB PRO 62 29.011 26.270 28.933 1.00 0.00 ATOM 490 CG PRO 62 27.776 25.847 28.106 1.00 0.00 ATOM 491 CD PRO 62 27.133 24.723 28.927 1.00 0.00 ATOM 492 O PRO 62 29.268 25.293 32.053 1.00 0.00 ATOM 493 C PRO 62 29.997 25.212 31.064 1.00 0.00 ATOM 494 N ALA 63 31.322 25.174 31.150 1.00 0.00 ATOM 495 CA ALA 63 31.983 25.369 32.402 1.00 0.00 ATOM 496 CB ALA 63 33.466 25.000 32.294 1.00 0.00 ATOM 497 O ALA 63 31.708 27.689 31.996 1.00 0.00 ATOM 498 C ALA 63 31.917 26.795 32.817 1.00 0.00 ATOM 499 N SER 64 32.098 27.033 34.112 1.00 0.00 ATOM 500 CA SER 64 32.059 28.391 34.643 1.00 0.00 ATOM 501 CB SER 64 30.663 28.849 35.097 1.00 0.00 ATOM 502 OG SER 64 30.251 28.104 36.231 1.00 0.00 ATOM 503 O SER 64 33.478 27.518 36.353 1.00 0.00 ATOM 504 C SER 64 32.969 28.508 35.827 1.00 0.00 ATOM 505 N VAL 65 33.194 29.756 36.283 1.00 0.00 ATOM 506 CA VAL 65 34.072 30.018 37.389 1.00 0.00 ATOM 507 CB VAL 65 34.332 31.542 37.561 1.00 0.00 ATOM 508 CG1 VAL 65 34.896 32.122 36.264 1.00 0.00 ATOM 509 CG2 VAL 65 33.040 32.254 37.954 1.00 0.00 ATOM 510 O VAL 65 32.307 29.034 38.636 1.00 0.00 ATOM 511 C VAL 65 33.480 29.407 38.622 1.00 0.00 ATOM 512 N PRO 66 34.281 29.250 39.651 1.00 0.00 ATOM 513 CA PRO 66 33.759 28.730 40.886 1.00 0.00 ATOM 514 CB PRO 66 34.971 28.386 41.743 1.00 0.00 ATOM 515 CG PRO 66 36.027 27.980 40.698 1.00 0.00 ATOM 516 CD PRO 66 35.654 28.784 39.434 1.00 0.00 ATOM 517 O PRO 66 32.909 30.905 41.054 1.00 0.00 ATOM 518 C PRO 66 32.806 29.738 41.418 1.00 0.00 ATOM 519 N LEU 67 31.843 29.299 42.244 1.00 0.00 ATOM 520 CA LEU 67 30.766 30.135 42.689 1.00 0.00 ATOM 521 CB LEU 67 29.767 29.335 43.534 1.00 0.00 ATOM 522 CG LEU 67 29.212 28.132 42.743 1.00 0.00 ATOM 523 CD1 LEU 67 28.113 27.391 43.518 1.00 0.00 ATOM 524 CD2 LEU 67 28.802 28.542 41.319 1.00 0.00 ATOM 525 O LEU 67 30.906 32.452 43.296 1.00 0.00 ATOM 526 C LEU 67 31.300 31.304 43.510 1.00 0.00 ATOM 527 N LYS 68 32.200 31.013 44.442 1.00 0.00 ATOM 528 CA LYS 68 32.764 32.038 45.263 1.00 0.00 ATOM 529 CB LYS 68 33.719 31.524 46.355 1.00 0.00 ATOM 530 CG LYS 68 33.001 30.731 47.448 1.00 0.00 ATOM 531 CD LYS 68 31.908 31.534 48.160 1.00 0.00 ATOM 532 CE LYS 68 31.127 30.730 49.203 1.00 0.00 ATOM 533 NZ LYS 68 29.991 31.530 49.713 1.00 0.00 ATOM 534 O LYS 68 33.683 34.188 44.784 1.00 0.00 ATOM 535 C LYS 68 33.552 33.017 44.427 1.00 0.00 ATOM 536 N GLU 69 34.084 32.540 43.306 1.00 0.00 ATOM 537 CA GLU 69 34.866 33.394 42.419 1.00 0.00 ATOM 538 CB GLU 69 35.953 32.608 41.669 1.00 0.00 ATOM 539 CG GLU 69 37.040 32.061 42.602 1.00 0.00 ATOM 540 CD GLU 69 37.797 33.231 43.217 1.00 0.00 ATOM 541 OE1 GLU 69 37.874 34.307 42.566 1.00 0.00 ATOM 542 OE2 GLU 69 38.314 33.061 44.355 1.00 0.00 ATOM 543 O GLU 69 34.607 34.796 40.533 1.00 0.00 ATOM 544 C GLU 69 34.059 33.967 41.272 1.00 0.00 ATOM 545 N PHE 70 32.807 33.494 41.078 1.00 0.00 ATOM 546 CA PHE 70 32.104 34.006 39.893 1.00 0.00 ATOM 547 CB PHE 70 30.755 33.282 39.651 1.00 0.00 ATOM 548 CG PHE 70 30.017 33.762 38.413 1.00 0.00 ATOM 549 CD1 PHE 70 30.360 33.284 37.166 1.00 0.00 ATOM 550 CD2 PHE 70 28.984 34.693 38.542 1.00 0.00 ATOM 551 CE1 PHE 70 29.709 33.675 36.020 1.00 0.00 ATOM 552 CE2 PHE 70 28.324 35.143 37.386 1.00 0.00 ATOM 553 CZ PHE 70 28.677 34.619 36.120 1.00 0.00 ATOM 554 O PHE 70 31.366 35.968 41.023 1.00 0.00 