PFRMAT TS TARGET T0383 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) 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 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 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 O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. 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 methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). 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. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. 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 METHOD New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD METHOD Neither BLAST nor our HMMs got hits for T0383, but we were able to METHOD assemble a sheet and helix that look moderately plausible. We relied METHOD on burial predictions to get the phase of the strands of the sheet, METHOD and they may be off by 2. Burial is not as good as we would like, but METHOD we ran out of time to play with the models. METHOD METHOD There is not really time even to go through the README file and figure METHOD out the history of the models. METHOD METHOD Model 1 is try28-opt2, polished from try27-opt2, from try23-opt2, METHOD created from alignments, the most recently added of which is 1xnzA. METHOD Sheet constraints and helix constraints were used in the selection of METHOD the alignment and optimization of the model. METHOD METHOD Model 2 is try15-opt2, an earlier model that was used to get sheet METHOD constraints for the try23-opt2 optimization (but the constraints for METHOD strand N49-I62) were shifted by 1 for the try23 optimization, to flip METHOD the strand over). METHOD METHOD Model 3 is try5-opt2.gromacs0.repack-nonPC, one of rosetta's favorites METHOD of the undertaker-produced backbones that it repacked, but with METHOD polarity problems on the sheet, and with one predicted strand wound up METHOD into a helix. METHOD METHOD Model 4 is try1-opt2, the fully automatic model. METHOD METHOD Model 5 is try21-opt2, one of the many models that had polarity METHOD problems with the sheet, but otherwise scored reasonably well. REMARK 6 REMARK 6 T0383 model 2 Sat Aug 5 21:25:04 2006 MODEL 2 PARENT 1qyn_A 1mug_A 1u6z_A 1xx7_A 1x5k_A REMARK 7 REMARK 7 ALLPARENTS 1qyn_A 1mug_A 1u6z_A 1xx7_A 1x5k_A 1fx3_B 1r8j_A REMARK 7 ALLPARENTS 1e6z_A 1osh_A 1dwn_A 1mva_A 1aq3_A 2gx9_A 1xnz_A REMARK 7 ALLPARENTS 1c24_A 1qyn_A 1j93_A ATOM 1 N SER 1 33.970 44.481 32.430 1.00 0.00 ATOM 2 CA SER 1 35.368 45.020 32.459 1.00 0.00 ATOM 3 CB SER 1 35.912 45.091 31.023 1.00 0.00 ATOM 4 OG SER 1 35.211 46.053 30.249 1.00 0.00 ATOM 5 O SER 1 34.381 47.112 33.095 1.00 0.00 ATOM 6 C SER 1 35.396 46.417 33.071 1.00 0.00 ATOM 7 N ASN 2 36.552 46.825 33.589 1.00 0.00 ATOM 8 CA ASN 2 36.677 48.130 34.216 1.00 0.00 ATOM 9 CB ASN 2 37.944 48.196 35.056 1.00 0.00 ATOM 10 CG ASN 2 37.762 47.504 36.366 1.00 0.00 ATOM 11 ND2 ASN 2 38.647 46.586 36.720 1.00 0.00 ATOM 12 OD1 ASN 2 36.742 47.731 37.031 1.00 0.00 ATOM 13 O ASN 2 36.090 50.364 33.624 1.00 0.00 ATOM 14 C ASN 2 36.560 49.297 33.248 1.00 0.00 ATOM 15 N ALA 3 36.926 49.071 31.978 1.00 0.00 ATOM 16 CA ALA 3 36.788 50.108 30.969 1.00 0.00 ATOM 17 CB ALA 3 37.470 49.684 29.670 1.00 0.00 ATOM 18 O ALA 3 35.065 51.596 30.235 1.00 0.00 ATOM 19 C ALA 3 35.336 50.498 30.707 1.00 0.00 ATOM 20 N MET 4 34.370 49.535 31.045 1.00 0.00 ATOM 21 CA MET 4 32.955 49.786 30.756 1.00 0.00 ATOM 22 CB MET 4 32.118 48.578 31.178 1.00 0.00 ATOM 23 CG MET 4 32.338 47.331 30.370 1.00 0.00 ATOM 24 SD MET 4 31.381 45.972 31.084 1.00 0.00 ATOM 25 CE MET 4 29.709 46.327 30.516 1.00 0.00 ATOM 26 O MET 4 31.482 51.683 30.975 1.00 0.00 ATOM 27 C MET 4 32.389 51.010 31.474 1.00 0.00 ATOM 28 N ASN 5 32.928 51.266 32.657 1.00 0.00 ATOM 29 CA ASN 5 32.407 52.271 33.585 1.00 0.00 ATOM 30 CB ASN 5 32.918 53.729 33.094 1.00 0.00 ATOM 31 CG ASN 5 34.400 53.922 32.814 1.00 0.00 ATOM 32 ND2 ASN 5 35.236 53.320 33.653 1.00 0.00 ATOM 33 OD1 ASN 5 34.787 54.605 31.868 1.00 0.00 ATOM 34 O ASN 5 30.110 52.943 33.840 1.00 0.00 ATOM 35 C ASN 5 30.937 52.020 33.867 1.00 0.00 ATOM 36 N LEU 6 30.597 50.757 34.083 1.00 0.00 ATOM 37 CA LEU 6 29.229 50.358 34.358 1.00 0.00 ATOM 38 CB LEU 6 29.042 49.036 33.648 1.00 0.00 ATOM 39 CG LEU 6 27.648 48.427 33.808 1.00 0.00 ATOM 40 CD1 LEU 6 26.586 49.462 33.448 1.00 0.00 ATOM 41 CD2 LEU 6 27.531 47.204 32.896 1.00 0.00 ATOM 42 O LEU 6 29.856 48.701 35.956 1.00 0.00 ATOM 43 C LEU 6 29.251 49.752 35.755 1.00 0.00 ATOM 44 N LYS 7 