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 2 Mon Jul 21 13:26:50 2008 MODEL 2 PARENT N/A ATOM 1 N MET 1 17.384 24.268 39.357 1.00 0.00 ATOM 2 CA MET 1 18.192 25.520 39.388 1.00 0.00 ATOM 3 CB MET 1 19.578 25.278 39.987 1.00 0.00 ATOM 4 CG MET 1 20.664 26.306 39.518 1.00 0.00 ATOM 5 SD MET 1 22.507 26.021 40.148 1.00 0.00 ATOM 6 CE MET 1 23.185 24.981 38.687 1.00 0.00 ATOM 7 O MET 1 18.713 25.227 37.059 1.00 0.00 ATOM 8 C MET 1 18.505 26.024 37.977 1.00 0.00 ATOM 9 N MET 2 18.593 27.346 37.827 1.00 0.00 ATOM 10 CA MET 2 18.913 27.936 36.536 1.00 0.00 ATOM 11 CB MET 2 17.685 27.954 35.633 1.00 0.00 ATOM 12 CG MET 2 17.192 26.606 35.174 1.00 0.00 ATOM 13 SD MET 2 15.592 26.902 34.135 1.00 0.00 ATOM 14 CE MET 2 16.303 28.224 32.932 1.00 0.00 ATOM 15 O MET 2 18.839 30.137 37.488 1.00 0.00 ATOM 16 C MET 2 19.392 29.377 36.693 1.00 0.00 ATOM 17 N ARG 3 20.390 29.761 35.904 1.00 0.00 ATOM 18 CA ARG 3 20.907 31.083 35.973 1.00 0.00 ATOM 19 CB ARG 3 22.382 31.093 35.567 1.00 0.00 ATOM 20 CG ARG 3 23.288 30.310 36.505 1.00 0.00 ATOM 21 CD ARG 3 23.498 31.052 37.815 1.00 0.00 ATOM 22 NE ARG 3 24.363 30.310 38.730 1.00 0.00 ATOM 23 CZ ARG 3 24.738 30.751 39.925 1.00 0.00 ATOM 24 NH1 ARG 3 25.527 30.009 40.689 1.00 0.00 ATOM 25 NH2 ARG 3 24.323 31.935 40.357 1.00 0.00 ATOM 26 O ARG 3 20.123 31.678 33.784 1.00 0.00 ATOM 27 C ARG 3 20.219 32.002 34.968 1.00 0.00 ATOM 28 N LEU 4 19.742 33.149 35.443 1.00 0.00 ATOM 29 CA LEU 4 19.063 34.112 34.568 1.00 0.00 ATOM 30 CB LEU 4 18.604 35.338 35.360 1.00 0.00 ATOM 31 CG LEU 4 17.603 35.082 36.487 1.00 0.00 ATOM 32 CD1 LEU 4 17.309 36.364 37.249 1.00 0.00 ATOM 33 CD2 LEU 4 16.291 34.548 35.931 1.00 0.00 ATOM 34 O LEU 4 19.287 35.003 32.352 1.00 0.00 ATOM 35 C LEU 4 19.858 34.658 33.387 1.00 0.00 ATOM 36 N ALA 5 21.176 34.735 33.544 1.00 0.00 ATOM 37 CA ALA 5 22.048 35.245 32.470 1.00 0.00 ATOM 38 CB ALA 5 23.370 35.333 33.058 1.00 0.00 ATOM 39 O ALA 5 22.610 33.179 31.380 1.00 0.00 ATOM 40 C ALA 5 22.173 34.324 31.256 1.00 0.00 ATOM 41 N ASN 6 21.791 34.826 30.086 1.00 0.00 ATOM 42 CA ASN 6 21.870 34.037 28.862 1.00 0.00 ATOM 43 CB ASN 6 20.643 33.156 28.630 1.00 0.00 ATOM 44 CG ASN 6 20.497 32.071 29.678 1.00 0.00 ATOM 45 ND2 ASN 6 19.501 32.213 30.546 1.00 0.00 ATOM 46 OD1 ASN 6 21.274 31.114 29.708 1.00 0.00 ATOM 47 O ASN 6 21.564 34.801 26.600 1.00 0.00 ATOM 48 C ASN 6 22.113 34.994 27.686 1.00 0.00 ATOM 49 N GLY 7 22.896 36.041 27.920 1.00 0.00 ATOM 50 CA GLY 7 23.194 37.012 26.873 1.00 0.00 ATOM 51 O GLY 7 25.463 36.298 26.569 1.00 0.00 ATOM 52 C GLY 7 24.386 36.566 26.035 1.00 0.00 ATOM 53 N ILE 8 24.208 36.538 24.719 1.00 0.00 ATOM 54 CA ILE 8 25.281 36.130 23.819 1.00 0.00 ATOM 55 CB ILE 8 25.048 34.795 23.088 1.00 0.00 ATOM 56 CG1 ILE 8 24.637 33.642 23.986 1.00 0.00 ATOM 57 CG2 ILE 8 26.422 34.397 22.550 1.00 0.00 ATOM 58 CD1 ILE 8 24.219 32.395 23.188 1.00 0.00 ATOM 59 O ILE 8 24.639 37.739 22.179 1.00 0.00 ATOM 60 C ILE 8 25.555 37.260 22.836 1.00 0.00 ATOM 61 N VAL 9 26.814 37.695 22.757 1.00 0.00 ATOM 62 CA VAL 9 27.285 38.511 21.652 1.00 0.00 ATOM 63 CB VAL 9 28.454 39.430 22.077 1.00 0.00 ATOM 64 CG1 VAL 9 29.026 40.241 20.902 1.00 0.00 ATOM 65 CG2 VAL 9 28.018 40.420 23.143 1.00 0.00 ATOM 66 O VAL 9 28.686 36.769 20.861 1.00 0.00 ATOM 67 C VAL 9 27.826 37.561 20.582 1.00 0.00 ATOM 68 N LEU 10 27.275 37.644 19.391 1.00 0.00 ATOM 69 CA LEU 10 27.559 36.695 18.329 1.00 0.00 ATOM 70 CB LEU 10 26.351 35.998 17.682 1.00 0.00 ATOM 71 CG LEU 10 25.493 35.048 18.525 1.00 0.00 ATOM 72 CD1 LEU 10 26.128 33.786 19.009 1.00 0.00 ATOM 73 CD2 LEU 10 25.119 35.714 19.824 1.00 0.00 ATOM 74 O LEU 10 27.863 38.492 16.768 1.00 0.00 ATOM 75 C LEU 10 28.240 37.383 17.150 1.00 0.00 ATOM 76 N ASP 11 29.241 36.726 16.574 1.00 0.00 ATOM 77 CA ASP 11 29.925 37.280 15.480 1.00 0.00 ATOM 78 CB ASP 11 31.369 37.412 15.969 1.00 0.00 ATOM 79 CG ASP 11 32.080 36.065 16.154 1.00 0.00 ATOM 80 OD1 ASP 11 31.402 35.025 16.226 1.00 0.00 ATOM 81 OD2 ASP 11 33.312 36.119 16.146 1.00 0.00 ATOM 82 O ASP 11 28.956 35.405 14.306 1.00 0.00 ATOM 83 C ASP 11 29.854 36.249 14.330 1.00 0.00 ATOM 84 N LYS 12 30.794 36.327 13.395 1.00 0.00 ATOM 85 CA LYS 12 30.819 35.401 12.268 1.00 0.00 ATOM 86 CB LYS 12 31.261 36.120 10.984 1.00 0.00 ATOM 87 CG LYS 12 30.294 37.211 10.560 1.00 0.00 ATOM 88 CD LYS 12 30.767 37.931 9.305 1.00 0.00 ATOM 89 CE LYS 12 29.760 38.999 8.947 1.00 0.00 ATOM 90 NZ LYS 12 30.148 39.718 7.732 1.00 0.00 ATOM 91 O LYS 12 31.972 33.375 11.560 1.00 0.00 ATOM 92 C LYS 12 31.738 34.141 12.495 1.00 0.00 ATOM 93 N ASP 13 32.234 33.963 13.715 1.00 0.00 ATOM 94 CA ASP 13 33.093 32.824 14.022 1.00 0.00 ATOM 95 CB ASP 13 34.412 33.378 14.562 1.00 0.00 ATOM 96 CG ASP 13 35.114 34.289 13.562 1.00 0.00 ATOM 97 OD1 ASP 13 35.198 33.917 12.367 1.00 0.00 ATOM 98 OD2 ASP 13 35.450 35.432 13.953 1.00 0.00 ATOM 99 O ASP 13 33.294 31.032 15.602 1.00 0.00 ATOM 100 C ASP 13 32.539 31.821 15.029 1.00 0.00 ATOM 101 N THR 14 31.260 31.955 15.361 1.00 0.00 ATOM 102 CA THR 14 30.614 31.041 16.323 1.00 0.00 ATOM 103 CB THR 14 29.136 31.316 16.456 1.00 0.00 ATOM 104 CG2 THR 14 28.352 30.412 17.417 1.00 0.00 ATOM 105 OG1 THR 14 29.059 32.638 16.931 1.00 0.00 ATOM 106 O THR 14 30.649 28.683 16.760 1.00 0.00 ATOM 107 C THR 14 30.731 29.576 15.916 1.00 0.00 ATOM 108 N THR 15 30.923 29.333 14.623 1.00 0.00 ATOM 109 CA THR 15 31.047 27.996 14.142 1.00 0.00 ATOM 110 CB THR 15 31.137 28.018 12.607 1.00 0.00 ATOM 111 CG2 THR 15 31.031 26.605 12.054 1.00 0.00 ATOM 112 OG1 THR 15 30.064 28.804 12.069 1.00 0.00 ATOM 113 O THR 15 33.367 27.472 14.432 1.00 0.00 ATOM 114 C THR 15 32.203 27.217 14.746 1.00 0.00 ATOM 115 N PHE 16 31.884 26.260 15.612 1.00 0.00 ATOM 116 CA PHE 16 32.911 25.447 16.251 1.00 0.00 ATOM 117 CB PHE 16 33.646 24.492 15.290 1.00 0.00 ATOM 118 CG PHE 16 32.704 23.419 14.705 1.00 0.00 ATOM 119 CD1 PHE 16 32.021 23.662 13.514 1.00 0.00 ATOM 120 CD2 PHE 16 32.421 22.244 15.384 1.00 0.00 ATOM 121 CE1 PHE 16 31.078 22.756 13.033 1.00 0.00 ATOM 122 CE2 PHE 16 31.461 21.353 14.909 1.00 0.00 ATOM 123 CZ PHE 16 30.779 21.603 13.731 1.00 0.00 ATOM 124 O PHE 16 34.656 27.162 16.649 1.00 0.00 ATOM 125 C PHE 16 33.821 26.374 17.088 1.00 0.00 ATOM 126 N GLY 17 33.514 26.310 18.367 1.00 0.00 ATOM 127 CA GLY 17 34.163 27.134 19.388 1.00 0.00 ATOM 128 O GLY 17 32.374 26.324 20.765 1.00 0.00 ATOM 