ATOM 555 C PHE 70 31.814 35.470 39.990 1.00 0.00 ATOM 556 N ASP 71 32.078 36.191 38.873 1.00 0.00 ATOM 557 CA ASP 71 31.873 37.611 38.795 1.00 0.00 ATOM 558 CB ASP 71 32.906 38.291 37.888 1.00 0.00 ATOM 559 CG ASP 71 32.681 39.770 37.725 1.00 0.00 ATOM 560 OD1 ASP 71 31.583 40.257 38.074 1.00 0.00 ATOM 561 OD2 ASP 71 33.603 40.453 37.228 1.00 0.00 ATOM 562 O ASP 71 30.242 37.707 37.037 1.00 0.00 ATOM 563 C ASP 71 30.479 37.874 38.235 1.00 0.00 ATOM 564 N TYR 72 29.550 38.250 39.108 1.00 0.00 ATOM 565 CA TYR 72 28.207 38.524 38.685 1.00 0.00 ATOM 566 CB TYR 72 27.317 38.423 39.991 1.00 0.00 ATOM 567 CG TYR 72 25.872 38.734 39.794 1.00 0.00 ATOM 568 CD1 TYR 72 25.059 37.903 39.049 1.00 0.00 ATOM 569 CD2 TYR 72 25.290 39.840 40.451 1.00 0.00 ATOM 570 CE1 TYR 72 23.672 38.119 38.933 1.00 0.00 ATOM 571 CE2 TYR 72 23.896 40.071 40.348 1.00 0.00 ATOM 572 CZ TYR 72 23.116 39.216 39.601 1.00 0.00 ATOM 573 OH TYR 72 21.740 39.378 39.511 1.00 0.00 ATOM 574 O TYR 72 27.177 39.798 36.931 1.00 0.00 ATOM 575 C TYR 72 28.086 39.730 37.758 1.00 0.00 ATOM 576 N ASN 73 29.006 40.680 37.897 1.00 0.00 ATOM 577 CA ASN 73 28.983 41.846 37.076 1.00 0.00 ATOM 578 CB ASN 73 30.029 42.885 37.514 1.00 0.00 ATOM 579 CG ASN 73 29.745 44.214 36.825 1.00 0.00 ATOM 580 ND2 ASN 73 30.540 45.252 37.194 1.00 0.00 ATOM 581 OD1 ASN 73 28.852 44.334 35.989 1.00 0.00 ATOM 582 O ASN 73 29.353 42.376 34.757 1.00 0.00 ATOM 583 C ASN 73 29.553 41.579 35.674 1.00 0.00 ATOM 584 N ALA 74 30.257 40.463 35.517 1.00 0.00 ATOM 585 CA ALA 74 30.840 40.111 34.227 1.00 0.00 ATOM 586 CB ALA 74 32.343 40.185 34.285 1.00 0.00 ATOM 587 O ALA 74 30.803 38.190 32.778 1.00 0.00 ATOM 588 C ALA 74 30.168 38.887 33.554 1.00 0.00 ATOM 589 N ARG 75 28.889 38.655 33.843 1.00 0.00 ATOM 590 CA ARG 75 28.203 37.476 33.333 1.00 0.00 ATOM 591 CB ARG 75 26.724 37.822 33.573 1.00 0.00 ATOM 592 CG ARG 75 25.730 36.800 33.029 1.00 0.00 ATOM 593 CD ARG 75 24.300 37.344 32.986 1.00 0.00 ATOM 594 NE ARG 75 23.964 37.805 34.363 1.00 0.00 ATOM 595 CZ ARG 75 22.971 38.718 34.555 1.00 0.00 ATOM 596 NH1 ARG 75 22.253 39.189 33.495 1.00 0.00 ATOM 597 NH2 ARG 75 22.700 39.166 35.819 1.00 0.00 ATOM 598 O ARG 75 28.438 38.267 31.116 1.00 0.00 ATOM 599 C ARG 75 28.454 37.299 31.858 1.00 0.00 ATOM 600 N VAL 76 28.724 36.072 31.440 1.00 0.00 ATOM 601 CA VAL 76 28.945 35.754 30.025 1.00 0.00 ATOM 602 CB VAL 76 30.289 35.148 29.722 1.00 0.00 ATOM 603 CG1 VAL 76 31.387 36.135 30.156 1.00 0.00 ATOM 604 CG2 VAL 76 30.372 33.771 30.397 1.00 0.00 ATOM 605 O VAL 76 27.273 34.076 30.407 1.00 0.00 ATOM 606 C VAL 76 27.838 34.800 29.586 1.00 0.00 ATOM 607 N GLU 77 27.531 34.802 28.293 1.00 0.00 ATOM 608 CA GLU 77 26.504 33.938 27.775 1.00 0.00 ATOM 609 CB GLU 77 25.251 34.771 27.461 1.00 0.00 ATOM 610 CG GLU 77 24.029 34.010 26.953 1.00 0.00 ATOM 611 CD GLU 77 22.956 35.073 26.752 1.00 0.00 ATOM 612 OE1 GLU 77 23.290 36.274 26.934 1.00 0.00 ATOM 613 OE2 GLU 77 21.797 34.707 26.422 1.00 0.00 ATOM 614 O GLU 77 27.738 33.865 25.745 1.00 0.00 ATOM 615 C GLU 77 26.967 33.283 26.505 1.00 0.00 ATOM 616 N LEU 78 26.526 32.028 26.253 1.00 0.00 ATOM 617 CA LEU 78 26.912 31.375 25.030 1.00 0.00 ATOM 618 CB LEU 78 27.678 30.049 25.207 1.00 0.00 ATOM 619 CG LEU 78 27.956 29.299 23.884 1.00 0.00 ATOM 620 CD1 LEU 78 26.750 