28.741 50.476 36.746 1.00 0.00 ATOM 45 CA LYS 7 28.702 49.945 38.100 1.00 0.00 ATOM 46 CB LYS 7 29.056 50.708 39.141 1.00 0.00 ATOM 47 CG LYS 7 28.734 50.102 40.499 1.00 0.00 ATOM 48 CD LYS 7 28.980 51.110 41.632 1.00 0.00 ATOM 49 CE LYS 7 30.436 51.114 42.058 1.00 0.00 ATOM 50 NZ LYS 7 30.748 49.942 42.920 1.00 0.00 ATOM 51 O LYS 7 26.503 48.974 38.246 1.00 0.00 ATOM 52 C LYS 7 27.714 48.781 38.120 1.00 0.00 ATOM 53 N ARG 8 28.308 47.532 37.982 1.00 0.00 ATOM 54 CA ARG 8 27.520 46.323 37.928 1.00 0.00 ATOM 55 CB ARG 8 28.229 45.229 37.075 1.00 0.00 ATOM 56 CG ARG 8 28.439 45.613 35.616 1.00 0.00 ATOM 57 CD ARG 8 29.435 44.674 34.918 1.00 0.00 ATOM 58 NE ARG 8 30.823 44.942 35.311 1.00 0.00 ATOM 59 CZ ARG 8 31.566 44.162 36.092 1.00 0.00 ATOM 60 NH1 ARG 8 31.081 43.017 36.603 1.00 0.00 ATOM 61 NH2 ARG 8 32.826 44.514 36.341 1.00 0.00 ATOM 62 O ARG 8 28.089 45.650 40.167 1.00 0.00 ATOM 63 C ARG 8 27.197 45.953 39.374 1.00 0.00 ATOM 64 N GLU 9 25.923 46.048 39.733 1.00 0.00 ATOM 65 CA GLU 9 25.500 45.753 41.087 1.00 0.00 ATOM 66 CB GLU 9 24.334 46.656 41.493 1.00 0.00 ATOM 67 CG GLU 9 24.696 48.130 41.591 1.00 0.00 ATOM 68 CD GLU 9 25.758 48.399 42.638 1.00 0.00 ATOM 69 OE1 GLU 9 25.557 48.005 43.805 1.00 0.00 ATOM 70 OE2 GLU 9 26.795 49.004 42.289 1.00 0.00 ATOM 71 O GLU 9 25.440 43.717 42.300 1.00 0.00 ATOM 72 C GLU 9 25.132 44.292 41.256 1.00 0.00 ATOM 73 N GLN 10 24.471 43.802 40.065 1.00 0.00 ATOM 74 CA GLN 10 24.167 42.377 40.109 1.00 0.00 ATOM 75 CB GLN 10 22.854 42.244 40.884 1.00 0.00 ATOM 76 CG GLN 10 22.544 40.829 41.344 1.00 0.00 ATOM 77 CD GLN 10 21.262 40.745 42.148 1.00 0.00 ATOM 78 OE1 GLN 10 20.616 41.759 42.413 1.00 0.00 ATOM 79 NE2 GLN 10 20.889 39.531 42.539 1.00 0.00 ATOM 80 O GLN 10 23.015 42.194 38.027 1.00 0.00 ATOM 81 C GLN 10 23.795 41.664 38.826 1.00 0.00 ATOM 82 N GLU 11 24.386 40.389 38.515 1.00 0.00 ATOM 83 CA GLU 11 24.023 39.642 37.302 1.00 0.00 ATOM 84 CB GLU 11 25.355 39.203 36.713 1.00 0.00 ATOM 85 CG GLU 11 26.270 40.308 36.253 1.00 0.00 ATOM 86 CD GLU 11 27.536 40.438 37.083 1.00 0.00 ATOM 87 OE1 GLU 11 27.460 40.278 38.320 1.00 0.00 ATOM 88 OE2 GLU 11 28.607 40.732 36.501 1.00 0.00 ATOM 89 O GLU 11 23.639 37.656 38.554 1.00 0.00 ATOM 90 C GLU 11 23.249 38.382 37.651 1.00 0.00 ATOM 91 N PHE 12 22.139 38.129 36.965 1.00 0.00 ATOM 92 CA PHE 12 21.314 36.977 37.313 1.00 0.00 ATOM 93 CB PHE 12 20.465 37.280 38.548 1.00 0.00 ATOM 94 CG PHE 12 19.494 38.408 38.354 1.00 0.00 ATOM 95 CD1 PHE 12 18.195 38.161 37.942 1.00 0.00 ATOM 96 CD2 PHE 12 19.878 39.719 38.585 1.00 0.00 ATOM 97 CE1 PHE 12 17.301 39.200 37.764 1.00 0.00 ATOM 98 CE2 PHE 12 18.983 40.757 38.406 1.00 0.00 ATOM 99 CZ PHE 12 17.701 40.502 37.999 1.00 0.00 ATOM 100 O PHE 12 20.404 37.317 35.129 1.00 0.00 ATOM 101 C PHE 12 20.439 36.601 36.131 1.00 0.00 ATOM 102 N VAL 13 20.122 35.373 36.109 1.00 0.00 ATOM 103 CA VAL 13 19.231 34.875 35.077 1.00 0.00 ATOM 104 CB VAL 13 19.531 33.431 34.629 1.00 0.00 ATOM 105 CG1 VAL 13 18.520 32.977 33.588 1.00 0.00 ATOM 106 CG2 VAL 13 20.922 33.341 34.019 1.00 0.00 ATOM 107 O VAL 13 17.518 34.246 36.628 1.00 0.00 ATOM 108 C VAL 13 17.835 34.937 35.659 1.00 0.00 ATOM 109 N SER 14 16.988 35.743 35.035 1.00 0.00 ATOM 110 CA SER 14 15.619 35.895 35.490 1.00 0.00 ATOM 111 CB SER 14 15.000 37.168 34.908 1.00 0.00 ATOM 112 OG SER 14 14.889 37.081 33.497 1.00 0.00 ATOM 113 O SER 14 13.804 34.393 35.771 1.00 0.00 ATOM 114 C SER 14 14.758 34.734 35.075 1.00 0.00 ATOM 115 N GLN 15 15.143 34.063 33.996 1.00 0.00 ATOM 116 CA GLN 15 14.325 32.974 33.485 1.00 0.00 ATOM 117 CB GLN 15 13.144 33.524 32.682 1.00 0.00 ATOM 118 CG GLN 15 12.208 32.453 32.145 1.00 0.00 ATOM 119 CD GLN 15 11.005 33.036 31.432 1.00 0.00 ATOM 120 OE1 GLN 15 10.910 34.248 31.242 1.00 0.00 ATOM 121 NE2 GLN 15 10.079 32.171 31.031 1.00 0.00 ATOM 122 O GLN 15 16.043 32.575 31.846 1.00 0.00 ATOM 123 C GLN 15 15.172 32.094 32.582 1.00 0.00 ATOM 124 N TYR 16 14.904 30.803 32.630 1.00 0.00 ATOM 125 CA TYR 16 15.655 29.850 31.837 1.00 0.00 ATOM 126 CB TYR 16 16.680 29.182 32.703 1.00 0.00 ATOM 127 CG TYR 16 17.638 28.299 31.938 1.00 0.00 ATOM 128 CD1 TYR 16 18.715 28.836 31.262 1.00 0.00 ATOM 129 CD2 TYR 16 17.432 26.932 31.910 1.00 0.00 ATOM 130 CE1 TYR 16 19.555 27.990 30.557 1.00 0.00 ATOM 131 CE2 TYR 16 18.272 26.081 31.217 1.00 0.00 ATOM 132 CZ TYR 16 19.337 26.632 30.540 1.00 0.00 ATOM 133 OH TYR 16 20.189 25.818 29.828 1.00 0.00 ATOM 134 O TYR 16 13.945 28.234 32.188 1.00 0.00 ATOM 135 C TYR 16 14.726 28.753 