129 C GLY 17 33.226 27.194 20.590 1.00 0.00 ATOM 130 N GLU 18 33.385 28.224 21.415 1.00 0.00 ATOM 131 CA GLU 18 32.560 28.371 22.563 1.00 0.00 ATOM 132 CB GLU 18 33.404 28.435 23.830 1.00 0.00 ATOM 133 CG GLU 18 34.420 27.304 23.884 1.00 0.00 ATOM 134 CD GLU 18 35.622 27.814 24.635 1.00 0.00 ATOM 135 OE1 GLU 18 36.318 28.659 24.011 1.00 0.00 ATOM 136 OE2 GLU 18 35.734 27.355 25.783 1.00 0.00 ATOM 137 O GLU 18 32.241 30.669 22.150 1.00 0.00 ATOM 138 C GLU 18 31.748 29.588 22.475 1.00 0.00 ATOM 139 N LEU 19 30.459 29.444 22.767 1.00 0.00 ATOM 140 CA LEU 19 29.541 30.577 22.721 1.00 0.00 ATOM 141 CB LEU 19 28.086 30.189 22.511 1.00 0.00 ATOM 142 CG LEU 19 27.703 30.541 21.095 1.00 0.00 ATOM 143 CD1 LEU 19 26.213 30.275 20.955 1.00 0.00 ATOM 144 CD2 LEU 19 28.051 32.001 20.818 1.00 0.00 ATOM 145 O LEU 19 29.290 30.549 25.069 1.00 0.00 ATOM 146 C LEU 19 29.595 31.209 24.084 1.00 0.00 ATOM 147 N LYS 20 30.273 32.340 24.133 1.00 0.00 ATOM 148 CA LYS 20 30.424 33.042 25.417 1.00 0.00 ATOM 149 CB LYS 20 31.624 33.972 25.343 1.00 0.00 ATOM 150 CG LYS 20 32.914 33.204 25.085 1.00 0.00 ATOM 151 CD LYS 20 34.041 34.198 24.999 1.00 0.00 ATOM 152 CE LYS 20 35.352 33.462 24.794 1.00 0.00 ATOM 153 NZ LYS 20 36.464 34.401 24.676 1.00 0.00 ATOM 154 O LYS 20 28.672 34.620 25.042 1.00 0.00 ATOM 155 C LYS 20 29.185 33.807 25.812 1.00 0.00 ATOM 156 N PHE 21 28.694 33.550 27.021 1.00 0.00 ATOM 157 CA PHE 21 27.499 34.231 27.511 1.00 0.00 ATOM 158 CB PHE 21 26.614 33.350 28.387 1.00 0.00 ATOM 159 CG PHE 21 26.028 32.177 27.623 1.00 0.00 ATOM 160 CD1 PHE 21 26.683 30.963 27.552 1.00 0.00 ATOM 161 CD2 PHE 21 24.799 32.327 27.024 1.00 0.00 ATOM 162 CE1 PHE 21 26.086 29.914 26.894 1.00 0.00 ATOM 163 CE2 PHE 21 24.238 31.260 26.357 1.00 0.00 ATOM 164 CZ PHE 21 24.867 30.053 26.276 1.00 0.00 ATOM 165 O PHE 21 28.641 35.203 29.383 1.00 0.00 ATOM 166 C PHE 21 28.118 35.390 28.285 1.00 0.00 ATOM 167 N SER 22 28.058 36.587 27.708 1.00 0.00 ATOM 168 CA SER 22 28.616 37.769 28.360 1.00 0.00 ATOM 169 CB SER 22 28.877 38.882 27.349 1.00 0.00 ATOM 170 OG SER 22 27.724 39.244 26.611 1.00 0.00 ATOM 171 O SER 22 28.053 39.388 30.038 1.00 0.00 ATOM 172 C SER 22 27.669 38.444 29.345 1.00 0.00 ATOM 173 N ALA 23 26.432 37.961 29.406 1.00 0.00 ATOM 174 CA ALA 23 25.411 38.537 30.336 1.00 0.00 ATOM 175 CB ALA 23 24.339 39.379 29.673 1.00 0.00 ATOM 176 O ALA 23 23.728 37.764 31.875 1.00 0.00 ATOM 177 C ALA 23 24.926 37.794 31.590 1.00 0.00 ATOM 178 N LEU 24 25.857 37.200 32.331 1.00 0.00 ATOM 179 CA LEU 24 25.507 36.469 33.543 1.00 0.00 ATOM 180 CB LEU 24 26.289 35.270 34.134 1.00 0.00 ATOM 181 CG LEU 24 26.141 33.972 33.294 1.00 0.00 ATOM 182 CD1 LEU 24 27.548 33.497 33.231 1.00 0.00 ATOM 183 CD2 LEU 24 25.392 32.768 33.868 1.00 0.00 ATOM 184 O LEU 24 26.025 38.261 35.102 1.00 0.00 ATOM 185 C LEU 24 25.147 37.532 34.640 1.00 0.00 ATOM 186 N ARG 25 23.877 37.600 35.023 1.00 0.00 ATOM 187 CA ARG 25 23.444 38.554 36.039 1.00 0.00 ATOM 188 CB ARG 25 21.860 38.499 36.182 1.00 0.00 ATOM 189 CG ARG 25 21.094 38.862 34.835 1.00 0.00 ATOM 190 CD ARG 25 19.507 38.666 35.076 1.00 0.00 ATOM 191 NE ARG 25 18.824 38.931 33.819 1.00 0.00 ATOM 192 CZ ARG 25 18.632 40.161 33.348 1.00 0.00 ATOM 193 NH1 ARG 25 19.048 41.213 34.068 1.00 0.00 ATOM 194 NH2 ARG 25 18.086 40.333 32.126 1.00 0.00 ATOM 195 O ARG 25 24.265 39.312 38.161 1.00 0.00 ATOM 196 C ARG 25 24.219 38.394 37.342 1.00 0.00 ATOM 197 N ARG 26 24.826 37.226 37.533 1.00 0.00 ATOM 198 CA ARG 26 25.604 36.959 38.752 1.00 0.00 ATOM 199 CB ARG 26 24.713 36.500 39.918 1.00 0.00 ATOM 200 CG ARG 26 24.022 35.157 39.671 1.00 0.00 ATOM 201 CD ARG 26 23.115 34.869 40.856 1.00 0.00 ATOM 202 NE ARG 26 22.438 33.572 40.648 1.00 0.00 ATOM 203 CZ ARG 26 21.507 33.088 41.449 1.00 0.00 ATOM 204 NH1 ARG 26 20.953 31.926 41.225 1.00 0.00 ATOM 205 NH2 ARG 26 21.028 33.777 42.439 1.00 0.00 ATOM 206 O ARG 26 26.475 35.134 37.475 1.00 0.00 ATOM 207 C ARG 26 26.617 35.874 38.448 1.00 0.00 ATOM 208 N GLU 27 27.646 35.775 39.285 1.00 0.00 ATOM 209 CA GLU 27 28.683 34.769 39.092 1.00 0.00 ATOM 210 CB GLU 27 29.582 34.734 40.286 1.00 0.00 ATOM 211 CG GLU 27 30.595 33.597 40.220 1.00 0.00 ATOM 212 CD GLU 27 31.547 33.592 41.409 1.00 0.00 ATOM 213 OE1 GLU 27 31.837 34.681 41.975 1.00 0.00 ATOM 214 OE2 GLU 27 31.977 32.461 41.722 1.00 0.00 ATOM 215 O GLU 27 27.171 33.071 39.857 1.00 0.00 ATOM 216 C GLU 27 28.102 33.359 39.103 1.00 0.00 ATOM 217 N VAL 28 28.650 32.484 38.267 1.00 0.00 ATOM 218 CA VAL 28 28.179 31.143 38.204 1.00 0.00 ATOM 219 CB VAL 28 28.125 30.704 36.749 1.00 0.00 ATOM 220 CG1 VAL 28 27.587 29.297 36.651 1.00 0.00 ATOM 221 CG2 VAL 28 27.067 31.521 36.070 1.00 0.00 ATOM 222 O VAL 28 30.332 30.263 38.680 1.00 0.00 ATOM 223 C VAL 28 29.134 30.290 38.967 1.00 0.00 ATOM 224 N ARG 29 28.614 29.573 39.958 1.00 0.00 ATOM 225 CA ARG 29 29.446 28.697 40.775 1.00 0.00 ATOM 226 CB ARG 29 29.170 28.887 42.271 1.00 0.00 ATOM 227 CG ARG 29 29.603 30.265 42.758 1.00 0.00 ATOM 228 CD ARG 29 29.530 30.307 44.275 1.00 0.00 ATOM 229 NE ARG 29 29.729 31.652 44.825 1.00 0.00 ATOM 230 CZ ARG 29 29.573 31.958 46.107 1.00 0.00 ATOM 231 NH1 ARG 29 29.907 33.165 46.534 1.00 0.00 ATOM 232 NH2 ARG 29 29.087 31.082 46.984 1.00 0.00 ATOM 233 O ARG 29 28.143 26.673 40.746 1.00 0.00 ATOM 234 C ARG 29 29.140 27.260 40.325 1.00 0.00 ATOM 235 N ILE 30 29.998 26.706 39.474 1.00 0.00 ATOM 236 CA ILE 30 29.804 25.346 38.984 1.00 0.00 ATOM 237 CB ILE 30 29.473 25.331 37.472 1.00 0.00 ATOM 238 CG1 ILE 30 28.145 26.024 37.172 1.00 0.00 ATOM 239 CG2 ILE 30 29.414 23.903 36.924 1.00 0.00 ATOM 240 CD1 ILE 30 27.850 26.159 35.670 1.00 0.00 ATOM 241 O ILE 30 32.154 24.917 39.209 1.00 0.00 ATOM 242 C ILE 30 31.012 24.461 39.276 1.00 0.00 ATOM 243 N GLN 31 30.758 23.197 39.600 1.00 0.00 ATOM 244 CA GLN 31 31.860 22.227 39.908 1.00 0.00 ATOM 245 CB GLN 31 32.168 22.156 41.404 1.00 0.00 ATOM 246 CG GLN 31 31.013 21.883 42.293 1.00 0.00 ATOM 247 CD GLN 31 31.099 22.683 43.563 1.00 0.00 ATOM 248 OE1 GLN 31 31.598 23.798 43.668 1.00 0.00 ATOM 249 NE2 GLN 31 30.743 22.041 44.691 1.00 0.00 ATOM 250 O GLN 31 30.177 20.597 39.342 1.00 0.00 ATOM 251 C GLN 31 31.358 20.798 39.630 1.00 0.00 ATOM 252 N ASN 32 32.255 19.822 39.720 1.00 0.00 ATOM 253 CA ASN 32 31.884 18.431 39.479 1.00 0.00 ATOM 254 CB ASN 32 33.186 17.633 39.355 1.00 0.00 ATOM 255 CG ASN 32 32.826 