28.463 23.408 1.00 0.00 ATOM 621 CD2 LEU 78 28.456 30.267 22.800 1.00 0.00 ATOM 622 O LEU 78 24.868 30.247 24.585 1.00 0.00 ATOM 623 C LEU 78 25.717 31.048 24.195 1.00 0.00 ATOM 624 N ILE 79 25.645 31.657 22.993 1.00 0.00 ATOM 625 CA ILE 79 24.550 31.386 22.106 1.00 0.00 ATOM 626 CB ILE 79 23.767 32.654 21.818 1.00 0.00 ATOM 627 CG1 ILE 79 23.122 33.139 23.130 1.00 0.00 ATOM 628 CG2 ILE 79 22.693 32.341 20.757 1.00 0.00 ATOM 629 CD1 ILE 79 22.571 34.572 23.094 1.00 0.00 ATOM 630 O ILE 79 25.904 31.782 20.182 1.00 0.00 ATOM 631 C ILE 79 25.033 31.084 20.690 1.00 0.00 ATOM 632 N ASN 80 24.461 30.091 20.085 1.00 0.00 ATOM 633 CA ASN 80 24.737 29.760 18.689 1.00 0.00 ATOM 634 CB ASN 80 25.613 28.504 18.611 1.00 0.00 ATOM 635 CG ASN 80 27.018 28.841 19.091 1.00 0.00 ATOM 636 ND2 ASN 80 27.690 27.834 19.707 1.00 0.00 ATOM 637 OD1 ASN 80 27.517 29.949 18.910 1.00 0.00 ATOM 638 O ASN 80 22.401 29.341 18.552 1.00 0.00 ATOM 639 C ASN 80 23.474 29.448 17.954 1.00 0.00 ATOM 640 N PRO 81 23.565 29.305 16.660 1.00 0.00 ATOM 641 CA PRO 81 22.416 29.053 15.838 1.00 0.00 ATOM 642 CB PRO 81 22.948 28.952 14.412 1.00 0.00 ATOM 643 CG PRO 81 24.256 29.765 14.445 1.00 0.00 ATOM 644 CD PRO 81 24.747 29.646 15.898 1.00 0.00 ATOM 645 O PRO 81 20.498 27.639 16.124 1.00 0.00 ATOM 646 C PRO 81 21.715 27.765 16.264 1.00 0.00 ATOM 647 N ILE 82 22.484 26.813 16.784 1.00 0.00 ATOM 648 CA ILE 82 21.918 25.543 17.226 1.00 0.00 ATOM 649 CB ILE 82 23.109 24.458 17.154 1.00 0.00 ATOM 650 CG1 ILE 82 23.488 24.075 15.728 1.00 0.00 ATOM 651 CG2 ILE 82 22.773 23.185 17.980 1.00 0.00 ATOM 652 CD1 ILE 82 24.773 23.258 15.655 1.00 0.00 ATOM 653 O ILE 82 20.190 25.094 18.828 1.00 0.00 ATOM 654 C ILE 82 21.286 25.616 18.614 1.00 0.00 ATOM 655 N ALA 83 21.951 26.347 19.520 1.00 0.00 ATOM 656 CA ALA 83 21.437 26.447 20.878 1.00 0.00 ATOM 657 CB ALA 83 21.833 25.198 21.682 1.00 0.00 ATOM 658 O ALA 83 23.208 28.003 21.239 1.00 0.00 ATOM 659 C ALA 83 22.139 27.541 21.644 1.00 0.00 ATOM 660 N ASP 84 21.567 27.894 22.806 1.00 0.00 ATOM 661 CA ASP 84 22.196 28.896 23.650 1.00 0.00 ATOM 662 CB ASP 84 21.810 30.336 23.248 1.00 0.00 ATOM 663 CG ASP 84 20.341 30.615 23.504 1.00 0.00 ATOM 664 OD1 ASP 84 19.999 30.994 24.656 1.00 0.00 ATOM 665 OD2 ASP 84 19.543 30.479 22.539 1.00 0.00 ATOM 666 O ASP 84 20.863 28.198 25.498 1.00 0.00 ATOM 667 C ASP 84 21.922 28.694 25.115 1.00 0.00 ATOM 668 N THR 85 22.910 29.038 25.977 1.00 0.00 ATOM 669 CA THR 85 22.745 28.887 27.397 1.00 0.00 ATOM 670 CB THR 85 23.607 27.745 27.882 1.00 0.00 ATOM 671 CG2 THR 85 23.056 26.431 27.319 1.00 0.00 ATOM 672 OG1 THR 85 24.956 27.908 27.435 1.00 0.00 ATOM 673 O THR 85 24.127 30.850 27.433 1.00 0.00 ATOM 674 C THR 85 23.406 30.094 28.044 1.00 0.00 ATOM 675 N VAL 86 23.050 30.337 29.305 1.00 0.00 ATOM 676 CA VAL 86 23.708 31.352 30.094 1.00 0.00 ATOM 677 CB VAL 86 22.771 32.484 30.394 1.00 0.00 ATOM 678 CG1 VAL 86 23.464 33.471 31.347 1.00 0.00 ATOM 679 CG2 VAL 86 22.318 33.104 29.063 1.00 0.00 ATOM 680 O VAL 86 23.424 30.045 32.087 1.00 0.00 ATOM 681 C VAL 86 24.151 30.807 31.447 1.00 0.00 ATOM 682 N ALA 87 25.344 31.199 31.884 1.00 0.00 ATOM 683 CA ALA 87 25.855 30.746 33.147 1.00 0.00 ATOM 684 CB ALA 87 27.370 30.491 33.132 1.00 0.00 ATOM 685 O ALA 87 26.057 32.993 33.885 1.00 0.00 ATOM 686 C ALA 