31.389 1.00 0.00 ATOM 136 N HIS 17 14.792 28.411 30.113 1.00 0.00 ATOM 137 CA HIS 17 13.937 27.363 29.608 1.00 0.00 ATOM 138 CB HIS 17 12.670 27.958 28.991 1.00 0.00 ATOM 139 CG HIS 17 11.727 26.932 28.443 1.00 0.00 ATOM 140 CD2 HIS 17 11.357 26.466 27.115 1.00 0.00 ATOM 141 ND1 HIS 17 10.935 26.142 29.248 1.00 0.00 ATOM 142 CE1 HIS 17 10.201 25.324 28.475 1.00 0.00 ATOM 143 NE2 HIS 17 10.449 25.513 27.193 1.00 0.00 ATOM 144 O HIS 17 14.898 27.097 27.440 1.00 0.00 ATOM 145 C HIS 17 14.602 26.534 28.507 1.00 0.00 ATOM 146 N PHE 18 14.726 25.126 28.531 1.00 0.00 ATOM 147 CA PHE 18 15.283 24.244 27.501 1.00 0.00 ATOM 148 CB PHE 18 16.417 23.567 27.734 1.00 0.00 ATOM 149 CG PHE 18 17.369 24.541 27.074 1.00 0.00 ATOM 150 CD1 PHE 18 17.375 24.703 25.702 1.00 0.00 ATOM 151 CD2 PHE 18 18.210 25.365 27.829 1.00 0.00 ATOM 152 CE1 PHE 18 18.176 25.660 25.108 1.00 0.00 ATOM 153 CE2 PHE 18 19.007 26.311 27.264 1.00 0.00 ATOM 154 CZ PHE 18 19.003 26.464 25.859 1.00 0.00 ATOM 155 O PHE 18 13.879 22.430 28.217 1.00 0.00 ATOM 156 C PHE 18 14.354 23.049 27.267 1.00 0.00 ATOM 157 N ASP 19 14.087 22.722 26.012 1.00 0.00 ATOM 158 CA ASP 19 13.216 21.592 25.726 1.00 0.00 ATOM 159 CB ASP 19 11.804 22.075 25.389 1.00 0.00 ATOM 160 CG ASP 19 10.827 20.932 25.203 1.00 0.00 ATOM 161 OD1 ASP 19 11.267 19.764 25.224 1.00 0.00 ATOM 162 OD2 ASP 19 9.619 21.205 25.038 1.00 0.00 ATOM 163 O ASP 19 14.050 21.362 23.509 1.00 0.00 ATOM 164 C ASP 19 13.723 20.791 24.549 1.00 0.00 ATOM 165 N ALA 20 13.811 19.477 24.735 1.00 0.00 ATOM 166 CA ALA 20 14.231 18.545 23.688 1.00 0.00 ATOM 167 CB ALA 20 15.548 17.886 24.071 1.00 0.00 ATOM 168 O ALA 20 13.309 16.320 23.930 1.00 0.00 ATOM 169 C ALA 20 13.131 17.464 23.527 1.00 0.00 ATOM 170 N ARG 21 11.984 17.850 22.905 1.00 0.00 ATOM 171 CA ARG 21 10.859 16.941 22.696 1.00 0.00 ATOM 172 CB ARG 21 9.593 17.736 22.349 1.00 0.00 ATOM 173 CG ARG 21 9.052 18.565 23.506 1.00 0.00 ATOM 174 CD ARG 21 7.858 19.411 23.091 1.00 0.00 ATOM 175 NE ARG 21 8.223 20.407 22.085 1.00 0.00 ATOM 176 CZ ARG 21 7.424 21.389 21.677 1.00 0.00 ATOM 177 NH1 ARG 21 6.207 21.516 22.188 1.00 0.00 ATOM 178 NH2 ARG 21 7.845 22.250 20.759 1.00 0.00 ATOM 179 O ARG 21 10.478 14.901 21.475 1.00 0.00 ATOM 180 C ARG 21 11.160 15.919 21.595 1.00 0.00 ATOM 181 N ASN 22 12.188 16.187 20.801 1.00 0.00 ATOM 182 CA ASN 22 12.563 15.283 19.715 1.00 0.00 ATOM 183 CB ASN 22 12.709 16.162 18.405 1.00 0.00 ATOM 184 CG ASN 22 12.691 15.412 17.094 1.00 0.00 ATOM 185 ND2 ASN 22 13.625 15.742 16.219 1.00 0.00 ATOM 186 OD1 ASN 22 11.833 14.556 16.865 1.00 0.00 ATOM 187 O ASN 22 14.780 14.376 19.917 1.00 0.00 ATOM 188 C ASN 22 13.582 14.251 20.189 1.00 0.00 ATOM 189 N PHE 23 13.197 13.125 20.953 1.00 0.00 ATOM 190 CA PHE 23 14.153 12.028 21.045 1.00 0.00 ATOM 191 CB PHE 23 13.478 10.817 21.691 1.00 0.00 ATOM 192 CG PHE 23 12.942 11.093 23.064 1.00 0.00 ATOM 193 CD1 PHE 23 11.592 10.896 23.353 1.00 0.00 ATOM 194 CD2 PHE 23 13.783 11.578 24.064 1.00 0.00 ATOM 195 CE1 PHE 23 11.088 11.181 24.622 1.00 0.00 ATOM 196 CE2 PHE 23 13.287 11.866 25.338 1.00 0.00 ATOM 197 CZ PHE 23 11.939 11.669 25.617 1.00 0.00 ATOM 198 O PHE 23 15.920 11.048 19.757 1.00 0.00 ATOM 199 C PHE 23 14.820 11.604 19.741 1.00 0.00 ATOM 200 N GLU 24 14.169 11.855 18.610 1.00 0.00 ATOM 201 CA GLU 24 14.736 11.477 17.324 1.00 0.00 ATOM 202 CB GLU 24 13.759 11.836 16.196 1.00 0.00 ATOM 203 CG GLU 24 14.254 11.542 14.782 1.00 0.00 ATOM 204 CD GLU 24 14.528 10.068 14.517 1.00 0.00 ATOM 205 OE1 GLU 24 13.781 9.207 15.018 1.00 0.00 ATOM 206 OE2 GLU 24 15.474 9.788 13.766 1.00 0.00 ATOM 207 O GLU 24 16.963 11.492 16.438 1.00 0.00 ATOM 208 C GLU 24 16.089 12.122 17.039 1.00 0.00 ATOM 209 N TRP 25 16.282 13.356 17.501 1.00 0.00 ATOM 210 CA TRP 25 17.551 14.038 17.268 1.00 0.00 ATOM 211 CB TRP 25 17.492 15.516 17.698 1.00 0.00 ATOM 212 CG TRP 25 17.517 15.773 19.177 1.00 0.00 ATOM 213 CD1 TRP 25 16.446 16.039 19.980 1.00 0.00 ATOM 214 CD2 TRP 25 18.675 15.813 20.024 1.00 0.00 ATOM 215 CE2 TRP 25 18.224 16.105 21.331 1.00 0.00 ATOM 216 CE3 TRP 25 20.048 15.628 19.806 1.00 0.00 ATOM 217 NE1 TRP 25 16.862 16.238 21.277 1.00 0.00 ATOM 218 CZ2 TRP 25 19.100 16.218 22.419 1.00 0.00 ATOM 219 CZ3 TRP 25 20.918 15.740 20.886 1.00 0.00 ATOM 220 CH2 TRP 25 20.437 16.033 22.177 1.00 0.00 ATOM 221 O TRP 25 19.848 13.381 17.458 1.00 0.00 ATOM 222 C TRP 25 18.716 13.309 17.935 1.00 0.00 ATOM 223 N GLU 26 18.429 12.574 19.038 1.00 0.00 ATOM 224 CA GLU 26 19.465 11.806 19.721 1.00 0.00 ATOM 225 CB GLU 26 