16.207 38.970 1.00 0.00 ATOM 256 ND2 ASN 32 33.186 15.305 39.839 1.00 0.00 ATOM 257 OD1 ASN 32 31.964 15.988 38.139 1.00 0.00 ATOM 258 O ASN 32 31.088 18.570 41.741 1.00 0.00 ATOM 259 C ASN 32 31.295 17.847 40.767 1.00 0.00 ATOM 260 N GLU 33 30.919 16.572 40.726 1.00 0.00 ATOM 261 CA GLU 33 30.347 15.915 41.895 1.00 0.00 ATOM 262 CB GLU 33 29.916 14.479 41.491 1.00 0.00 ATOM 263 CG GLU 33 28.793 14.255 40.554 1.00 0.00 ATOM 264 CD GLU 33 28.534 12.720 40.421 1.00 0.00 ATOM 265 OE1 GLU 33 28.096 12.123 41.400 1.00 0.00 ATOM 266 OE2 GLU 33 28.927 12.133 39.406 1.00 0.00 ATOM 267 O GLU 33 30.747 15.964 44.261 1.00 0.00 ATOM 268 C GLU 33 31.235 16.019 43.131 1.00 0.00 ATOM 269 N ASP 34 32.543 16.113 42.915 1.00 0.00 ATOM 270 CA ASP 34 33.493 16.222 44.028 1.00 0.00 ATOM 271 CB ASP 34 34.550 15.074 43.896 1.00 0.00 ATOM 272 CG ASP 34 33.921 13.712 43.694 1.00 0.00 ATOM 273 OD1 ASP 34 33.110 13.300 44.550 1.00 0.00 ATOM 274 OD2 ASP 34 34.240 13.053 42.681 1.00 0.00 ATOM 275 O ASP 34 34.716 18.055 45.063 1.00 0.00 ATOM 276 C ASP 34 33.799 17.740 44.303 1.00 0.00 ATOM 277 N GLY 35 33.034 18.636 43.687 1.00 0.00 ATOM 278 CA GLY 35 33.239 20.066 43.881 1.00 0.00 ATOM 279 O GLY 35 35.026 21.678 43.850 1.00 0.00 ATOM 280 C GLY 35 34.476 20.739 43.272 1.00 0.00 ATOM 281 N SER 36 34.907 20.258 42.110 1.00 0.00 ATOM 282 CA SER 36 36.071 20.825 41.442 1.00 0.00 ATOM 283 CB SER 36 37.429 20.307 41.899 1.00 0.00 ATOM 284 OG SER 36 38.453 20.965 41.142 1.00 0.00 ATOM 285 O SER 36 35.730 19.361 39.602 1.00 0.00 ATOM 286 C SER 36 35.977 20.508 39.970 1.00 0.00 ATOM 287 N VAL 37 36.188 21.512 39.106 1.00 0.00 ATOM 288 CA VAL 37 36.184 21.311 37.666 1.00 0.00 ATOM 289 CB VAL 37 36.570 22.775 36.957 1.00 0.00 ATOM 290 CG1 VAL 37 36.254 22.905 35.493 1.00 0.00 ATOM 291 CG2 VAL 37 36.060 23.983 37.701 1.00 0.00 ATOM 292 O VAL 37 37.545 20.042 36.031 1.00 0.00 ATOM 293 C VAL 37 37.315 20.356 37.195 1.00 0.00 ATOM 294 N SER 38 38.248 20.041 38.059 1.00 0.00 ATOM 295 CA SER 38 39.346 19.135 37.655 1.00 0.00 ATOM 296 CB SER 38 40.667 19.616 38.204 1.00 0.00 ATOM 297 OG SER 38 40.671 19.647 39.623 1.00 0.00 ATOM 298 O SER 38 40.051 16.851 37.766 1.00 0.00 ATOM 299 C SER 38 39.232 17.686 38.155 1.00 0.00 ATOM 300 N ASP 39 38.313 17.431 38.994 1.00 0.00 ATOM 301 CA ASP 39 38.129 16.078 39.567 1.00 0.00 ATOM 302 CB ASP 39 38.017 16.185 41.093 1.00 0.00 ATOM 303 CG ASP 39 38.073 14.814 41.777 1.00 0.00 ATOM 304 OD1 ASP 39 37.972 13.804 41.044 1.00 0.00 ATOM 305 OD2 ASP 39 38.355 14.836 43.001 1.00 0.00 ATOM 306 O ASP 39 35.751 15.960 39.279 1.00 0.00 ATOM 307 C ASP 39 36.854 15.550 38.917 1.00 0.00 ATOM 308 N GLU 40 37.009 14.640 37.961 1.00 0.00 ATOM 309 CA GLU 40 35.827 14.033 37.241 1.00 0.00 ATOM 310 CB GLU 40 35.067 12.856 37.865 1.00 0.00 ATOM 311 CG GLU 40 35.794 11.525 37.590 1.00 0.00 ATOM 312 CD GLU 40 35.034 10.274 38.032 1.00 0.00 ATOM 313 OE1 GLU 40 35.422 9.167 37.590 1.00 0.00 ATOM 314 OE2 GLU 40 34.163 10.417 38.908 1.00 0.00 ATOM 315 O GLU 40 33.854 14.741 36.076 1.00 0.00 ATOM 316 C GLU 40 34.986 15.036 36.461 1.00 0.00 ATOM 317 N ILE 41 35.541 16.221 36.228 1.00 0.00 ATOM 318 CA ILE 41 34.829 17.257 35.491 1.00 0.00 ATOM 319 CB ILE 41 34.738 18.738 35.917 1.00 0.00 ATOM 320 CG1 ILE 41 33.274 18.959 36.241 1.00 0.00 ATOM 321 CG2 ILE 41 35.050 19.782 34.835 1.00 0.00 ATOM 322 CD1 ILE 41 32.806 20.392 36.541 1.00 0.00 ATOM 323 O ILE 41 36.566 16.830 33.862 1.00 0.00 ATOM 324 C ILE 41 35.392 17.085 34.099 1.00 0.00 ATOM 325 N LYS 42 34.518 17.478 33.199 1.00 0.00 ATOM 326 CA LYS 42 35.050 17.713 31.868 1.00 0.00 ATOM 327 CB LYS 42 34.149 17.080 30.821 1.00 0.00 ATOM 328 CG LYS 42 34.043 15.678 30.881 1.00 0.00 ATOM 329 CD LYS 42 33.306 15.118 29.678 1.00 0.00 ATOM 330 CE LYS 42 33.136 13.610 29.786 1.00 0.00 ATOM 331 NZ LYS 42 32.420 13.045 28.611 1.00 0.00 ATOM 332 O LYS 42 36.205 19.508 31.083 1.00 0.00 ATOM 333 C LYS 42 35.160 19.213 31.669 1.00 0.00 ATOM 334 N GLU 43 34.013 19.825 32.180 1.00 0.00 ATOM 335 CA GLU 43 32.623 19.983 31.647 1.00 0.00 ATOM 336 CB GLU 43 32.440 19.780 30.149 1.00 0.00 ATOM 337 CG GLU 43 33.315 20.778 29.486 1.00 0.00 ATOM 338 CD GLU 43 33.936 20.341 28.174 1.00 0.00 ATOM 339 OE1 GLU 43 33.867 19.146 27.783 1.00 0.00 ATOM 340 OE2 GLU 43 34.451 21.312 27.580 1.00 0.00 ATOM 341 O GLU 43 31.364 18.459 32.940 1.00 0.00 ATOM 342 C GLU 43 31.375 19.476 32.245 1.00 0.00 ATOM 343 N ARG 44 30.280 20.187 31.993 1.00 0.00 ATOM 344 CA ARG 44 28.983 19.796 32.532 1.00 0.00 ATOM 345 CB ARG 44 28.700 20.896 33.540 1.00 0.00 ATOM 346 CG ARG 44 29.486 20.837 34.843 1.00 0.00 ATOM 347 CD ARG 44 29.122 19.635 35.731 1.00 0.00 ATOM 348 NE ARG 44 27.731 19.738 36.211 1.00 0.00 ATOM 349 CZ ARG 44 27.271 20.535 37.188 1.00 0.00 ATOM 350 NH1 ARG 44 25.992 20.580 37.494 1.00 0.00 ATOM 351 NH2 ARG 44 28.061 21.320 37.879 1.00 0.00 ATOM 352 O ARG 44 27.816 20.804 30.695 1.00 0.00 ATOM 353 C ARG 44 28.008 19.786 31.361 1.00 0.00 ATOM 354 N THR 45 27.392 18.634 31.110 1.00 0.00 ATOM 355 CA THR 45 26.431 18.507 30.010 1.00 0.00 ATOM 356 CB THR 45 26.310 17.033 29.645 1.00 0.00 ATOM 357 CG2 THR 45 25.424 16.875 28.426 1.00 0.00 ATOM 358 OG1 THR 45 27.617 16.520 29.350 1.00 0.00 ATOM 359 O THR 45 24.469 18.402 31.397 1.00 0.00 ATOM 360 C THR 45 24.959 18.788 30.334 1.00 0.00 ATOM 361 N TYR 46 24.263 19.456 29.421 1.00 0.00 ATOM 362 CA TYR 46 22.854 19.775 29.626 1.00 0.00 ATOM 363 CB TYR 46 22.866 21.201 30.122 1.00 0.00 ATOM 364 CG TYR 46 23.589 21.410 31.435 1.00 0.00 ATOM 365 CD1 TYR 46 24.823 22.019 31.340 1.00 0.00 ATOM 366 CD2 TYR 46 23.180 20.811 32.626 1.00 0.00 ATOM 367 CE1 TYR 46 25.670 22.036 32.426 1.00 0.00 ATOM 368 CE2 TYR 46 24.043 20.806 33.708 1.00 0.00 ATOM 369 CZ TYR 46 25.272 21.416 33.589 1.00 0.00 ATOM 370 OH TYR 46 26.059 21.556 34.675 1.00 0.00 ATOM 371 O TYR 46 22.662 19.711 27.218 1.00 0.00 ATOM 372 C TYR 46 22.139 20.017 28.296 1.00 0.00 ATOM 373 N ASP 47 20.882 20.679 28.381 1.00 0.00 ATOM 374 CA ASP 47 20.121 21.049 27.201 1.00 0.00 ATOM 375 CB ASP 47 18.648 20.860 27.631 1.00 0.00 ATOM 376 CG ASP 47 17.674 20.889 26.467 1.00 0.00 ATOM 377 OD1 ASP 47 18.183 20.920 25.329 1.00 0.00 ATOM 378 OD2 ASP 47 16.469 21.036 26.723 1.00 0.00 ATOM 379 O ASP 47 20.252 23.295 28.035 1.00 0.00 ATOM 380 C ASP 47 20.297 22.549 27.047 1.00 0.00 ATOM 381 N LEU 48 20.466 23.034 25.832 1.00 0.00 