87 25.634 31.861 34.122 1.00 0.00 ATOM 687 N THR 88 24.912 31.589 35.231 1.00 0.00 ATOM 688 CA THR 88 24.651 32.647 36.171 1.00 0.00 ATOM 689 CB THR 88 23.224 33.111 36.182 1.00 0.00 ATOM 690 CG2 THR 88 22.360 32.021 36.835 1.00 0.00 ATOM 691 OG1 THR 88 23.110 34.326 36.912 1.00 0.00 ATOM 692 O THR 88 24.938 30.983 37.851 1.00 0.00 ATOM 693 C THR 88 24.969 32.177 37.560 1.00 0.00 ATOM 694 N ALA 89 25.310 33.125 38.457 1.00 0.00 ATOM 695 CA ALA 89 25.596 32.768 39.821 1.00 0.00 ATOM 696 CB ALA 89 27.095 32.549 40.098 1.00 0.00 ATOM 697 O ALA 89 25.210 35.085 40.308 1.00 0.00 ATOM 698 C ALA 89 25.128 33.922 40.701 1.00 0.00 ATOM 699 N THR 90 24.639 33.597 41.894 1.00 0.00 ATOM 700 CA THR 90 24.170 34.607 42.799 1.00 0.00 ATOM 701 CB THR 90 23.378 34.053 44.010 1.00 0.00 ATOM 702 CG2 THR 90 22.070 33.390 43.545 1.00 0.00 ATOM 703 OG1 THR 90 24.184 33.107 44.718 1.00 0.00 ATOM 704 O THR 90 26.470 34.956 43.270 1.00 0.00 ATOM 705 C THR 90 25.323 35.406 43.296 1.00 0.00 ATOM 706 N TYR 91 25.034 36.617 43.762 1.00 0.00 ATOM 707 CA TYR 91 26.077 37.496 44.280 1.00 0.00 ATOM 708 CB TYR 91 25.561 38.838 44.822 1.00 0.00 ATOM 709 CG TYR 91 26.792 39.618 45.132 1.00 0.00 ATOM 710 CD1 TYR 91 27.458 40.272 44.119 1.00 0.00 ATOM 711 CD2 TYR 91 27.289 39.692 46.411 1.00 0.00 ATOM 712 CE1 TYR 91 28.598 40.991 44.378 1.00 0.00 ATOM 713 CE2 TYR 91 28.430 40.411 46.679 1.00 0.00 ATOM 714 CZ TYR 91 29.084 41.058 45.661 1.00 0.00 ATOM 715 OH TYR 91 30.257 41.799 45.925 1.00 0.00 ATOM 716 O TYR 91 28.036 36.921 45.487 1.00 0.00 ATOM 717 C TYR 91 26.813 36.826 45.390 1.00 0.00 ATOM 718 N GLN 92 26.063 36.143 46.268 1.00 0.00 ATOM 719 CA GLN 92 26.606 35.428 47.383 1.00 0.00 ATOM 720 CB GLN 92 25.452 34.925 48.285 1.00 0.00 ATOM 721 CG GLN 92 24.601 36.011 48.900 1.00 0.00 ATOM 722 CD GLN 92 24.995 36.321 50.339 1.00 0.00 ATOM 723 OE1 GLN 92 25.930 37.091 50.596 1.00 0.00 ATOM 724 NE2 GLN 92 24.282 35.707 51.289 1.00 0.00 ATOM 725 O GLN 92 28.354 33.826 47.555 1.00 0.00 ATOM 726 C GLN 92 27.438 34.278 46.880 1.00 0.00 ATOM 727 N GLY 93 27.102 33.789 45.684 1.00 0.00 ATOM 728 CA GLY 93 27.816 32.644 45.149 1.00 0.00 ATOM 729 O GLY 93 27.799 30.301 45.516 1.00 0.00 ATOM 730 C GLY 93 27.249 31.384 45.706 1.00 0.00 ATOM 731 N ALA 94 26.148 31.522 46.463 1.00 0.00 ATOM 732 CA ALA 94 25.487 30.408 47.071 1.00 0.00 ATOM 733 CB ALA 94 24.398 30.830 48.066 1.00 0.00 ATOM 734 O ALA 94 24.911 28.249 46.195 1.00 0.00 ATOM 735 C ALA 94 24.809 29.471 46.077 1.00 0.00 ATOM 736 N ASP 95 24.115 30.045 45.099 1.00 0.00 ATOM 737 CA ASP 95 23.442 29.253 44.109 1.00 0.00 ATOM 738 CB ASP 95 21.979 29.643 44.043 1.00 0.00 ATOM 739 CG ASP 95 21.151 29.218 45.239 1.00 0.00 ATOM 740 OD1 ASP 95 21.532 28.284 45.968 1.00 0.00 ATOM 741 OD2 ASP 95 20.070 29.752 45.456 1.00 0.00 ATOM 742 O ASP 95 24.110 30.636 42.267 1.00 0.00 ATOM 743 C ASP 95 23.864 29.497 42.664 1.00 0.00 ATOM 744 N VAL 96 23.947 28.427 41.881 1.00 0.00 ATOM 745 CA VAL 96 24.331 28.551 40.521 1.00 0.00 ATOM 746 CB VAL 96 25.865 28.362 40.363 1.00 0.00 ATOM 747 CG1 VAL 96 26.260 26.971 40.830 1.00 0.00 ATOM 748 CG2 VAL 96 26.272 28.576 38.912 1.00 0.00 ATOM 749 O VAL 96 23.345 26.440 39.939 1.00 0.00 ATOM 750 C VAL 96 23.416 27.646 39.697 1.00 0.00 ATOM 751 N ASP 97 22.720 28.228 38.726 1.00 0.00 