18.972 11.288 21.075 1.00 0.00 ATOM 226 CG GLU 26 18.745 12.383 22.113 1.00 0.00 ATOM 227 CD GLU 26 18.582 11.838 23.524 1.00 0.00 ATOM 228 OE1 GLU 26 18.462 10.606 23.684 1.00 0.00 ATOM 229 OE2 GLU 26 18.581 12.646 24.476 1.00 0.00 ATOM 230 O GLU 26 21.146 10.359 18.829 1.00 0.00 ATOM 231 C GLU 26 19.953 10.646 18.861 1.00 0.00 ATOM 232 N ASN 27 19.201 9.642 18.106 1.00 0.00 ATOM 233 CA ASN 27 19.583 8.688 17.069 1.00 0.00 ATOM 234 CB ASN 27 18.486 7.638 16.880 1.00 0.00 ATOM 235 CG ASN 27 18.380 6.687 18.055 1.00 0.00 ATOM 236 ND2 ASN 27 17.223 6.052 18.198 1.00 0.00 ATOM 237 OD1 ASN 27 19.328 6.525 18.823 1.00 0.00 ATOM 238 O ASN 27 20.655 8.994 14.949 1.00 0.00 ATOM 239 C ASN 27 19.804 9.400 15.736 1.00 0.00 ATOM 240 N GLU 28 19.063 10.478 15.500 1.00 0.00 ATOM 241 CA GLU 28 19.193 11.235 14.255 1.00 0.00 ATOM 242 CB GLU 28 18.540 11.990 13.588 1.00 0.00 ATOM 243 CG GLU 28 17.880 11.178 12.459 1.00 0.00 ATOM 244 CD GLU 28 18.848 10.858 11.348 1.00 0.00 ATOM 245 OE1 GLU 28 19.567 9.838 11.586 1.00 0.00 ATOM 246 OE2 GLU 28 18.984 11.577 10.381 1.00 0.00 ATOM 247 O GLU 28 21.229 12.172 15.106 1.00 0.00 ATOM 248 C GLU 28 20.586 11.834 14.115 1.00 0.00 ATOM 249 N ASN 29 21.042 11.985 12.876 1.00 0.00 ATOM 250 CA ASN 29 22.360 12.550 12.623 1.00 0.00 ATOM 251 CB ASN 29 22.651 12.543 11.139 1.00 0.00 ATOM 252 CG ASN 29 23.016 11.156 10.620 1.00 0.00 ATOM 253 ND2 ASN 29 23.178 11.098 9.304 1.00 0.00 ATOM 254 OD1 ASN 29 23.101 10.185 11.393 1.00 0.00 ATOM 255 O ASN 29 21.253 14.613 13.053 1.00 0.00 ATOM 256 C ASN 29 22.322 14.005 13.090 1.00 0.00 ATOM 257 N GLY 30 23.471 14.489 13.435 1.00 0.00 ATOM 258 CA GLY 30 23.572 15.841 13.984 1.00 0.00 ATOM 259 O GLY 30 24.892 17.258 12.549 1.00 0.00 ATOM 260 C GLY 30 23.769 16.854 12.861 1.00 0.00 ATOM 261 N ALA 31 22.656 17.257 12.260 1.00 0.00 ATOM 262 CA ALA 31 22.656 18.230 11.175 1.00 0.00 ATOM 263 CB ALA 31 22.261 17.554 9.870 1.00 0.00 ATOM 264 O ALA 31 20.656 19.541 10.813 1.00 0.00 ATOM 265 C ALA 31 21.638 19.328 11.532 1.00 0.00 ATOM 266 N PRO 32 21.878 20.044 12.652 1.00 0.00 ATOM 267 CA PRO 32 21.032 21.121 13.182 1.00 0.00 ATOM 268 CB PRO 32 21.528 21.309 14.617 1.00 0.00 ATOM 269 CG PRO 32 22.976 20.954 14.561 1.00 0.00 ATOM 270 CD PRO 32 23.089 19.813 13.589 1.00 0.00 ATOM 271 O PRO 32 22.227 22.793 11.878 1.00 0.00 ATOM 272 C PRO 32 21.146 22.435 12.427 1.00 0.00 ATOM 273 N GLU 33 19.908 23.094 12.353 1.00 0.00 ATOM 274 CA GLU 33 19.835 24.449 11.845 1.00 0.00 ATOM 275 CB GLU 33 18.781 24.482 10.733 1.00 0.00 ATOM 276 CG GLU 33 19.059 23.499 9.603 1.00 0.00 ATOM 277 CD GLU 33 17.920 23.561 8.595 1.00 0.00 ATOM 278 OE1 GLU 33 17.694 24.692 8.084 1.00 0.00 ATOM 279 OE2 GLU 33 17.341 22.469 8.409 1.00 0.00 ATOM 280 O GLU 33 18.638 24.936 13.843 1.00 0.00 ATOM 281 C GLU 33 19.619 25.210 13.139 1.00 0.00 ATOM 282 N THR 34 20.537 26.068 13.502 1.00 0.00 ATOM 283 CA THR 34 20.417 26.817 14.745 1.00 0.00 ATOM 284 CB THR 34 21.749 26.913 15.511 1.00 0.00 ATOM 285 CG2 THR 34 21.585 27.769 16.758 1.00 0.00 ATOM 286 OG1 THR 34 22.176 25.602 15.900 1.00 0.00 ATOM 287 O THR 34 20.638 28.879 13.637 1.00 0.00 ATOM 288 C THR 34 19.987 28.216 14.418 1.00 0.00 ATOM 289 N LYS 35 18.766 28.666 14.910 1.00 0.00 ATOM 290 CA LYS 35 18.203 29.995 14.709 1.00 0.00 ATOM 291 CB LYS 35 16.736 29.950 14.253 1.00 0.00 ATOM 292 CG LYS 35 16.432 29.264 12.954 1.00 0.00 ATOM 293 CD LYS 35 16.978 29.965 11.730 1.00 0.00 ATOM 294 CE LYS 35 16.560 29.208 10.463 1.00 0.00 ATOM 295 NZ LYS 35 17.242 29.753 9.265 1.00 0.00 ATOM 296 O LYS 35 18.124 30.188 17.096 1.00 0.00 ATOM 297 C LYS 35 18.383 30.739 16.028 1.00 0.00 ATOM 298 N VAL 36 18.837 31.997 15.942 1.00 0.00 ATOM 299 CA VAL 36 19.068 32.818 17.120 1.00 0.00 ATOM 300 CB VAL 36 20.540 33.258 17.223 1.00 0.00 ATOM 301 CG1 VAL 36 20.743 34.161 18.431 1.00 0.00 ATOM 302 CG2 VAL 36 21.448 32.046 17.373 1.00 0.00 ATOM 303 O VAL 36 18.200 34.801 16.077 1.00 0.00 ATOM 304 C VAL 36 18.223 34.092 17.085 1.00 0.00 ATOM 305 N ASP 37 17.516 34.373 18.176 1.00 0.00 ATOM 306 CA ASP 37 16.713 35.586 18.274 1.00 0.00 ATOM 307 CB ASP 37 15.226 35.235 18.347 1.00 0.00 ATOM 308 CG ASP 37 14.335 36.460 18.321 1.00 0.00 ATOM 309 OD1 ASP 37 14.874 37.586 18.350 1.00 0.00 ATOM 310 OD2 ASP 37 13.098 36.295 18.272 1.00 0.00 ATOM 311 O ASP 37 17.264 35.720 20.626 1.00 0.00 ATOM 312 C ASP 37 17.158 36.320 19.552 1.00 0.00 ATOM 313 N VAL 38 17.401 37.615 19.437 1.00 0.00 ATOM 314 CA VAL 38 17.849 38.409 20.568 1.00 0.00 ATOM 315 CB VAL 38 19.241 39.018 