ATOM 382 CA LEU 48 20.498 24.432 25.440 1.00 0.00 ATOM 383 CB LEU 48 21.411 24.817 24.212 1.00 0.00 ATOM 384 CG LEU 48 21.632 26.274 23.680 1.00 0.00 ATOM 385 CD1 LEU 48 22.086 27.255 24.760 1.00 0.00 ATOM 386 CD2 LEU 48 22.644 26.295 22.514 1.00 0.00 ATOM 387 O LEU 48 18.634 24.052 23.985 1.00 0.00 ATOM 388 C LEU 48 19.109 24.742 24.891 1.00 0.00 ATOM 389 N LYS 49 18.504 25.819 25.377 1.00 0.00 ATOM 390 CA LYS 49 17.108 26.182 25.028 1.00 0.00 ATOM 391 CB LYS 49 16.285 26.758 26.175 1.00 0.00 ATOM 392 CG LYS 49 14.772 26.668 26.039 1.00 0.00 ATOM 393 CD LYS 49 14.157 27.042 27.383 1.00 0.00 ATOM 394 CE LYS 49 12.652 27.222 27.226 1.00 0.00 ATOM 395 NZ LYS 49 11.993 27.536 28.499 1.00 0.00 ATOM 396 O LYS 49 17.499 28.443 24.405 1.00 0.00 ATOM 397 C LYS 49 17.138 27.332 24.047 1.00 0.00 ATOM 398 N SER 50 16.663 27.030 22.862 1.00 0.00 ATOM 399 CA SER 50 16.409 28.092 21.883 1.00 0.00 ATOM 400 CB SER 50 17.435 28.068 20.800 1.00 0.00 ATOM 401 OG SER 50 17.294 28.979 19.716 1.00 0.00 ATOM 402 O SER 50 14.868 26.745 20.635 1.00 0.00 ATOM 403 C SER 50 15.087 27.804 21.229 1.00 0.00 ATOM 404 N LYS 51 14.184 28.702 21.521 1.00 0.00 ATOM 405 CA LYS 51 12.781 28.548 21.132 1.00 0.00 ATOM 406 CB LYS 51 12.585 28.414 19.605 1.00 0.00 ATOM 407 CG LYS 51 12.925 29.635 18.797 1.00 0.00 ATOM 408 CD LYS 51 12.674 29.330 17.335 1.00 0.00 ATOM 409 CE LYS 51 13.105 30.554 16.532 1.00 0.00 ATOM 410 NZ LYS 51 12.823 30.321 15.117 1.00 0.00 ATOM 411 O LYS 51 12.436 27.192 23.083 1.00 0.00 ATOM 412 C LYS 51 12.181 27.349 21.894 1.00 0.00 ATOM 413 N GLY 52 11.412 26.547 21.169 1.00 0.00 ATOM 414 CA GLY 52 10.835 25.271 21.630 1.00 0.00 ATOM 415 O GLY 52 11.425 22.961 21.898 1.00 0.00 ATOM 416 C GLY 52 11.765 24.070 21.486 1.00 0.00 ATOM 417 N GLN 53 12.938 24.295 20.903 1.00 0.00 ATOM 418 CA GLN 53 13.898 23.225 20.719 1.00 0.00 ATOM 419 CB GLN 53 14.821 23.545 19.536 1.00 0.00 ATOM 420 CG GLN 53 14.069 23.647 18.209 1.00 0.00 ATOM 421 CD GLN 53 13.423 22.320 17.806 1.00 0.00 ATOM 422 OE1 GLN 53 14.035 21.276 17.737 1.00 0.00 ATOM 423 NE2 GLN 53 12.189 22.362 17.404 1.00 0.00 ATOM 424 O GLN 53 15.281 24.095 22.492 1.00 0.00 ATOM 425 C GLN 53 14.789 23.105 21.951 1.00 0.00 ATOM 426 N GLY 54 15.031 21.843 22.296 1.00 0.00 ATOM 427 CA GLY 54 15.972 21.452 23.366 1.00 0.00 ATOM 428 O GLY 54 16.958 19.651 22.125 1.00 0.00 ATOM 429 C GLY 54 17.113 20.768 22.619 1.00 0.00 ATOM 430 N ARG 55 18.257 21.439 22.539 1.00 0.00 ATOM 431 CA ARG 55 19.421 20.879 21.848 1.00 0.00 ATOM 432 CB ARG 55 19.934 21.928 20.876 1.00 0.00 ATOM 433 CG ARG 55 18.898 22.218 19.786 1.00 0.00 ATOM 434 CD ARG 55 19.542 23.193 18.825 1.00 0.00 ATOM 435 NE ARG 55 18.526 23.725 17.913 1.00 0.00 ATOM 436 CZ ARG 55 18.466 23.263 16.679 1.00 0.00 ATOM 437 NH1 ARG 55 17.581 23.744 15.855 1.00 0.00 ATOM 438 NH2 ARG 55 19.175 22.236 16.280 1.00 0.00 ATOM 439 O ARG 55 20.858 21.286 23.757 1.00 0.00 ATOM 440 C ARG 55 20.519 20.487 22.884 1.00 0.00 ATOM 441 N MET 56 21.054 19.275 22.768 1.00 0.00 ATOM 442 CA MET 56 22.090 18.815 23.685 1.00 0.00 ATOM 443 CB MET 56 22.535 17.390 23.322 1.00 0.00 ATOM 444 CG MET 56 21.450 16.360 23.612 1.00 0.00 ATOM 445 SD MET 56 21.014 16.221 25.377 1.00 0.00 ATOM 446 CE MET 56 22.219 15.037 25.904 1.00 0.00 ATOM 447 O MET 56 23.836 19.858 22.458 1.00 0.00 ATOM 448 C MET 56 23.340 19.622 23.558 1.00 0.00 ATOM 449 N ILE 57 23.871 20.058 24.697 1.00 0.00 ATOM 450 CA ILE 57 25.093 20.853 24.704 1.00 0.00 ATOM 451 CB ILE 57 24.700 22.343 24.615 1.00 0.00 ATOM 452 CG1 ILE 57 23.737 22.648 25.771 1.00 0.00 ATOM 453 CG2 ILE 57 24.081 22.756 23.279 1.00 0.00 ATOM 454 CD1 ILE 57 23.630 24.102 26.178 1.00 0.00 ATOM 455 O ILE 57 25.430 19.747 26.836 1.00 0.00 ATOM 456 C ILE 57 25.813 20.599 26.028 1.00 0.00 ATOM 457 N GLN 58 26.734 21.503 26.330 1.00 0.00 ATOM 458 CA GLN 58 27.440 21.519 27.611 1.00 0.00 ATOM 459 CB GLN 58 28.570 20.477 27.625 1.00 0.00 ATOM 460 CG GLN 58 29.698 20.797 26.640 1.00 0.00 ATOM 461 CD GLN 58 30.811 19.781 26.726 1.00 0.00 ATOM 462 OE1 GLN 58 30.794 18.780 27.442 1.00 0.00 ATOM 463 NE2 GLN 58 31.779 20.005 25.873 1.00 0.00 ATOM 464 O GLN 58 28.508 23.593 27.052 1.00 0.00 ATOM 465 C GLN 58 28.119 22.841 27.948 1.00 0.00 ATOM 466 N VAL 59 28.264 23.124 29.239 1.00 0.00 ATOM 467 CA VAL 59 28.887 24.336 29.656 1.00 0.00 ATOM 468 CB VAL 59 28.281 24.907 30.950 1.00 0.00 ATOM 469 CG1 VAL 59 29.140 26.041 31.550 1.00 0.00 ATOM 470 CG2 VAL 59 26.844 25.402 30.713 1.00 0.00 ATOM 471 O VAL 59 30.507 22.818 30.564 1.00 0.00 ATOM 472 C VAL 59 30.307 23.870 29.956 1.00 0.00 ATOM 473 N SER 60 31.292 24.655 29.531 1.00 0.00 ATOM 474 CA SER 60 32.684 24.307 29.765 1.00 0.00 ATOM 475 CB SER 60 33.346 24.020 28.429 1.00 0.00 ATOM 476 OG SER 60 33.079 25.012 27.458 1.00 0.00 ATOM 477 O SER 60 33.459 26.551 30.038 1.00 0.00 ATOM 478 C SER 60 33.474 25.393 30.458 1.00 0.00 ATOM 479 N ILE 61 34.172 25.024 31.527 1.00 0.00 ATOM 480 CA ILE 61 34.974 25.985 32.276 1.00 0.00 ATOM 481 CB ILE 61 34.264 26.423 33.599 1.00 0.00 ATOM 482 CG1 ILE 61 34.290 25.269 34.697 1.00 0.00 ATOM 483 CG2 ILE 61 32.815 26.945 33.256 1.00 0.00 ATOM 484 CD1 ILE 61 33.454 25.530 35.977 1.00 0.00 ATOM 485 O ILE 61 36.439 24.142 32.638 1.00 0.00 ATOM 486 C ILE 61 36.368 25.350 32.437 1.00 0.00 ATOM 487 N PRO 62 37.451 26.144 32.480 1.00 0.00 ATOM 488 CA PRO 62 38.770 25.593 32.803 1.00 0.00 ATOM 489 CB PRO 62 39.715 26.791 32.817 1.00 0.00 ATOM 490 CG PRO 62 39.065 27.756 31.827 1.00 0.00 ATOM 491 CD PRO 62 37.564 27.560 32.062 1.00 0.00 ATOM 492 O PRO 62 37.911 25.242 35.015 1.00 0.00 ATOM 493 C PRO 62 38.705 24.876 34.148 1.00 0.00 ATOM 494 N ALA 63 39.539 23.856 34.318 1.00 0.00 ATOM 495 CA ALA 63 39.569 23.090 35.577 1.00 0.00 ATOM 496 CB ALA 63 40.540 21.900 35.399 1.00 0.00 ATOM 497 O ALA 63 39.480 23.625 37.898 1.00 0.00 ATOM 498 C ALA 63 39.907 23.923 36.782 1.00 0.00 ATOM 499 N SER 64 40.681 24.983 36.565 1.00 0.00 ATOM 500 CA SER 64 41.074 25.867 37.656 1.00 0.00 ATOM 501 CB SER 64 42.588 25.774 37.817 1.00 0.00 ATOM 502 OG SER 64 42.943 24.528 38.402 1.00 0.00 ATOM 503 O SER 64 41.317 27.926 36.540 1.00 0.00 ATOM 504 C SER 64 40.691 27.248 37.355 1.00 0.00 ATOM 505 N VAL 65 39.633 27.708 38.016 1.00 0.00 ATOM 506 CA VAL 65 39.149 29.068 37.810 1.00 0.00 ATOM 507 CB VAL 65 37.719 29.143 37.281 1.00 0.00 ATOM 508 CG1 VAL 65 37.720 28.866 