ATOM 752 CA ASP 97 21.819 27.459 37.876 1.00 0.00 ATOM 753 CB ASP 97 20.411 28.090 37.987 1.00 0.00 ATOM 754 CG ASP 97 19.389 27.423 37.072 1.00 0.00 ATOM 755 OD1 ASP 97 19.606 27.380 35.832 1.00 0.00 ATOM 756 OD2 ASP 97 18.360 26.940 37.616 1.00 0.00 ATOM 757 O ASP 97 22.564 28.745 36.034 1.00 0.00 ATOM 758 C ASP 97 22.272 27.630 36.460 1.00 0.00 ATOM 759 N TRP 98 22.304 26.537 35.664 1.00 0.00 ATOM 760 CA TRP 98 22.711 26.717 34.298 1.00 0.00 ATOM 761 CB TRP 98 23.599 25.599 33.739 1.00 0.00 ATOM 762 CG TRP 98 24.167 25.977 32.398 1.00 0.00 ATOM 763 CD1 TRP 98 23.635 25.839 31.149 1.00 0.00 ATOM 764 CD2 TRP 98 25.438 26.617 32.232 1.00 0.00 ATOM 765 CE2 TRP 98 25.605 26.856 30.873 1.00 0.00 ATOM 766 CE3 TRP 98 26.384 26.996 33.142 1.00 0.00 ATOM 767 NE1 TRP 98 24.488 26.376 30.218 1.00 0.00 ATOM 768 CZ2 TRP 98 26.719 27.482 30.403 1.00 0.00 ATOM 769 CZ3 TRP 98 27.522 27.600 32.661 1.00 0.00 ATOM 770 CH2 TRP 98 27.686 27.841 31.313 1.00 0.00 ATOM 771 O TRP 98 20.733 25.754 33.373 1.00 0.00 ATOM 772 C TRP 98 21.461 26.741 33.458 1.00 0.00 ATOM 773 N TYR 99 21.212 27.879 32.774 1.00 0.00 ATOM 774 CA TYR 99 20.017 28.102 32.002 1.00 0.00 ATOM 775 CB TYR 99 19.520 29.554 32.147 1.00 0.00 ATOM 776 CG TYR 99 19.071 29.944 33.533 1.00 0.00 ATOM 777 CD1 TYR 99 17.714 29.937 33.868 1.00 0.00 ATOM 778 CD2 TYR 99 19.992 30.369 34.489 1.00 0.00 ATOM 779 CE1 TYR 99 17.290 30.296 35.149 1.00 0.00 ATOM 780 CE2 TYR 99 19.583 30.726 35.767 1.00 0.00 ATOM 781 CZ TYR 99 18.236 30.703 36.078 1.00 0.00 ATOM 782 OH TYR 99 17.842 31.077 37.340 1.00 0.00 ATOM 783 O TYR 99 21.349 28.284 30.042 1.00 0.00 ATOM 784 C TYR 99 20.297 27.899 30.516 1.00 0.00 ATOM 785 N ILE 100 19.387 27.262 29.847 1.00 0.00 ATOM 786 CA ILE 100 19.449 27.105 28.383 1.00 0.00 ATOM 787 CB ILE 100 19.537 25.676 27.915 1.00 0.00 ATOM 788 CG1 ILE 100 19.632 25.631 26.380 1.00 0.00 ATOM 789 CG2 ILE 100 18.359 24.878 28.500 1.00 0.00 ATOM 790 CD1 ILE 100 19.912 24.236 25.821 1.00 0.00 ATOM 791 O ILE 100 17.085 27.268 28.078 1.00 0.00 ATOM 792 C ILE 100 18.204 27.691 27.783 1.00 0.00 ATOM 793 N LYS 101 18.372 28.684 26.891 1.00 0.00 ATOM 794 CA LYS 101 17.238 29.330 26.291 1.00 0.00 ATOM 795 CB LYS 101 17.370 30.865 26.294 1.00 0.00 ATOM 796 CG LYS 101 17.373 31.482 27.696 1.00 0.00 ATOM 797 CD LYS 101 17.964 32.894 27.761 1.00 0.00 ATOM 798 CE LYS 101 17.478 33.832 26.652 1.00 0.00 ATOM 799 NZ LYS 101 16.144 34.372 26.991 1.00 0.00 ATOM 800 O LYS 101 18.191 28.783 24.183 1.00 0.00 ATOM 801 C LYS 101 17.119 28.899 24.823 1.00 0.00 ATOM 802 N ALA 102 15.967 28.565 24.418 1.00 0.00 ATOM 803 CA ALA 102 15.782 28.184 23.010 1.00 0.00 ATOM 804 CB ALA 102 15.695 26.660 22.816 1.00 0.00 ATOM 805 O ALA 102 13.727 29.380 23.331 1.00 0.00 ATOM 806 C ALA 102 14.465 28.793 22.538 1.00 0.00 ATOM 807 N ASP 103 14.172 28.652 21.250 1.00 0.00 ATOM 808 CA ASP 103 12.976 29.178 20.723 1.00 0.00 ATOM 809 CB ASP 103 12.848 29.034 19.199 1.00 0.00 ATOM 810 CG ASP 103 11.670 29.893 18.753 1.00 0.00 ATOM 811 OD1 ASP 103 10.505 29.516 19.041 1.00 0.00 ATOM 812 OD2 ASP 103 11.928 30.942 18.105 1.00 0.00 ATOM 813 O ASP 103 10.661 28.943 21.302 1.00 0.00 ATOM 814 C ASP 103 11.774 28.417 21.267 1.00 0.00 ATOM 815 N ASP 104 11.999 27.178 21.695 1.00 0.00 ATOM 816 CA ASP 104 10.922 26.359 22.238 1.00 