20.323 1.00 0.00 ATOM 316 CG1 VAL 38 19.654 39.893 21.498 1.00 0.00 ATOM 317 CG2 VAL 38 20.281 37.921 20.152 1.00 0.00 ATOM 318 O VAL 38 16.421 40.208 19.874 1.00 0.00 ATOM 319 C VAL 38 16.892 39.567 20.816 1.00 0.00 ATOM 320 N ASN 39 16.646 39.822 22.067 1.00 0.00 ATOM 321 CA ASN 39 15.755 40.920 22.432 1.00 0.00 ATOM 322 CB ASN 39 14.359 40.366 22.727 1.00 0.00 ATOM 323 CG ASN 39 13.741 39.677 21.525 1.00 0.00 ATOM 324 ND2 ASN 39 13.759 38.350 21.533 1.00 0.00 ATOM 325 OD1 ASN 39 13.256 40.332 20.603 1.00 0.00 ATOM 326 O ASN 39 16.887 40.954 24.546 1.00 0.00 ATOM 327 C ASN 39 16.314 41.600 23.668 1.00 0.00 ATOM 328 N PHE 40 16.163 42.917 23.706 1.00 0.00 ATOM 329 CA PHE 40 16.675 43.742 24.787 1.00 0.00 ATOM 330 CB PHE 40 17.836 44.609 24.296 1.00 0.00 ATOM 331 CG PHE 40 19.018 43.821 23.812 1.00 0.00 ATOM 332 CD1 PHE 40 19.146 43.486 22.475 1.00 0.00 ATOM 333 CD2 PHE 40 20.004 43.414 24.695 1.00 0.00 ATOM 334 CE1 PHE 40 20.236 42.761 22.030 1.00 0.00 ATOM 335 CE2 PHE 40 21.093 42.688 24.250 1.00 0.00 ATOM 336 CZ PHE 40 21.211 42.361 22.924 1.00 0.00 ATOM 337 O PHE 40 14.884 45.309 24.538 1.00 0.00 ATOM 338 C PHE 40 15.613 44.701 25.316 1.00 0.00 ATOM 339 N GLN 41 15.527 44.724 26.704 1.00 0.00 ATOM 340 CA GLN 41 14.661 45.736 27.325 1.00 0.00 ATOM 341 CB GLN 41 13.403 44.964 27.723 1.00 0.00 ATOM 342 CG GLN 41 12.307 45.829 28.326 1.00 0.00 ATOM 343 CD GLN 41 11.044 45.046 28.624 1.00 0.00 ATOM 344 OE1 GLN 41 10.969 43.846 28.363 1.00 0.00 ATOM 345 NE2 GLN 41 10.046 45.725 29.177 1.00 0.00 ATOM 346 O GLN 41 15.835 45.629 29.412 1.00 0.00 ATOM 347 C GLN 41 15.285 46.342 28.575 1.00 0.00 ATOM 348 N LEU 42 15.165 47.654 28.709 1.00 0.00 ATOM 349 CA LEU 42 15.696 48.333 29.865 1.00 0.00 ATOM 350 CB LEU 42 16.691 49.414 29.444 1.00 0.00 ATOM 351 CG LEU 42 17.857 48.955 28.565 1.00 0.00 ATOM 352 CD1 LEU 42 18.727 50.149 28.207 1.00 0.00 ATOM 353 CD2 LEU 42 18.668 47.898 29.310 1.00 0.00 ATOM 354 O LEU 42 13.820 49.819 30.035 1.00 0.00 ATOM 355 C LEU 42 14.664 49.148 30.631 1.00 0.00 ATOM 356 N LEU 43 14.788 49.163 31.953 1.00 0.00 ATOM 357 CA LEU 43 13.874 49.908 32.808 1.00 0.00 ATOM 358 CB LEU 43 12.943 48.952 33.561 1.00 0.00 ATOM 359 CG LEU 43 12.065 48.185 32.590 1.00 0.00 ATOM 360 CD1 LEU 43 11.239 47.162 33.337 1.00 0.00 ATOM 361 CD2 LEU 43 11.157 49.121 31.805 1.00 0.00 ATOM 362 O LEU 43 15.434 50.067 34.636 1.00 0.00 ATOM 363 C LEU 43 14.522 50.625 34.010 1.00 0.00 ATOM 364 N GLN 44 14.024 51.786 34.272 1.00 0.00 ATOM 365 CA GLN 44 14.470 52.491 35.505 1.00 0.00 ATOM 366 CB GLN 44 14.207 53.992 35.365 1.00 0.00 ATOM 367 CG GLN 44 14.830 54.837 36.464 1.00 0.00 ATOM 368 CD GLN 44 14.598 56.321 36.260 1.00 0.00 ATOM 369 OE1 GLN 44 14.017 56.736 35.258 1.00 0.00 ATOM 370 NE2 GLN 44 15.053 57.126 37.214 1.00 0.00 ATOM 371 O GLN 44 12.620 51.577 36.776 1.00 0.00 ATOM 372 C GLN 44 13.830 51.849 36.747 1.00 0.00 ATOM 373 N HIS 45 14.645 51.475 37.843 1.00 0.00 ATOM 374 CA HIS 45 14.165 50.916 39.110 1.00 0.00 ATOM 375 CB HIS 45 14.898 49.670 39.506 1.00 0.00 ATOM 376 CG HIS 45 14.521 48.515 38.639 1.00 0.00 ATOM 377 CD2 HIS 45 15.154 47.947 37.587 1.00 0.00 ATOM 378 ND1 HIS 45 13.311 47.866 38.758 1.00 0.00 ATOM 379 CE1 HIS 45 13.234 46.920 37.840 1.00 0.00 ATOM 380 NE2 HIS 45 14.338 46.950 37.115 1.00 0.00 ATOM 381 O HIS 45 13.151 52.156 40.878 1.00 0.00 ATOM 382 C HIS 45 14.100 52.054 40.102 1.00 0.00 ATOM 383 N ASP 46 15.101 52.922 40.038 1.00 0.00 ATOM 384 CA ASP 46 15.201 54.072 40.922 1.00 0.00 ATOM 385 CB ASP 46 15.883 53.590 42.204 1.00 0.00 ATOM 386 CG ASP 46 15.603 54.494 43.388 1.00 0.00 ATOM 387 OD1 ASP 46 14.909 55.515 43.205 1.00 0.00 ATOM 388 OD2 ASP 46 16.078 54.181 44.500 1.00 0.00 ATOM 389 O ASP 46 17.011 54.671 39.492 1.00 0.00 ATOM 390 C ASP 46 16.225 55.046 40.370 1.00 0.00 ATOM 391 N GLN 47 16.123 56.348 40.798 1.00 0.00 ATOM 392 CA GLN 47 17.045 57.310 40.221 1.00 0.00 ATOM 393 CB GLN 47 16.083 58.696 40.653 1.00 0.00 ATOM 394 CG GLN 47 14.637 58.474 41.035 1.00 0.00 ATOM 395 CD GLN 47 13.940 59.710 41.531 1.00 0.00 ATOM 396 OE1 GLN 47 14.186 60.198 42.629 1.00 0.00 ATOM 397 NE2 GLN 47 13.011 60.223 40.718 1.00 0.00 ATOM 398 O GLN 47 19.352 57.911 40.302 1.00 0.00 ATOM 399 C GLN 47 18.414 57.348 40.864 1.00 0.00 ATOM 400 N GLU 48 18.482 56.806 42.078 1.00 0.00 ATOM 401 CA GLU 48 19.722 56.774 42.827 1.00 0.00 ATOM 402 CB GLU 48 19.467 56.200 44.225 1.00 0.00 ATOM 403 CG GLU 48 18.605 57.093 45.109 1.00 0.00 ATOM 404 CD GLU 48 18.332 56.455 46.457 1.00 0.00 ATOM 405 OE1 