35.782 1.00 0.00 ATOM 509 CG2 VAL 65 36.798 28.184 38.033 1.00 0.00 ATOM 510 O VAL 65 38.319 29.236 40.037 1.00 0.00 ATOM 511 C VAL 65 39.017 29.741 39.178 1.00 0.00 ATOM 512 N PRO 66 39.697 30.818 39.317 1.00 0.00 ATOM 513 CA PRO 66 39.678 31.541 40.596 1.00 0.00 ATOM 514 CB PRO 66 40.991 32.301 40.574 1.00 0.00 ATOM 515 CG PRO 66 41.086 32.705 39.122 1.00 0.00 ATOM 516 CD PRO 66 40.666 31.434 38.384 1.00 0.00 ATOM 517 O PRO 66 38.351 33.037 41.923 1.00 0.00 ATOM 518 C PRO 66 38.390 32.271 40.959 1.00 0.00 ATOM 519 N LEU 67 37.334 32.032 40.186 1.00 0.00 ATOM 520 CA LEU 67 36.005 32.686 40.441 1.00 0.00 ATOM 521 CB LEU 67 34.976 31.773 39.462 1.00 0.00 ATOM 522 CG LEU 67 35.450 31.199 38.128 1.00 0.00 ATOM 523 CD1 LEU 67 34.397 30.249 37.594 1.00 0.00 ATOM 524 CD2 LEU 67 35.715 32.327 37.141 1.00 0.00 ATOM 525 O LEU 67 34.934 33.042 42.598 1.00 0.00 ATOM 526 C LEU 67 35.459 32.254 41.807 1.00 0.00 ATOM 527 N LYS 68 35.673 31.031 42.056 1.00 0.00 ATOM 528 CA LYS 68 35.241 30.551 43.379 1.00 0.00 ATOM 529 CB LYS 68 35.272 29.038 43.362 1.00 0.00 ATOM 530 CG LYS 68 34.319 28.527 42.303 1.00 0.00 ATOM 531 CD LYS 68 34.318 27.011 42.372 1.00 0.00 ATOM 532 CE LYS 68 33.425 26.539 41.256 1.00 0.00 ATOM 533 NZ LYS 68 32.021 26.853 41.538 1.00 0.00 ATOM 534 O LYS 68 35.694 31.570 45.502 1.00 0.00 ATOM 535 C LYS 68 36.161 31.089 44.469 1.00 0.00 ATOM 536 N GLU 69 37.467 31.008 44.238 1.00 0.00 ATOM 537 CA GLU 69 38.445 31.496 45.213 1.00 0.00 ATOM 538 CB GLU 69 39.870 31.255 44.793 1.00 0.00 ATOM 539 CG GLU 69 40.239 29.750 44.711 1.00 0.00 ATOM 540 CD GLU 69 40.296 29.012 46.072 1.00 0.00 ATOM 541 OE1 GLU 69 40.098 29.615 47.154 1.00 0.00 ATOM 542 OE2 GLU 69 40.539 27.788 46.051 1.00 0.00 ATOM 543 O GLU 69 38.191 33.398 46.689 1.00 0.00 ATOM 544 C GLU 69 38.321 33.013 45.525 1.00 0.00 ATOM 545 N PHE 70 38.361 33.846 44.491 1.00 0.00 ATOM 546 CA PHE 70 38.251 35.289 44.678 1.00 0.00 ATOM 547 CB PHE 70 39.150 35.839 43.560 1.00 0.00 ATOM 548 CG PHE 70 39.542 37.308 43.781 1.00 0.00 ATOM 549 CD1 PHE 70 40.201 37.685 44.940 1.00 0.00 ATOM 550 CD2 PHE 70 39.261 38.273 42.822 1.00 0.00 ATOM 551 CE1 PHE 70 40.588 39.006 45.144 1.00 0.00 ATOM 552 CE2 PHE 70 39.644 39.593 43.018 1.00 0.00 ATOM 553 CZ PHE 70 40.312 39.956 44.177 1.00 0.00 ATOM 554 O PHE 70 36.846 37.233 44.467 1.00 0.00 ATOM 555 C PHE 70 36.898 36.003 44.548 1.00 0.00 ATOM 556 N ASP 71 35.853 35.230 44.286 1.00 0.00 ATOM 557 CA ASP 71 34.520 35.749 43.913 1.00 0.00 ATOM 558 CB ASP 71 34.000 36.729 44.979 1.00 0.00 ATOM 559 CG ASP 71 32.627 37.269 44.680 1.00 0.00 ATOM 560 OD1 ASP 71 32.144 37.098 43.539 1.00 0.00 ATOM 561 OD2 ASP 71 32.027 37.880 45.590 1.00 0.00 ATOM 562 O ASP 71 35.030 37.533 42.387 1.00 0.00 ATOM 563 C ASP 71 34.750 36.347 42.527 1.00 0.00 ATOM 564 N TYR 72 34.603 35.530 41.496 1.00 0.00 ATOM 565 CA TYR 72 34.905 36.002 40.149 1.00 0.00 ATOM 566 CB TYR 72 36.057 35.133 39.518 1.00 0.00 ATOM 567 CG TYR 72 36.548 35.890 38.311 1.00 0.00 ATOM 568 CD1 TYR 72 37.224 37.061 38.596 1.00 0.00 ATOM 569 CD2 TYR 72 36.278 35.568 36.967 1.00 0.00 ATOM 570 CE1 TYR 72 37.644 37.882 37.558 1.00 0.00 ATOM 571 CE2 TYR 72 36.736 36.360 35.910 1.00 0.00 ATOM 572 CZ TYR 72 37.418 37.535 36.221 1.00 0.00 ATOM 573 OH TYR 72 37.885 38.361 35.224 1.00 0.00 ATOM 574 O TYR 72 33.434 36.914 38.954 1.00 0.00 ATOM 575 C TYR 72 33.851 35.791 38.931 1.00 0.00 ATOM 576 N ASN 73 33.478 34.899 38.096 1.00 0.00 ATOM 577 CA ASN 73 32.848 35.176 36.680 1.00 0.00 ATOM 578 CB ASN 73 33.574 34.610 35.383 1.00 0.00 ATOM 579 CG ASN 73 33.726 35.572 34.140 1.00 0.00 ATOM 580 ND2 ASN 73 34.723 35.480 33.270 1.00 0.00 ATOM 581 OD1 ASN 73 33.064 36.588 33.990 1.00 0.00 ATOM 582 O ASN 73 30.646 34.244 36.584 1.00 0.00 ATOM 583 C ASN 73 31.404 35.143 36.228 1.00 0.00 ATOM 584 N ALA 74 30.920 36.115 35.301 1.00 0.00 ATOM 585 CA ALA 74 29.591 36.147 34.700 1.00 0.00 ATOM 586 CB ALA 74 29.063 37.580 34.761 1.00 0.00 ATOM 587 O ALA 74 28.696 36.226 32.472 1.00 0.00 ATOM 588 C ALA 74 29.623 35.863 33.197 1.00 0.00 ATOM 589 N ARG 75 30.722 35.339 32.707 1.00 0.00 ATOM 590 CA ARG 75 30.882 35.002 31.294 1.00 0.00 ATOM 591 CB ARG 75 32.060 35.672 30.592 1.00 0.00 ATOM 592 CG ARG 75 32.092 35.272 29.112 1.00 0.00 ATOM 593 CD ARG 75 33.197 36.014 28.394 1.00 0.00 ATOM 594 NE ARG 75 34.510 35.578 28.893 1.00 0.00 ATOM 595 CZ ARG 75 35.659 36.087 28.465 1.00 0.00 ATOM 596 NH1 ARG 75 36.805 35.661 28.920 1.00 0.00 ATOM 597 NH2 ARG 75 35.719 37.098 27.651 1.00 0.00 ATOM 598 O ARG 75 32.111 33.066 31.824 1.00 0.00 ATOM 599 C ARG 75 31.181 33.535 31.221 1.00 0.00 ATOM 600 N VAL 76 30.319 32.809 30.508 1.00 0.00 ATOM 601 CA VAL 76 30.375 31.337 30.559 1.00 0.00 ATOM 602 CB VAL 76 29.206 30.552 31.147 1.00 0.00 ATOM 603 CG1 VAL 76 29.252 30.540 32.675 1.00 0.00 ATOM 604 CG2 VAL 76 27.839 31.019 30.651 1.00 0.00 ATOM 605 O VAL 76 30.022 31.481 28.201 1.00 0.00 ATOM 606 C VAL 76 30.539 30.865 29.133 1.00 0.00 ATOM 607 N GLU 77 31.305 29.794 28.950 1.00 0.00 ATOM 608 CA GLU 77 31.535 29.246 27.618 1.00 0.00 ATOM 609 CB GLU 77 33.017 28.890 27.523 1.00 0.00 ATOM 610 CG GLU 77 33.920 30.124 27.606 1.00 0.00 ATOM 611 CD GLU 77 35.390 29.759 27.497 1.00 0.00 ATOM 612 OE1 GLU 77 35.864 29.078 28.437 1.00 0.00 ATOM 613 OE2 GLU 77 36.060 30.429 26.663 1.00 0.00 ATOM 614 O GLU 77 30.639 27.098 28.163 1.00 0.00 ATOM 615 C GLU 77 30.701 28.009 27.336 1.00 0.00 ATOM 616 N LEU 78 29.914 28.058 26.265 1.00 0.00 ATOM 617 CA LEU 78 29.072 26.927 25.895 1.00 0.00 ATOM 618 CB LEU 78 27.725 27.416 25.417 1.00 0.00 ATOM 619 CG LEU 78 26.681 26.335 25.211 1.00 0.00 ATOM 620 CD1 LEU 78 26.384 25.694 26.557 1.00 0.00 ATOM 621 CD2 LEU 78 25.437 26.964 24.618 1.00 0.00 ATOM 622 O LEU 78 29.963 26.777 23.672 1.00 0.00 ATOM 623 C LEU 78 29.556 26.169 24.663 1.00 0.00 ATOM 624 N ILE 79 29.505 24.842 24.725 1.00 0.00 ATOM 625 CA ILE 79 29.930 24.059 23.637 1.00 0.00 ATOM 626 CB ILE 79 31.131 23.150 23.931 1.00 0.00 ATOM 627 CG1 ILE 79 32.362 23.978 24.296 1.00 0.00 ATOM 628 CG2 ILE 79 31.485 22.294 22.700 1.00 0.00 ATOM 629 CD1 ILE 79 33.530 23.148 24.832 1.00 0.00 ATOM 630 O ILE 79 27.876 22.941 24.042 1.00 0.00 ATOM 631 C ILE 79 28.755 23.237 23.232 1.00 0.00 ATOM 632 N ASN 80 28.679 22.927 21.941 1.00 0.00 ATOM 633 CA ASN 80 27.575 22.129 21.420 1.00 0.00 ATOM 634 CB ASN 80 26.429 23.080 21.089 1.00 0.00 