0.00 ATOM 817 CB ASP 104 11.101 24.847 22.046 1.00 0.00 ATOM 818 CG ASP 104 12.453 24.488 22.636 1.00 0.00 ATOM 819 OD1 ASP 104 13.487 24.741 21.962 1.00 0.00 ATOM 820 OD2 ASP 104 12.465 24.004 23.799 1.00 0.00 ATOM 821 O ASP 104 9.629 26.958 24.141 1.00 0.00 ATOM 822 C ASP 104 10.730 26.601 23.721 1.00 0.00 ATOM 823 N ILE 105 11.788 26.435 24.556 1.00 0.00 ATOM 824 CA ILE 105 11.611 26.448 25.991 1.00 0.00 ATOM 825 CB ILE 105 11.388 25.047 26.610 1.00 0.00 ATOM 826 CG1 ILE 105 12.606 24.117 26.446 1.00 0.00 ATOM 827 CG2 ILE 105 10.157 24.409 26.006 1.00 0.00 ATOM 828 CD1 ILE 105 12.462 22.776 27.145 1.00 0.00 ATOM 829 O ILE 105 13.949 27.006 25.901 1.00 0.00 ATOM 830 C ILE 105 12.928 26.903 26.588 1.00 0.00 ATOM 831 N VAL 106 12.889 27.200 27.903 1.00 0.00 ATOM 832 CA VAL 106 14.031 27.600 28.699 1.00 0.00 ATOM 833 CB VAL 106 13.869 28.933 29.368 1.00 0.00 ATOM 834 CG1 VAL 106 15.110 29.225 30.226 1.00 0.00 ATOM 835 CG2 VAL 106 13.573 29.984 28.286 1.00 0.00 ATOM 836 O VAL 106 13.217 26.306 30.548 1.00 0.00 ATOM 837 C VAL 106 14.176 26.584 29.828 1.00 0.00 ATOM 838 N LEU 107 15.375 26.032 29.979 1.00 0.00 ATOM 839 CA LEU 107 15.618 25.069 31.011 1.00 0.00 ATOM 840 CB LEU 107 15.943 23.702 30.411 1.00 0.00 ATOM 841 CG LEU 107 14.835 23.090 29.546 1.00 0.00 ATOM 842 CD1 LEU 107 15.347 21.822 28.876 1.00 0.00 ATOM 843 CD2 LEU 107 13.609 22.800 30.406 1.00 0.00 ATOM 844 O LEU 107 17.344 26.637 31.560 1.00 0.00 ATOM 845 C LEU 107 16.652 25.686 31.931 1.00 0.00 ATOM 846 N THR 108 16.621 25.258 33.174 1.00 0.00 ATOM 847 CA THR 108 17.570 25.721 34.174 1.00 0.00 ATOM 848 CB THR 108 16.929 26.657 35.150 1.00 0.00 ATOM 849 CG2 THR 108 16.081 27.655 34.346 1.00 0.00 ATOM 850 OG1 THR 108 16.080 25.939 36.034 1.00 0.00 ATOM 851 O THR 108 17.222 23.646 35.267 1.00 0.00 ATOM 852 C THR 108 18.016 24.541 34.982 1.00 0.00 ATOM 853 N LYS 109 19.300 24.499 35.383 1.00 0.00 ATOM 854 CA LYS 109 19.725 23.366 36.156 1.00 0.00 ATOM 855 CB LYS 109 21.162 22.911 35.876 1.00 0.00 ATOM 856 CG LYS 109 21.411 21.537 36.485 1.00 0.00 ATOM 857 CD LYS 109 20.443 20.485 35.940 1.00 0.00 ATOM 858 CE LYS 109 20.517 19.138 36.658 1.00 0.00 ATOM 859 NZ LYS 109 19.476 18.229 36.124 1.00 0.00 ATOM 860 O LYS 109 19.916 24.783 38.055 1.00 0.00 ATOM 861 C LYS 109 19.597 23.684 37.609 1.00 0.00 ATOM 862 N ASP 110 19.243 22.670 38.420 1.00 0.00 ATOM 863 CA ASP 110 18.988 22.911 39.811 1.00 0.00 ATOM 864 CB ASP 110 18.419 21.685 40.542 1.00 0.00 ATOM 865 CG ASP 110 17.032 21.433 39.961 1.00 0.00 ATOM 866 OD1 ASP 110 16.577 22.284 39.152 1.00 0.00 ATOM 867 OD2 ASP 110 16.409 20.395 40.314 1.00 0.00 ATOM 868 O ASP 110 21.354 23.130 39.944 1.00 0.00 ATOM 869 C ASP 110 20.261 23.339 40.467 1.00 0.00 ATOM 870 N SER 111 20.126 23.985 41.644 1.00 0.00 ATOM 871 CA SER 111 21.243 24.544 42.348 1.00 0.00 ATOM 872 CB SER 111 20.845 25.308 43.620 1.00 0.00 ATOM 873 OG SER 111 20.343 24.407 44.595 1.00 0.00 ATOM 874 O SER 111 23.441 23.671 42.756 1.00 0.00 ATOM 875 C SER 111 22.226 23.468 42.796 1.00 0.00 ATOM 876 N SER 112 21.701 22.323 43.220 1.00 0.00 ATOM 877 CA SER 112 22.532 21.260 43.655 1.00 0.00 ATOM 878 CB SER 112 21.751 20.131 44.350 1.00 0.00 ATOM 879 OG SER 112 20.841 19.518 43.447 1.00 0.00 ATOM 880 O SER 112 24.303 19.913 42.755 1.00 0.00 ATOM 881 C SER 112 