GLU 48 17.405 55.630 46.574 1.00 0.00 ATOM 406 OE2 GLU 48 19.068 56.782 47.420 1.00 0.00 ATOM 407 O GLU 48 21.941 56.305 42.015 1.00 0.00 ATOM 408 C GLU 48 20.781 55.929 42.121 1.00 0.00 ATOM 409 N ASN 49 19.933 56.099 40.193 1.00 0.00 ATOM 410 CA ASN 49 20.557 55.724 38.932 1.00 0.00 ATOM 411 CB ASN 49 21.781 56.419 38.670 1.00 0.00 ATOM 412 CG ASN 49 21.330 57.643 37.887 1.00 0.00 ATOM 413 ND2 ASN 49 21.573 58.874 38.350 1.00 0.00 ATOM 414 OD1 ASN 49 20.679 57.476 36.824 1.00 0.00 ATOM 415 O ASN 49 21.391 53.680 37.982 1.00 0.00 ATOM 416 C ASN 49 20.546 54.213 38.710 1.00 0.00 ATOM 417 N GLN 50 19.572 53.530 39.306 1.00 0.00 ATOM 418 CA GLN 50 19.487 52.098 39.233 1.00 0.00 ATOM 419 CB GLN 50 18.901 51.672 40.581 1.00 0.00 ATOM 420 CG GLN 50 19.766 52.039 41.776 1.00 0.00 ATOM 421 CD GLN 50 19.178 51.559 43.089 1.00 0.00 ATOM 422 OE1 GLN 50 18.105 50.954 43.115 1.00 0.00 ATOM 423 NE2 GLN 50 19.879 51.829 44.184 1.00 0.00 ATOM 424 O GLN 50 17.426 51.910 37.998 1.00 0.00 ATOM 425 C GLN 50 18.623 51.601 38.082 1.00 0.00 ATOM 426 N VAL 51 19.252 50.872 37.170 1.00 0.00 ATOM 427 CA VAL 51 18.557 50.375 36.001 1.00 0.00 ATOM 428 CB VAL 51 19.120 50.967 34.696 1.00 0.00 ATOM 429 CG1 VAL 51 18.919 52.475 34.664 1.00 0.00 ATOM 430 CG2 VAL 51 20.608 50.676 34.576 1.00 0.00 ATOM 431 O VAL 51 19.610 48.238 36.214 1.00 0.00 ATOM 432 C VAL 51 18.627 48.868 35.846 1.00 0.00 ATOM 433 N THR 52 17.573 48.300 35.281 1.00 0.00 ATOM 434 CA THR 52 17.554 46.879 35.009 1.00 0.00 ATOM 435 CB THR 52 16.244 46.225 35.486 1.00 0.00 ATOM 436 CG2 THR 52 16.248 44.737 35.177 1.00 0.00 ATOM 437 OG1 THR 52 16.106 46.404 36.902 1.00 0.00 ATOM 438 O THR 52 16.917 47.363 32.747 1.00 0.00 ATOM 439 C THR 52 17.624 46.687 33.499 1.00 0.00 ATOM 440 N SER 53 18.541 45.830 33.034 1.00 0.00 ATOM 441 CA SER 53 18.673 45.519 31.616 1.00 0.00 ATOM 442 CB SER 53 20.094 45.852 31.154 1.00 0.00 ATOM 443 OG SER 53 20.253 45.595 29.769 1.00 0.00 ATOM 444 O SER 53 18.951 43.273 32.346 1.00 0.00 ATOM 445 C SER 53 18.427 44.045 31.533 1.00 0.00 ATOM 446 N LEU 54 17.520 43.694 30.538 1.00 0.00 ATOM 447 CA LEU 54 17.212 42.265 30.356 1.00 0.00 ATOM 448 CB LEU 54 15.737 41.964 30.632 1.00 0.00 ATOM 449 CG LEU 54 15.291 40.516 30.416 1.00 0.00 ATOM 450 CD1 LEU 54 15.952 39.593 31.430 1.00 0.00 ATOM 451 CD2 LEU 54 13.782 40.391 30.573 1.00 0.00 ATOM 452 O LEU 54 17.075 42.489 28.002 1.00 0.00 ATOM 453 C LEU 54 17.525 41.856 28.934 1.00 0.00 ATOM 454 N ILE 55 18.309 40.802 28.767 1.00 0.00 ATOM 455 CA ILE 55 18.644 40.344 27.441 1.00 0.00 ATOM 456 CB ILE 55 20.169 40.225 27.262 1.00 0.00 ATOM 457 CG1 ILE 55 20.839 41.584 27.472 1.00 0.00 ATOM 458 CG2 ILE 55 20.504 39.733 25.863 1.00 0.00 ATOM 459 CD1 ILE 55 22.349 41.518 27.526 1.00 0.00 ATOM 460 O ILE 55 18.223 38.148 28.194 1.00 0.00 ATOM 461 C ILE 55 17.969 38.994 27.359 1.00 0.00 ATOM 462 N VAL 56 17.169 38.835 26.357 1.00 0.00 ATOM 463 CA VAL 56 16.545 37.555 26.065 1.00 0.00 ATOM 464 CB VAL 56 15.032 37.700 25.820 1.00 0.00 ATOM 465 CG1 VAL 56 14.400 36.339 25.568 1.00 0.00 ATOM 466 CG2 VAL 56 14.353 38.329 27.028 1.00 0.00 ATOM 467 O VAL 56 17.282 37.537 23.794 1.00 0.00 ATOM 468 C VAL 56 17.208 36.927 24.854 1.00 0.00 ATOM 469 N ILE 57 17.698 35.714 25.028 1.00 0.00 ATOM 470 CA ILE 57 18.335 35.012 23.945 1.00 0.00 ATOM 471 CB ILE 57 19.792 34.648 24.285 1.00 0.00 ATOM 472 CG1 ILE 57 20.610 35.916 24.548 1.00 0.00 ATOM 473 CG2 ILE 57 20.434 33.890 23.135 1.00 0.00 ATOM 474 CD1 ILE 57 21.989 35.646 25.110 1.00 0.00 ATOM 475 O ILE 57 17.364 32.936 24.624 1.00 0.00 ATOM 476 C ILE 57 17.549 33.750 23.711 1.00 0.00 ATOM 477 N LEU 58 17.075 33.582 22.479 1.00 0.00 ATOM 478 CA LEU 58 16.298 32.392 22.133 1.00 0.00 ATOM 479 CB LEU 58 14.930 32.800 21.583 1.00 0.00 ATOM 480 CG LEU 58 14.034 33.607 22.524 1.00 0.00 ATOM 481 CD1 LEU 58 12.769 34.056 21.809 1.00 0.00 ATOM 482 CD2 LEU 58 13.628 32.770 23.728 1.00 0.00 ATOM 483 O LEU 58 17.510 32.169 20.078 1.00 0.00 ATOM 484 C LEU 58 17.062 31.612 21.084 1.00 0.00 ATOM 485 N SER 59 17.207 30.320 21.325 1.00 0.00 ATOM 486 CA SER 59 17.937 29.451 20.413 1.00 0.00 ATOM 487 CB SER 59 19.230 28.953 21.062 1.00 0.00 ATOM 488 OG SER 59 19.944 28.097 20.186 1.00 0.00 ATOM 489 O SER 59 16.497 27.619 20.925 1.00 0.00 ATOM 490 C SER 59 17.077 28.262 20.052 1.00 0.00 ATOM 491 N PHE 60 16.993 27.990 18.754 1.00 0.00 ATOM 492 CA PHE 60 16.200 26.887 18.229 1.00 0.00 ATOM 493 CB PHE 60 15.020 27.413 17.411 1.00 0.00 ATOM 494 CG PHE 60 14.063 28.260 18.202 1.00 0.00 