ATOM 635 CG ASN 80 26.781 24.020 19.964 1.00 0.00 ATOM 636 ND2 ASN 80 25.888 24.924 19.693 1.00 0.00 ATOM 637 OD1 ASN 80 27.893 24.006 19.454 1.00 0.00 ATOM 638 O ASN 80 29.001 21.878 19.496 1.00 0.00 ATOM 639 C ASN 80 28.080 21.393 20.157 1.00 0.00 ATOM 640 N PRO 81 27.307 20.417 19.685 1.00 0.00 ATOM 641 CA PRO 81 27.617 19.677 18.457 1.00 0.00 ATOM 642 CB PRO 81 26.624 18.525 18.456 1.00 0.00 ATOM 643 CG PRO 81 25.435 19.053 19.267 1.00 0.00 ATOM 644 CD PRO 81 26.059 19.945 20.313 1.00 0.00 ATOM 645 O PRO 81 28.019 19.959 16.110 1.00 0.00 ATOM 646 C PRO 81 27.512 20.421 17.130 1.00 0.00 ATOM 647 N ILE 82 26.808 21.548 17.139 1.00 0.00 ATOM 648 CA ILE 82 26.635 22.362 15.910 1.00 0.00 ATOM 649 CB ILE 82 25.201 22.302 15.373 1.00 0.00 ATOM 650 CG1 ILE 82 24.208 22.824 16.408 1.00 0.00 ATOM 651 CG2 ILE 82 24.912 20.861 14.937 1.00 0.00 ATOM 652 CD1 ILE 82 22.777 23.010 15.926 1.00 0.00 ATOM 653 O ILE 82 26.743 24.331 17.212 1.00 0.00 ATOM 654 C ILE 82 27.024 23.824 16.170 1.00 0.00 ATOM 655 N ALA 83 27.068 24.600 15.134 1.00 0.00 ATOM 656 CA ALA 83 27.252 26.051 15.223 1.00 0.00 ATOM 657 CB ALA 83 28.160 26.492 14.060 1.00 0.00 ATOM 658 O ALA 83 24.966 26.624 14.693 1.00 0.00 ATOM 659 C ALA 83 25.882 26.618 15.533 1.00 0.00 ATOM 660 N ASP 84 25.768 27.128 16.733 1.00 0.00 ATOM 661 CA ASP 84 24.465 27.625 17.173 1.00 0.00 ATOM 662 CB ASP 84 24.478 27.881 18.670 1.00 0.00 ATOM 663 CG ASP 84 23.098 28.333 19.148 1.00 0.00 ATOM 664 OD1 ASP 84 22.182 27.514 19.025 1.00 0.00 ATOM 665 OD2 ASP 84 22.968 29.524 19.504 1.00 0.00 ATOM 666 O ASP 84 22.825 28.902 15.908 1.00 0.00 ATOM 667 C ASP 84 23.994 28.810 16.329 1.00 0.00 ATOM 668 N THR 85 24.922 29.788 16.016 1.00 0.00 ATOM 669 CA THR 85 24.558 31.019 15.333 1.00 0.00 ATOM 670 CB THR 85 25.723 31.930 15.004 1.00 0.00 ATOM 671 CG2 THR 85 25.407 33.275 14.340 1.00 0.00 ATOM 672 OG1 THR 85 26.193 32.259 16.263 1.00 0.00 ATOM 673 O THR 85 23.028 31.307 13.508 1.00 0.00 ATOM 674 C THR 85 24.035 30.735 13.929 1.00 0.00 ATOM 675 N VAL 86 24.653 29.775 13.247 1.00 0.00 ATOM 676 CA VAL 86 24.236 29.427 11.915 1.00 0.00 ATOM 677 CB VAL 86 25.298 28.580 11.210 1.00 0.00 ATOM 678 CG1 VAL 86 24.851 28.169 9.803 1.00 0.00 ATOM 679 CG2 VAL 86 26.622 29.339 11.086 1.00 0.00 ATOM 680 O VAL 86 21.908 29.206 11.322 1.00 0.00 ATOM 681 C VAL 86 22.866 28.736 11.924 1.00 0.00 ATOM 682 N ALA 87 22.802 27.663 12.684 1.00 0.00 ATOM 683 CA ALA 87 21.600 26.829 12.735 1.00 0.00 ATOM 684 CB ALA 87 21.929 25.683 13.666 1.00 0.00 ATOM 685 O ALA 87 19.228 27.184 12.686 1.00 0.00 ATOM 686 C ALA 87 20.305 27.485 13.201 1.00 0.00 ATOM 687 N THR 88 20.412 28.383 14.177 1.00 0.00 ATOM 688 CA THR 88 19.221 29.092 14.714 1.00 0.00 ATOM 689 CB THR 88 18.811 28.643 16.153 1.00 0.00 ATOM 690 CG2 THR 88 18.412 27.190 16.134 1.00 0.00 ATOM 691 OG1 THR 88 19.906 28.790 17.076 1.00 0.00 ATOM 692 O THR 88 18.552 31.361 15.194 1.00 0.00 ATOM 693 C THR 88 19.299 30.624 14.547 1.00 0.00 ATOM 694 N ALA 89 20.198 31.089 13.685 1.00 0.00 ATOM 695 CA ALA 89 20.352 32.519 13.450 1.00 0.00 ATOM 696 CB ALA 89 19.136 32.901 12.595 1.00 0.00 ATOM 697 O ALA 89 20.159 34.630 14.568 1.00 0.00 ATOM 698 C ALA 89 20.521 33.457 14.668 1.00 0.00 ATOM 699 N THR 90 21.386 33.076 15.603 1.00 0.00 ATOM 700 CA THR 90 21.622 33.890 16.791 1.00 0.00 ATOM 701 CB THR 90 21.998 32.989 18.019 1.00 0.00 ATOM 702 CG2 THR 90 22.169 33.819 19.283 1.00 0.00 ATOM 703 OG1 THR 90 20.992 31.996 18.250 1.00 0.00 ATOM 704 O THR 90 23.692 34.830 16.025 1.00 0.00 ATOM 705 C THR 90 22.607 35.033 16.570 1.00 0.00 ATOM 706 N TYR 91 22.235 36.231 17.013 1.00 0.00 ATOM 707 CA TYR 91 23.102 37.398 16.859 1.00 0.00 ATOM 708 CB TYR 91 22.441 38.517 16.060 1.00 0.00 ATOM 709 CG TYR 91 22.215 38.123 14.600 1.00 0.00 ATOM 710 CD1 TYR 91 20.999 37.553 14.223 1.00 0.00 ATOM 711 CD2 TYR 91 23.183 38.365 13.637 1.00 0.00 ATOM 712 CE1 TYR 91 20.776 37.245 12.887 1.00 0.00 ATOM 713 CE2 TYR 91 22.951 38.060 12.306 1.00 0.00 ATOM 714 CZ TYR 91 21.735 37.514 11.934 1.00 0.00 ATOM 715 OH TYR 91 21.479 37.242 10.620 1.00 0.00 ATOM 716 O TYR 91 22.751 37.595 19.223 1.00 0.00 ATOM 717 C TYR 91 23.376 37.989 18.237 1.00 0.00 ATOM 718 N GLN 92 24.354 38.885 18.316 1.00 0.00 ATOM 719 CA GLN 92 24.698 39.513 19.578 1.00 0.00 ATOM 720 CB GLN 92 25.705 40.602 19.279 1.00 0.00 ATOM 721 CG GLN 92 25.371 41.464 18.064 1.00 0.00 ATOM 722 CD GLN 92 26.418 42.532 17.829 1.00 0.00 ATOM 723 OE1 GLN 92 26.352 43.275 16.884 1.00 0.00 ATOM 724 NE2 GLN 92 27.383 42.669 18.710 1.00 0.00 ATOM 725 O GLN 92 22.666 40.770 19.474 1.00 0.00 ATOM 726 C GLN 92 23.459 40.144 20.179 1.00 0.00 ATOM 727 N GLY 93 23.273 39.959 21.482 1.00 0.00 ATOM 728 CA GLY 93 22.117 40.523 22.169 1.00 0.00 ATOM 729 O GLY 93 20.110 39.668 23.169 1.00 0.00 ATOM 730 C GLY 93 20.976 39.519 22.306 1.00 0.00 ATOM 731 N ALA 94 20.979 38.498 21.455 1.00 0.00 ATOM 732 CA ALA 94 19.918 37.448 21.490 1.00 0.00 ATOM 733 CB ALA 94 20.150 36.395 20.407 1.00 0.00 ATOM 734 O ALA 94 20.960 36.520 23.437 1.00 0.00 ATOM 735 C ALA 94 19.906 36.793 22.861 1.00 0.00 ATOM 736 N ASP 95 18.712 36.537 23.386 1.00 0.00 ATOM 737 CA ASP 95 18.580 35.908 24.694 1.00 0.00 ATOM 738 CB ASP 95 17.507 36.542 25.575 1.00 0.00 ATOM 739 CG ASP 95 17.836 38.002 25.879 1.00 0.00 ATOM 740 OD1 ASP 95 18.965 38.268 26.365 1.00 0.00 ATOM 741 OD2 ASP 95 16.922 38.777 25.565 1.00 0.00 ATOM 742 O ASP 95 17.242 34.103 23.838 1.00 0.00 ATOM 743 C ASP 95 18.208 34.438 24.522 1.00 0.00 ATOM 744 N VAL 96 18.989 33.592 25.127 1.00 0.00 ATOM 745 CA VAL 96 18.778 32.152 25.043 1.00 0.00 ATOM 746 CB VAL 96 19.767 31.351 24.208 1.00 0.00 ATOM 747 CG1 VAL 96 19.736 31.821 22.748 1.00 0.00 ATOM 748 CG2 VAL 96 21.153 31.542 24.774 1.00 0.00 ATOM 749 O VAL 96 18.168 32.432 27.266 1.00 0.00 ATOM 750 C VAL 96 18.656 31.650 26.478 1.00 0.00 ATOM 751 N ASP 97 18.503 30.363 26.670 1.00 0.00 ATOM 752 CA ASP 97 18.397 29.820 28.028 1.00 0.00 ATOM 753 CB ASP 97 16.986 29.436 28.466 1.00 0.00 ATOM 754 CG ASP 97 16.084 30.649 28.586 1.00 0.00 ATOM 755 OD1 ASP 97 16.355 31.461 29.481 1.00 0.00 ATOM 756 OD2 ASP 97 15.064 30.594 27.892 1.00 0.00 ATOM 757 O ASP 97 19.500 27.900 27.098 1.00 0.00 ATOM 758 C ASP 97 19.263 28.586 28.100 1.00 0.00 ATOM 759 N TRP 98 19.653 28.286 29.318 1.00 0.00 ATOM 760 CA TRP 98 20.194 26.951 29.598 1.00 0.00 ATOM 761 CB TRP 98 21.707 26.717 