23.291 20.577 42.522 1.00 0.00 ATOM 882 N SER 113 22.804 20.741 41.297 1.00 0.00 ATOM 883 CA SER 113 23.440 20.148 40.182 1.00 0.00 ATOM 884 CB SER 113 22.544 20.062 38.945 1.00 0.00 ATOM 885 OG SER 113 23.248 19.444 37.881 1.00 0.00 ATOM 886 O SER 113 25.512 20.198 39.014 1.00 0.00 ATOM 887 C SER 113 24.704 20.806 39.717 1.00 0.00 ATOM 888 N PHE 114 24.851 22.088 40.037 1.00 0.00 ATOM 889 CA PHE 114 26.041 22.834 39.643 1.00 0.00 ATOM 890 CB PHE 114 25.578 23.961 38.640 1.00 0.00 ATOM 891 CG PHE 114 26.608 24.392 37.637 1.00 0.00 ATOM 892 CD1 PHE 114 27.227 23.458 36.812 1.00 0.00 ATOM 893 CD2 PHE 114 26.945 25.733 37.499 1.00 0.00 ATOM 894 CE1 PHE 114 28.167 23.853 35.865 1.00 0.00 ATOM 895 CE2 PHE 114 27.882 26.139 36.554 1.00 0.00 ATOM 896 CZ PHE 114 28.495 25.198 35.736 1.00 0.00 ATOM 897 O PHE 114 26.699 23.092 41.921 1.00 0.00 ATOM 898 C PHE 114 27.039 22.794 40.779 1.00 0.00 ATOM 899 N LYS 115 28.296 22.377 40.496 1.00 0.00 ATOM 900 CA LYS 115 29.285 22.200 41.533 1.00 0.00 ATOM 901 CB LYS 115 30.586 21.541 41.042 1.00 0.00 ATOM 902 CG LYS 115 31.625 21.356 42.152 1.00 0.00 ATOM 903 CD LYS 115 32.844 20.546 41.718 1.00 0.00 ATOM 904 CE LYS 115 32.506 19.112 41.305 1.00 0.00 ATOM 905 NZ LYS 115 32.077 18.334 42.486 1.00 0.00 ATOM 906 O LYS 115 30.364 24.351 41.729 1.00 0.00 ATOM 907 C LYS 115 29.746 23.453 42.296 1.00 0.00 ATOM 908 N ALA 116 29.487 23.638 43.543 1.00 0.00 ATOM 909 CA ALA 116 29.808 24.730 44.447 1.00 0.00 ATOM 910 CB ALA 116 28.633 24.831 45.489 1.00 0.00 ATOM 911 O ALA 116 31.324 25.089 46.275 1.00 0.00 ATOM 912 C ALA 116 31.047 24.420 45.287 1.00 0.00 ATOM 913 N GLN 117 31.807 23.342 44.885 1.00 0.00 ATOM 914 CA GLN 117 32.995 23.001 45.647 1.00 0.00 ATOM 915 CB GLN 117 33.546 21.664 45.120 1.00 0.00 ATOM 916 CG GLN 117 34.905 21.248 45.692 1.00 0.00 ATOM 917 CD GLN 117 35.343 20.009 44.922 1.00 0.00 ATOM 918 OE1 GLN 117 34.581 19.480 44.112 1.00 0.00 ATOM 919 NE2 GLN 117 36.594 19.539 45.167 1.00 0.00 ATOM 920 O GLN 117 34.538 24.303 44.386 1.00 0.00 ATOM 921 C GLN 117 34.097 24.038 45.504 1.00 0.00 ATOM 922 N PRO 118 34.531 24.549 46.595 1.00 0.00 ATOM 923 CA PRO 118 35.674 25.443 46.492 1.00 0.00 ATOM 924 CB PRO 118 35.741 26.028 47.934 1.00 0.00 ATOM 925 CG PRO 118 35.386 24.812 48.765 1.00 0.00 ATOM 926 CD PRO 118 34.196 24.277 47.984 1.00 0.00 ATOM 927 O PRO 118 37.089 23.538 46.136 1.00 0.00 ATOM 928 C PRO 118 36.976 24.764 46.081 1.00 0.00 ATOM 929 N GLN 119 37.957 25.560 45.670 1.00 0.00 ATOM 930 CA GLN 119 39.204 25.024 45.270 1.00 0.00 ATOM 931 CB GLN 119 39.862 25.747 44.084 1.00 0.00 ATOM 932 CG GLN 119 39.078 25.593 42.780 1.00 0.00 ATOM 933 CD GLN 119 39.175 24.131 42.367 1.00 0.00 ATOM 934 OE1 GLN 119 40.204 23.671 41.875 1.00 0.00 ATOM 935 NE2 GLN 119 38.067 23.375 42.582 1.00 0.00 ATOM 936 O GLN 119 40.513 26.092 46.975 1.00 0.00 ATOM 937 C GLN 119 40.154 25.030 46.464 1.00 0.00 ATOM 938 N ALA 120 40.560 23.844 46.905 1.00 0.00 ATOM 939 CA ALA 120 41.452 23.741 48.016 1.00 0.00 ATOM 940 CB ALA 120 41.800 22.269 48.302 1.00 0.00 ATOM 941 O ALA 120 43.406 24.943 48.645 1.00 0.00 ATOM 942 C ALA 120 42.732 24.458 47.737 1.00 0.00 ATOM 943 N LYS 121 43.123 24.490 46.457 1.00 0.00 ATOM 944 CA LYS 121 44.358 25.076 46.041 1.00 0.00 ATOM 945 CB LYS 121 44.661 24.822 44.558 1.00 