ATOM 495 CD1 PHE 60 14.207 29.637 18.245 1.00 0.00 ATOM 496 CD2 PHE 60 13.020 27.680 18.903 1.00 0.00 ATOM 497 CE1 PHE 60 13.327 30.414 18.973 1.00 0.00 ATOM 498 CE2 PHE 60 12.141 28.459 19.632 1.00 0.00 ATOM 499 CZ PHE 60 12.290 29.821 19.668 1.00 0.00 ATOM 500 O PHE 60 17.759 26.556 16.444 1.00 0.00 ATOM 501 C PHE 60 17.090 26.038 17.332 1.00 0.00 ATOM 502 N MET 61 17.098 24.735 17.556 1.00 0.00 ATOM 503 CA MET 61 17.913 23.855 16.742 1.00 0.00 ATOM 504 CB MET 61 19.004 23.207 17.598 1.00 0.00 ATOM 505 CG MET 61 19.972 22.336 16.814 1.00 0.00 ATOM 506 SD MET 61 21.260 21.619 17.851 1.00 0.00 ATOM 507 CE MET 61 22.251 23.068 18.209 1.00 0.00 ATOM 508 O MET 61 16.268 22.112 16.891 1.00 0.00 ATOM 509 C MET 61 17.011 22.786 16.162 1.00 0.00 ATOM 510 N ILE 62 17.067 22.635 14.844 1.00 0.00 ATOM 511 CA ILE 62 16.236 21.649 14.172 1.00 0.00 ATOM 512 CB ILE 62 15.147 22.321 13.313 1.00 0.00 ATOM 513 CG1 ILE 62 15.785 23.207 12.243 1.00 0.00 ATOM 514 CG2 ILE 62 14.243 23.184 14.177 1.00 0.00 ATOM 515 CD1 ILE 62 14.797 23.755 11.235 1.00 0.00 ATOM 516 O ILE 62 17.801 21.266 12.376 1.00 0.00 ATOM 517 C ILE 62 16.955 20.801 13.131 1.00 0.00 ATOM 518 N VAL 63 16.555 19.619 13.056 1.00 0.00 ATOM 519 CA VAL 63 17.071 18.627 12.122 1.00 0.00 ATOM 520 CB VAL 63 17.573 17.367 12.857 1.00 0.00 ATOM 521 CG1 VAL 63 17.952 16.281 11.866 1.00 0.00 ATOM 522 CG2 VAL 63 18.764 17.714 13.730 1.00 0.00 ATOM 523 O VAL 63 15.106 17.430 11.347 1.00 0.00 ATOM 524 C VAL 63 15.932 18.336 11.132 1.00 0.00 ATOM 525 N PHE 64 15.930 19.366 10.189 1.00 0.00 ATOM 526 CA PHE 64 14.883 19.335 9.154 1.00 0.00 ATOM 527 CB PHE 64 14.677 17.866 8.777 1.00 0.00 ATOM 528 CG PHE 64 15.884 17.226 8.153 1.00 0.00 ATOM 529 CD1 PHE 64 16.746 16.453 8.910 1.00 0.00 ATOM 530 CD2 PHE 64 16.156 17.395 6.807 1.00 0.00 ATOM 531 CE1 PHE 64 17.855 15.864 8.336 1.00 0.00 ATOM 532 CE2 PHE 64 17.266 16.806 6.232 1.00 0.00 ATOM 533 CZ PHE 64 18.114 16.043 6.991 1.00 0.00 ATOM 534 O PHE 64 13.451 21.137 9.813 1.00 0.00 ATOM 535 C PHE 64 13.577 19.919 9.648 1.00 0.00 ATOM 536 N ASP 65 12.604 19.051 9.901 1.00 0.00 ATOM 537 CA ASP 65 11.295 19.479 10.393 1.00 0.00 ATOM 538 CB ASP 65 10.183 18.848 9.552 1.00 0.00 ATOM 539 CG ASP 65 10.171 17.335 9.646 1.00 0.00 ATOM 540 OD1 ASP 65 11.035 16.777 10.354 1.00 0.00 ATOM 541 OD2 ASP 65 9.298 16.708 9.010 1.00 0.00 ATOM 542 O ASP 65 10.203 19.371 12.507 1.00 0.00 ATOM 543 C ASP 65 11.190 19.036 11.846 1.00 0.00 ATOM 544 N LYS 66 12.128 18.270 12.345 1.00 0.00 ATOM 545 CA LYS 66 12.108 17.798 13.719 1.00 0.00 ATOM 546 CB LYS 66 12.649 16.367 13.764 1.00 0.00 ATOM 547 CG LYS 66 11.784 15.354 13.035 1.00 0.00 ATOM 548 CD LYS 66 12.380 13.958 13.117 1.00 0.00 ATOM 549 CE LYS 66 11.486 12.934 12.435 1.00 0.00 ATOM 550 NZ LYS 66 12.039 11.556 12.540 1.00 0.00 ATOM 551 O LYS 66 14.216 18.747 14.396 1.00 0.00 ATOM 552 C LYS 66 12.995 18.696 14.584 1.00 0.00 ATOM 553 N PHE 67 12.372 19.421 15.512 1.00 0.00 ATOM 554 CA PHE 67 13.106 20.305 16.416 1.00 0.00 ATOM 555 CB PHE 67 12.223 20.830 17.381 1.00 0.00 ATOM 556 CG PHE 67 12.133 22.255 16.913 1.00 0.00 ATOM 557 CD1 PHE 67 13.083 23.189 17.310 1.00 0.00 ATOM 558 CD2 PHE 67 11.112 22.660 16.050 1.00 0.00 ATOM 559 CE1 PHE 67 13.022 24.503 16.852 1.00 0.00 ATOM 560 CE2 PHE 67 11.046 23.973 15.587 1.00 0.00 ATOM 561 CZ PHE 67 12.001 24.895 15.988 1.00 0.00 ATOM 562 O PHE 67 13.555 18.575 18.019 1.00 0.00 ATOM 563 C PHE 67 14.003 19.519 17.375 1.00 0.00 ATOM 564 N VAL 68 15.277 19.903 17.428 1.00 0.00 ATOM 565 CA VAL 68 16.258 19.259 18.300 1.00 0.00 ATOM 566 CB VAL 68 17.698 19.520 17.819 1.00 0.00 ATOM 567 CG1 VAL 68 18.702 18.957 18.813 1.00 0.00 ATOM 568 CG2 VAL 68 17.937 18.863 16.470 1.00 0.00 ATOM 569 O VAL 68 15.933 19.080 20.662 1.00 0.00 ATOM 570 C VAL 68 16.089 19.826 19.706 1.00 0.00 ATOM 571 N ILE 69 16.108 21.144 19.828 1.00 0.00 ATOM 572 CA ILE 69 15.918 21.755 21.129 1.00 0.00 ATOM 573 CB ILE 69 17.164 21.591 22.018 1.00 0.00 ATOM 574 CG1 ILE 69 16.860 22.037 23.450 1.00 0.00 ATOM 575 CG2 ILE 69 18.312 22.435 21.485 1.00 0.00 ATOM 576 CD1 ILE 69 17.911 21.620 24.455 1.00 0.00 ATOM 577 O ILE 69 16.094 23.889 20.033 1.00 0.00 ATOM 578 C ILE 69 15.628 23.239 20.972 1.00 0.00 ATOM 579 N SER 70 14.880 23.693 22.058 1.00 0.00 ATOM 580 CA SER 70 14.512 25.096 22.167 1.00 0.00 ATOM 581 CB SER 70 13.002 25.343 22.195 1.00 0.00 ATOM 582 OG SER 70 12.713 26.720 22.364 1.00 0.00 ATOM 583 O SER 70 15.029 24.903 24.503 1.00 0.00 ATOM 584 C SER 70 15.150 25.571 23.476 1.00 0.00 