29.544 1.00 0.00 ATOM 762 CG TRP 98 22.561 27.819 30.148 1.00 0.00 ATOM 763 CD1 TRP 98 23.196 28.677 29.363 1.00 0.00 ATOM 764 CD2 TRP 98 23.021 27.991 31.442 1.00 0.00 ATOM 765 CE2 TRP 98 23.964 29.001 31.358 1.00 0.00 ATOM 766 CE3 TRP 98 22.758 27.387 32.674 1.00 0.00 ATOM 767 NE1 TRP 98 24.049 29.390 30.083 1.00 0.00 ATOM 768 CZ2 TRP 98 24.643 29.418 32.481 1.00 0.00 ATOM 769 CZ3 TRP 98 23.448 27.821 33.805 1.00 0.00 ATOM 770 CH2 TRP 98 24.384 28.838 33.709 1.00 0.00 ATOM 771 O TRP 98 19.436 26.946 31.887 1.00 0.00 ATOM 772 C TRP 98 19.711 26.312 30.864 1.00 0.00 ATOM 773 N TYR 99 19.629 25.005 30.714 1.00 0.00 ATOM 774 CA TYR 99 19.173 24.172 31.817 1.00 0.00 ATOM 775 CB TYR 99 18.073 23.161 31.390 1.00 0.00 ATOM 776 CG TYR 99 17.657 22.286 32.541 1.00 0.00 ATOM 777 CD1 TYR 99 16.837 22.794 33.554 1.00 0.00 ATOM 778 CD2 TYR 99 18.144 20.970 32.674 1.00 0.00 ATOM 779 CE1 TYR 99 16.515 22.021 34.674 1.00 0.00 ATOM 780 CE2 TYR 99 17.822 20.187 33.798 1.00 0.00 ATOM 781 CZ TYR 99 17.012 20.726 34.796 1.00 0.00 ATOM 782 OH TYR 99 16.744 20.003 35.951 1.00 0.00 ATOM 783 O TYR 99 20.964 22.655 31.794 1.00 0.00 ATOM 784 C TYR 99 20.348 23.458 32.452 1.00 0.00 ATOM 785 N ILE 100 20.609 23.714 33.713 1.00 0.00 ATOM 786 CA ILE 100 21.716 23.102 34.472 1.00 0.00 ATOM 787 CB ILE 100 22.744 24.186 34.880 1.00 0.00 ATOM 788 CG1 ILE 100 23.942 23.609 35.657 1.00 0.00 ATOM 789 CG2 ILE 100 22.099 25.230 35.794 1.00 0.00 ATOM 790 CD1 ILE 100 25.184 24.506 35.689 1.00 0.00 ATOM 791 O ILE 100 20.407 22.782 36.449 1.00 0.00 ATOM 792 C ILE 100 21.196 22.278 35.659 1.00 0.00 ATOM 793 N LYS 101 21.770 21.106 35.864 1.00 0.00 ATOM 794 CA LYS 101 21.590 20.361 37.135 1.00 0.00 ATOM 795 CB LYS 101 22.030 18.908 36.983 1.00 0.00 ATOM 796 CG LYS 101 21.074 18.099 36.114 1.00 0.00 ATOM 797 CD LYS 101 21.533 16.644 36.125 1.00 0.00 ATOM 798 CE LYS 101 20.499 15.782 35.427 1.00 0.00 ATOM 799 NZ LYS 101 20.930 14.394 35.309 1.00 0.00 ATOM 800 O LYS 101 23.690 21.145 37.993 1.00 0.00 ATOM 801 C LYS 101 22.478 21.028 38.181 1.00 0.00 ATOM 802 N ALA 102 21.875 21.464 39.282 1.00 0.00 ATOM 803 CA ALA 102 22.628 22.121 40.358 1.00 0.00 ATOM 804 CB ALA 102 21.620 22.757 41.289 1.00 0.00 ATOM 805 O ALA 102 23.123 19.842 40.968 1.00 0.00 ATOM 806 C ALA 102 23.306 21.035 41.215 1.00 0.00 ATOM 807 N ASP 103 24.080 21.454 42.211 1.00 0.00 ATOM 808 CA ASP 103 24.765 20.510 43.084 1.00 0.00 ATOM 809 CB ASP 103 25.716 21.254 44.026 1.00 0.00 ATOM 810 CG ASP 103 26.894 21.897 43.265 1.00 0.00 ATOM 811 OD1 ASP 103 27.129 21.595 42.070 1.00 0.00 ATOM 812 OD2 ASP 103 27.498 22.787 43.883 1.00 0.00 ATOM 813 O ASP 103 23.857 18.469 43.953 1.00 0.00 ATOM 814 C ASP 103 23.734 19.690 43.842 1.00 0.00 ATOM 815 N ASP 104 22.713 20.360 44.367 1.00 0.00 ATOM 816 CA ASP 104 21.662 19.677 45.112 1.00 0.00 ATOM 817 CB ASP 104 20.648 20.561 45.692 1.00 0.00 ATOM 818 CG ASP 104 21.148 21.201 46.973 1.00 0.00 ATOM 819 OD1 ASP 104 21.942 20.561 47.695 1.00 0.00 ATOM 820 OD2 ASP 104 20.734 22.342 47.267 1.00 0.00 ATOM 821 O ASP 104 20.726 17.631 44.375 1.00 0.00 ATOM 822 C ASP 104 20.895 18.794 44.134 1.00 0.00 ATOM 823 N ILE 105 20.654 19.204 42.915 1.00 0.00 ATOM 824 CA ILE 105 19.990 18.304 41.939 1.00 0.00 ATOM 825 CB ILE 105 19.697 19.132 40.688 1.00 0.00 ATOM 826 CG1 ILE 105 18.669 20.217 41.018 1.00 0.00 ATOM 827 CG2 ILE 105 19.228 18.256 39.526 1.00 0.00 ATOM 828 CD1 ILE 105 18.682 21.345 39.995 1.00 0.00 ATOM 829 O ILE 105 20.224 15.991 41.259 1.00 0.00 ATOM 830 C ILE 105 20.790 17.022 41.615 1.00 0.00 ATOM 831 N VAL 106 22.070 17.167 41.366 1.00 0.00 ATOM 832 CA VAL 106 22.983 16.063 41.010 1.00 0.00 ATOM 833 CB VAL 106 24.363 16.642 40.636 1.00 0.00 ATOM 834 CG1 VAL 106 25.387 15.532 40.387 1.00 0.00 ATOM 835 CG2 VAL 106 24.260 17.547 39.414 1.00 0.00 ATOM 836 O VAL 106 22.654 13.910 42.016 1.00 0.00 ATOM 837 C VAL 106 23.081 15.058 42.152 1.00 0.00 ATOM 838 N LEU 107 23.643 15.489 43.276 1.00 0.00 ATOM 839 CA LEU 107 23.790 14.607 44.449 1.00 0.00 ATOM 840 CB LEU 107 24.901 15.155 45.382 1.00 0.00 ATOM 841 CG LEU 107 26.291 15.238 44.750 1.00 0.00 ATOM 842 CD1 LEU 107 27.262 15.969 45.662 1.00 0.00 ATOM 843 CD2 LEU 107 26.858 13.837 44.445 1.00 0.00 ATOM 844 O LEU 107 22.350 13.116 45.685 1.00 0.00 ATOM 845 C LEU 107 22.472 14.222 45.159 1.00 0.00 ATOM 846 N THR 108 21.506 15.134 45.164 1.00 0.00 ATOM 847 CA THR 108 20.223 14.872 45.804 1.00 0.00 ATOM 848 CB THR 108 19.538 16.055 46.527 1.00 0.00 ATOM 849 CG2 THR 108 18.130 15.825 47.081 1.00 0.00 ATOM 850 OG1 THR 108 20.433 16.627 47.477 1.00 0.00 ATOM 851 O THR 108 19.001 15.066 43.762 1.00 0.00 ATOM 852 C THR 108 19.436 14.304 44.626 1.00 0.00 ATOM 853 N LYS 109 18.926 13.095 44.770 1.00 0.00 ATOM 854 CA LYS 109 18.241 12.436 43.659 1.00 0.00 ATOM 855 CB LYS 109 18.484 10.861 44.165 1.00 0.00 ATOM 856 CG LYS 109 19.830 10.400 44.652 1.00 0.00 ATOM 857 CD LYS 109 19.669 9.582 45.869 1.00 0.00 ATOM 858 CE LYS 109 21.010 9.247 46.437 1.00 0.00 ATOM 859 NZ LYS 109 20.916 9.328 47.906 1.00 0.00 ATOM 860 O LYS 109 16.028 11.857 42.875 1.00 0.00 ATOM 861 C LYS 109 16.688 12.332 43.775 1.00 0.00 ATOM 862 N ASP 110 16.069 12.841 44.822 1.00 0.00 ATOM 863 CA ASP 110 14.636 12.702 45.178 1.00 0.00 ATOM 864 CB ASP 110 14.315 13.588 46.443 1.00 0.00 ATOM 865 CG ASP 110 15.012 13.131 47.726 1.00 0.00 ATOM 866 OD1 ASP 110 15.486 11.978 47.704 1.00 0.00 ATOM 867 OD2 ASP 110 15.065 13.905 48.709 1.00 0.00 ATOM 868 O ASP 110 12.430 12.617 44.237 1.00 0.00 ATOM 869 C ASP 110 13.558 13.109 44.179 1.00 0.00 ATOM 870 N SER 111 13.905 14.007 43.263 1.00 0.00 ATOM 871 CA SER 111 12.965 14.457 42.275 1.00 0.00 ATOM 872 CB SER 111 12.912 15.976 42.326 1.00 0.00 ATOM 873 OG SER 111 12.021 16.404 41.306 1.00 0.00 ATOM 874 O SER 111 14.437 14.288 40.387 1.00 0.00 ATOM 875 C SER 111 13.343 13.994 40.871 1.00 0.00 ATOM 876 N SER 112 12.437 13.272 40.220 1.00 0.00 ATOM 877 CA SER 112 12.691 12.771 38.861 1.00 0.00 ATOM 878 CB SER 112 10.955 12.250 38.741 1.00 0.00 ATOM 879 OG SER 112 10.394 11.641 39.911 1.00 0.00 ATOM 880 O SER 112 14.000 13.698 37.209 1.00 0.00 ATOM 881 C SER 112 13.010 13.885 37.875 1.00 0.00 ATOM 882 N SER 113 12.233 14.959 37.792 1.00 0.00 ATOM 883 CA SER 113 12.419 16.064 36.813 1.00 0.00 ATOM 884 CB SER 113 11.449 17.213 37.067 1.00 0.00 ATOM 885 OG SER 113 10.122 16.727 36.907 1.00 0.00 