0.00 ATOM 946 CG LYS 121 44.835 23.328 44.317 1.00 0.00 ATOM 947 CD LYS 121 43.518 22.558 44.436 1.00 0.00 ATOM 948 CE LYS 121 43.663 21.165 45.054 1.00 0.00 ATOM 949 NZ LYS 121 44.651 20.368 44.299 1.00 0.00 ATOM 950 O LYS 121 45.439 27.087 46.622 1.00 0.00 ATOM 951 C LYS 121 44.379 26.546 46.316 1.00 0.00 ATOM 952 N LYS 122 43.222 27.240 46.238 1.00 0.00 ATOM 953 CA LYS 122 43.234 28.660 46.467 1.00 0.00 ATOM 954 CB LYS 122 42.793 29.469 45.237 1.00 0.00 ATOM 955 CG LYS 122 43.869 29.577 44.153 1.00 0.00 ATOM 956 CD LYS 122 44.259 28.253 43.495 1.00 0.00 ATOM 957 CE LYS 122 45.332 28.429 42.417 1.00 0.00 ATOM 958 NZ LYS 122 46.437 29.268 42.938 1.00 0.00 ATOM 959 O LYS 122 41.286 28.429 47.815 1.00 0.00 ATOM 960 C LYS 122 42.347 29.023 47.620 1.00 0.00 ATOM 961 N GLU 123 42.757 30.012 48.416 1.00 0.00 ATOM 962 CA GLU 123 42.007 30.462 49.551 1.00 0.00 ATOM 963 CB GLU 123 42.866 31.266 50.543 1.00 0.00 ATOM 964 CG GLU 123 43.936 30.389 51.200 1.00 0.00 ATOM 965 CD GLU 123 44.714 31.223 52.203 1.00 0.00 ATOM 966 OE1 GLU 123 44.126 32.196 52.748 1.00 0.00 ATOM 967 OE2 GLU 123 45.908 30.897 52.447 1.00 0.00 ATOM 968 O GLU 123 39.763 31.147 49.822 1.00 0.00 ATOM 969 C GLU 123 40.798 31.274 49.171 1.00 0.00 ATOM 970 N PRO 124 40.848 32.106 48.167 1.00 0.00 ATOM 971 CA PRO 124 39.703 32.937 47.899 1.00 0.00 ATOM 972 CB PRO 124 40.176 33.967 46.874 1.00 0.00 ATOM 973 CG PRO 124 41.673 34.126 47.202 1.00 0.00 ATOM 974 CD PRO 124 42.090 32.769 47.788 1.00 0.00 ATOM 975 O PRO 124 37.335 32.576 47.757 1.00 0.00 ATOM 976 C PRO 124 38.461 32.153 47.491 1.00 0.00 ATOM 977 N THR 125 38.666 31.008 46.846 1.00 0.00 ATOM 978 CA THR 125 37.558 30.186 46.416 1.00 0.00 ATOM 979 CB THR 125 37.970 29.163 45.396 1.00 0.00 ATOM 980 CG2 THR 125 38.563 29.909 44.189 1.00 0.00 ATOM 981 OG1 THR 125 38.923 28.261 45.941 1.00 0.00 ATOM 982 O THR 125 35.798 28.903 47.347 1.00 0.00 ATOM 983 C THR 125 36.896 29.437 47.510 1.00 0.00 ATOM 984 N GLN 126 37.558 29.384 48.661 1.00 0.00 ATOM 985 CA GLN 126 37.013 28.681 49.816 1.00 0.00 ATOM 986 CB GLN 126 38.025 27.698 50.439 1.00 0.00 ATOM 987 CG GLN 126 37.477 26.739 51.498 1.00 0.00 ATOM 988 CD GLN 126 38.603 25.763 51.830 1.00 0.00 ATOM 989 OE1 GLN 126 39.661 25.777 51.202 1.00 0.00 ATOM 990 NE2 GLN 126 38.368 24.883 52.840 1.00 0.00 ATOM 991 O GLN 126 37.163 30.708 51.049 1.00 0.00 ATOM 992 C GLN 126 36.564 29.650 50.860 1.00 0.00 ATOM 993 N ASP 127 35.477 29.337 51.550 1.00 0.00 ATOM 994 CA ASP 127 34.986 30.215 52.612 1.00 0.00 ATOM 995 CB ASP 127 33.849 29.549 53.389 1.00 0.00 ATOM 996 CG ASP 127 33.297 30.434 54.493 1.00 0.00 ATOM 997 OD1 ASP 127 32.491 31.339 54.185 1.00 0.00 ATOM 998 OD2 ASP 127 33.612 30.300 55.698 1.00 0.00 ATOM 999 O ASP 127 36.211 31.722 54.014 1.00 0.00 ATOM 1000 C ASP 127 36.084 30.588 53.595 1.00 0.00 ATOM 1001 N LYS 128 36.882 29.602 54.023 1.00 0.00 ATOM 1002 CA LYS 128 37.947 29.835 54.999 1.00 0.00 ATOM 1003 CB LYS 128 38.071 28.635 55.945 1.00 0.00 ATOM 1004 CG LYS 128 36.889 28.452 56.887 1.00 0.00 ATOM 1005 CD LYS 128 36.512 29.756 57.577 1.00 0.00 ATOM 1006 CE LYS 128 35.317 29.554 58.491 1.00 0.00 ATOM 1007 NZ LYS 128 35.321 30.559 59.584 1.00 0.00 ATOM 1008 O LYS 128 40.197 30.603 55.006 1.00 0.00 ATOM 1009 C LYS 128 39.292 30.079 54.325 1.00 0.00 TER END