ATOM 886 O SER 113 14.507 16.859 35.939 1.00 0.00 ATOM 887 C SER 113 13.809 16.679 36.937 1.00 0.00 ATOM 888 N PHE 114 14.209 16.999 38.164 1.00 0.00 ATOM 889 CA PHE 114 15.489 17.576 38.385 1.00 0.00 ATOM 890 CB PHE 114 15.567 17.956 39.866 1.00 0.00 ATOM 891 CG PHE 114 14.772 19.234 40.147 1.00 0.00 ATOM 892 CD1 PHE 114 13.542 19.166 40.737 1.00 0.00 ATOM 893 CD2 PHE 114 15.270 20.483 39.826 1.00 0.00 ATOM 894 CE1 PHE 114 12.825 20.297 41.037 1.00 0.00 ATOM 895 CE2 PHE 114 14.565 21.638 40.128 1.00 0.00 ATOM 896 CZ PHE 114 13.335 21.553 40.747 1.00 0.00 ATOM 897 O PHE 114 17.664 17.082 37.435 1.00 0.00 ATOM 898 C PHE 114 16.674 16.633 38.013 1.00 0.00 ATOM 899 N LYS 115 16.553 15.352 38.346 1.00 0.00 ATOM 900 CA LYS 115 17.604 14.389 38.040 1.00 0.00 ATOM 901 CB LYS 115 17.603 13.283 39.094 1.00 0.00 ATOM 902 CG LYS 115 16.377 12.371 38.949 1.00 0.00 ATOM 903 CD LYS 115 16.373 11.341 40.050 1.00 0.00 ATOM 904 CE LYS 115 15.130 10.459 40.032 1.00 0.00 ATOM 905 NZ LYS 115 15.205 9.427 41.081 1.00 0.00 ATOM 906 O LYS 115 18.240 12.941 36.191 1.00 0.00 ATOM 907 C LYS 115 17.452 13.780 36.635 1.00 0.00 ATOM 908 N ALA 116 16.437 14.259 35.931 1.00 0.00 ATOM 909 CA ALA 116 16.081 13.790 34.592 1.00 0.00 ATOM 910 CB ALA 116 14.712 14.345 34.231 1.00 0.00 ATOM 911 O ALA 116 17.673 15.412 33.838 1.00 0.00 ATOM 912 C ALA 116 17.077 14.368 33.602 1.00 0.00 ATOM 913 N GLN 117 17.265 13.626 32.530 1.00 0.00 ATOM 914 CA GLN 117 18.175 14.046 31.469 1.00 0.00 ATOM 915 CB GLN 117 18.406 12.944 30.418 1.00 0.00 ATOM 916 CG GLN 117 18.875 11.631 30.993 1.00 0.00 ATOM 917 CD GLN 117 20.221 11.744 31.691 1.00 0.00 ATOM 918 OE1 GLN 117 20.397 11.261 32.805 1.00 0.00 ATOM 919 NE2 GLN 117 21.173 12.413 31.045 1.00 0.00 ATOM 920 O GLN 117 16.332 15.345 30.675 1.00 0.00 ATOM 921 C GLN 117 17.564 15.228 30.720 1.00 0.00 ATOM 922 N PRO 118 18.420 16.103 30.173 1.00 0.00 ATOM 923 CA PRO 118 17.955 17.268 29.411 1.00 0.00 ATOM 924 CB PRO 118 19.204 17.853 28.782 1.00 0.00 ATOM 925 CG PRO 118 20.404 16.983 29.092 1.00 0.00 ATOM 926 CD PRO 118 19.881 15.936 30.055 1.00 0.00 ATOM 927 O PRO 118 16.149 17.575 27.862 1.00 0.00 ATOM 928 C PRO 118 17.080 16.859 28.233 1.00 0.00 ATOM 929 N GLN 119 17.377 15.704 27.643 1.00 0.00 ATOM 930 CA GLN 119 16.601 15.206 26.495 1.00 0.00 ATOM 931 CB GLN 119 17.169 13.852 26.059 1.00 0.00 ATOM 932 CG GLN 119 16.553 13.386 24.736 1.00 0.00 ATOM 933 CD GLN 119 16.875 14.333 23.566 1.00 0.00 ATOM 934 OE1 GLN 119 17.919 14.911 23.358 1.00 0.00 ATOM 935 NE2 GLN 119 15.863 14.628 22.811 1.00 0.00 ATOM 936 O GLN 119 14.246 15.307 26.071 1.00 0.00 ATOM 937 C GLN 119 15.139 15.029 26.875 1.00 0.00 ATOM 938 N ALA 120 14.888 14.707 28.140 1.00 0.00 ATOM 939 CA ALA 120 13.522 14.516 28.615 1.00 0.00 ATOM 940 CB ALA 120 13.588 13.814 29.953 1.00 0.00 ATOM 941 O ALA 120 11.841 16.158 28.066 1.00 0.00 ATOM 942 C ALA 120 12.826 15.886 28.753 1.00 0.00 ATOM 943 N LYS 121 13.349 16.740 29.630 1.00 0.00 ATOM 944 CA LYS 121 12.763 18.056 29.845 1.00 0.00 ATOM 945 CB LYS 121 11.600 17.754 30.810 1.00 0.00 ATOM 946 CG LYS 121 10.849 19.001 31.247 1.00 0.00 ATOM 947 CD LYS 121 9.735 18.672 32.224 1.00 0.00 ATOM 948 CE LYS 121 9.070 19.992 32.604 1.00 0.00 ATOM 949 NZ LYS 121 7.919 19.704 33.437 1.00 0.00 ATOM 950 O LYS 121 14.791 18.374 31.115 1.00 0.00 ATOM 951 C LYS 121 13.801 18.887 30.601 1.00 0.00 ATOM 952 N LYS 122 13.511 20.182 30.604 1.00 0.00 ATOM 953 CA LYS 122 14.165 21.173 31.479 1.00 0.00 ATOM 954 CB LYS 122 14.937 22.148 30.650 1.00 0.00 ATOM 955 CG LYS 122 14.186 22.890 29.600 1.00 0.00 ATOM 956 CD LYS 122 15.128 23.824 28.849 1.00 0.00 ATOM 957 CE LYS 122 15.882 24.718 29.808 1.00 0.00 ATOM 958 NZ LYS 122 16.901 25.568 29.123 1.00 0.00 ATOM 959 O LYS 122 12.018 22.269 31.655 1.00 0.00 ATOM 960 C LYS 122 13.111 22.024 32.182 1.00 0.00 ATOM 961 N GLU 123 13.497 22.550 33.329 1.00 0.00 ATOM 962 CA GLU 123 12.625 23.461 34.085 1.00 0.00 ATOM 963 CB GLU 123 13.283 23.767 35.415 1.00 0.00 ATOM 964 CG GLU 123 12.358 24.601 36.290 1.00 0.00 ATOM 965 CD GLU 123 12.996 24.907 37.625 1.00 0.00 ATOM 966 OE1 GLU 123 14.128 24.442 37.904 1.00 0.00 ATOM 967 OE2 GLU 123 12.216 25.473 38.406 1.00 0.00 ATOM 968 O GLU 123 13.349 25.322 32.779 1.00 0.00 ATOM 969 C GLU 123 12.392 24.750 33.300 1.00 0.00 ATOM 970 N PRO 124 11.136 25.155 33.104 1.00 0.00 ATOM 971 CA PRO 124 10.834 26.246 32.183 1.00 0.00 ATOM 972 CB PRO 124 9.425 25.934 31.724 1.00 0.00 ATOM 973 CG PRO 124 8.804 25.364 33.000 1.00 0.00 ATOM 974 CD PRO 124 9.905 24.497 33.596 1.00 0.00 ATOM 975 O PRO 124 11.055 28.582 31.923 1.00 0.00 ATOM 976 C PRO 124 10.983 27.665 32.733 1.00 0.00 ATOM 977 N THR 125 11.119 27.807 34.038 1.00 0.00 ATOM 978 CA THR 125 11.231 29.122 34.689 1.00 0.00 ATOM 979 CB THR 125 10.154 29.286 35.770 1.00 0.00 ATOM 980 CG2 THR 125 8.793 29.011 35.164 1.00 0.00 ATOM 981 OG1 THR 125 10.419 28.333 36.801 1.00 0.00 ATOM 982 O THR 125 13.334 28.342 35.538 1.00 0.00 ATOM 983 C THR 125 12.586 29.304 35.363 1.00 0.00 ATOM 984 N GLN 126 12.901 30.540 35.741 1.00 0.00 ATOM 985 CA GLN 126 14.160 30.823 36.391 1.00 0.00 ATOM 986 CB GLN 126 14.995 31.793 35.564 1.00 0.00 ATOM 987 CG GLN 126 15.283 31.325 34.140 1.00 0.00 ATOM 988 CD GLN 126 14.069 31.453 33.216 1.00 0.00 ATOM 989 OE1 GLN 126 13.263 32.350 33.315 1.00 0.00 ATOM 990 NE2 GLN 126 13.911 30.549 32.298 1.00 0.00 ATOM 991 O GLN 126 13.117 32.449 37.796 1.00 0.00 ATOM 992 C GLN 126 13.999 31.598 37.678 1.00 0.00 ATOM 993 N ASP 127 14.855 31.306 38.654 1.00 0.00 ATOM 994 CA ASP 127 14.796 31.992 39.939 1.00 0.00 ATOM 995 CB ASP 127 15.652 31.201 40.939 1.00 0.00 ATOM 996 CG ASP 127 17.133 31.037 40.534 1.00 0.00 ATOM 997 OD1 ASP 127 17.996 31.763 41.077 1.00 0.00 ATOM 998 OD2 ASP 127 17.438 30.147 39.707 1.00 0.00 ATOM 999 O ASP 127 16.065 33.656 38.775 1.00 0.00 ATOM 1000 C ASP 127 15.335 33.422 39.728 1.00 0.00 ATOM 1001 N LYS 128 14.871 34.341 40.558 1.00 0.00 ATOM 1002 CA LYS 128 15.263 35.757 40.492 1.00 0.00 ATOM 1003 CB LYS 128 14.508 36.579 41.547 1.00 0.00 ATOM 1004 CG LYS 128 12.997 36.561 41.359 1.00 0.00 ATOM 1005 CD LYS 128 12.335 37.495 42.362 1.00 0.00 ATOM 1006 CE LYS 128 10.822 37.381 42.250 1.00 0.00 ATOM 1007 NZ LYS 128 10.158 38.299 43.155 1.00 0.00 ATOM 1008 O LYS 128 17.500 35.035 41.028 1.00 0.00 ATOM 1009 C LYS 128 16.780 35.987 40.689 1.00 0.00 TER END