ATOM 585 N GLY 71 15.888 26.677 23.413 1.00 0.00 ATOM 586 CA GLY 71 16.559 27.247 24.580 1.00 0.00 ATOM 587 O GLY 71 16.435 29.548 23.852 1.00 0.00 ATOM 588 C GLY 71 16.243 28.727 24.757 1.00 0.00 ATOM 589 N THR 72 15.707 29.159 25.840 1.00 0.00 ATOM 590 CA THR 72 15.436 30.569 26.052 1.00 0.00 ATOM 591 CB THR 72 13.932 30.898 26.059 1.00 0.00 ATOM 592 CG2 THR 72 13.295 30.513 24.733 1.00 0.00 ATOM 593 OG1 THR 72 13.287 30.172 27.112 1.00 0.00 ATOM 594 O THR 72 16.116 30.155 28.325 1.00 0.00 ATOM 595 C THR 72 16.096 30.946 27.388 1.00 0.00 ATOM 596 N ILE 73 16.834 32.139 27.341 1.00 0.00 ATOM 597 CA ILE 73 17.375 32.644 28.596 1.00 0.00 ATOM 598 CB ILE 73 18.886 32.354 28.646 1.00 0.00 ATOM 599 CG1 ILE 73 19.145 30.850 28.529 1.00 0.00 ATOM 600 CG2 ILE 73 19.480 32.845 29.958 1.00 0.00 ATOM 601 CD1 ILE 73 20.610 30.492 28.397 1.00 0.00 ATOM 602 O ILE 73 17.398 34.863 27.728 1.00 0.00 ATOM 603 C ILE 73 17.182 34.135 28.701 1.00 0.00 ATOM 604 N SER 74 16.724 34.570 29.874 1.00 0.00 ATOM 605 CA SER 74 16.516 35.978 30.173 1.00 0.00 ATOM 606 CB SER 74 15.124 36.200 30.768 1.00 0.00 ATOM 607 OG SER 74 14.111 35.857 29.839 1.00 0.00 ATOM 608 O SER 74 17.549 35.898 32.339 1.00 0.00 ATOM 609 C SER 74 17.612 36.295 31.167 1.00 0.00 ATOM 610 N GLN 75 18.641 36.974 30.685 1.00 0.00 ATOM 611 CA GLN 75 19.760 37.334 31.533 1.00 0.00 ATOM 612 CB GLN 75 21.082 37.173 30.781 1.00 0.00 ATOM 613 CG GLN 75 22.307 37.581 31.585 1.00 0.00 ATOM 614 CD GLN 75 22.571 36.656 32.755 1.00 0.00 ATOM 615 OE1 GLN 75 22.663 35.440 32.590 1.00 0.00 ATOM 616 NE2 GLN 75 22.694 37.232 33.946 1.00 0.00 ATOM 617 O GLN 75 19.530 39.661 31.081 1.00 0.00 ATOM 618 C GLN 75 19.572 38.772 31.934 1.00 0.00 ATOM 619 N VAL 76 19.467 39.009 33.091 1.00 0.00 ATOM 620 CA VAL 76 19.276 40.357 33.567 1.00 0.00 ATOM 621 CB VAL 76 18.205 40.423 34.681 1.00 0.00 ATOM 622 CG1 VAL 76 18.064 41.802 35.315 1.00 0.00 ATOM 623 CG2 VAL 76 16.864 39.947 34.117 1.00 0.00 ATOM 624 O VAL 76 21.302 40.141 34.828 1.00 0.00 ATOM 625 C VAL 76 20.424 40.885 34.388 1.00 0.00 ATOM 626 N ASN 77 20.607 42.177 34.429 1.00 0.00 ATOM 627 CA ASN 77 21.637 42.805 35.222 1.00 0.00 ATOM 628 CB ASN 77 22.864 43.094 34.354 1.00 0.00 ATOM 629 CG ASN 77 24.047 43.584 35.164 1.00 0.00 ATOM 630 ND2 ASN 77 25.102 42.779 35.215 1.00 0.00 ATOM 631 OD1 ASN 77 24.012 44.673 35.736 1.00 0.00 ATOM 632 O ASN 77 20.382 44.835 35.162 1.00 0.00 ATOM 633 C ASN 77 21.140 44.112 35.801 1.00 0.00 ATOM 634 N HIS 78 21.546 44.392 37.034 1.00 0.00 ATOM 635 CA HIS 78 21.198 45.640 37.691 1.00 0.00 ATOM 636 CB HIS 78 20.771 45.383 39.137 1.00 0.00 ATOM 637 CG HIS 78 20.441 46.629 39.900 1.00 0.00 ATOM 638 CD2 HIS 78 21.040 47.354 41.011 1.00 0.00 ATOM 639 ND1 HIS 78 19.338 47.405 39.618 1.00 0.00 ATOM 640 CE1 HIS 78 19.308 48.448 40.466 1.00 0.00 ATOM 641 NE2 HIS 78 20.327 48.425 41.304 1.00 0.00 ATOM 642 O HIS 78 23.534 46.099 38.065 1.00 0.00 ATOM 643 C HIS 78 22.441 46.526 37.671 1.00 0.00 ATOM 644 N ILE 79 22.266 47.754 37.191 1.00 0.00 ATOM 645 CA ILE 79 23.357 48.716 37.074 1.00 0.00 ATOM 646 CB ILE 79 23.711 48.951 35.573 1.00 0.00 ATOM 647 CG1 ILE 79 23.952 47.617 34.869 1.00 0.00 ATOM 648 CG2 ILE 79 24.929 49.861 35.433 1.00 0.00 ATOM 649 CD1 ILE 79 24.159 47.741 33.364 1.00 0.00 ATOM 650 O ILE 79 22.055 50.654 37.642 1.00 0.00 ATOM 651 C ILE 79 23.142 50.079 37.733 1.00 0.00 ATOM 652 N ASP 80 24.194 50.586 38.337 1.00 0.00 ATOM 653 CA ASP 80 24.112 51.897 38.973 1.00 0.00 ATOM 654 CB ASP 80 23.349 51.819 40.296 1.00 0.00 ATOM 655 CG ASP 80 22.793 53.161 40.727 1.00 0.00 ATOM 656 OD1 ASP 80 23.020 54.158 40.010 1.00 0.00 ATOM 657 OD2 ASP 80 22.129 53.218 41.785 1.00 0.00 ATOM 658 O ASP 80 26.466 51.606 39.341 1.00 0.00 ATOM 659 C ASP 80 25.524 52.399 39.249 1.00 0.00 ATOM 660 N GLY 81 25.813 53.779 39.160 1.00 0.00 ATOM 661 CA GLY 81 27.152 54.296 39.365 1.00 0.00 ATOM 662 O GLY 81 26.618 56.208 38.011 1.00 0.00 ATOM 663 C GLY 81 27.470 55.597 38.655 1.00 0.00 ATOM 664 N ARG 82 28.720 56.029 38.829 1.00 0.00 ATOM 665 CA ARG 82 29.175 57.254 38.186 1.00 0.00 ATOM 666 CB ARG 82 30.617 57.526 38.641 1.00 0.00 ATOM 667 CG ARG 82 31.257 58.652 37.920 1.00 0.00 ATOM 668 CD ARG 82 32.459 59.186 38.673 1.00 0.00 ATOM 669 NE ARG 82 33.388 58.135 39.001 1.00 0.00 ATOM 670 CZ ARG 82 34.307 58.201 39.952 1.00 0.00 ATOM 671 NH1 ARG 82 34.456 59.298 40.693 1.00 0.00 ATOM 672 NH2 ARG 82 35.110 57.156 40.099 1.00 0.00 ATOM 673 O ARG 82 28.776 58.220 36.027 1.00 0.00 ATOM 674 C ARG 82 29.113 57.218 36.665 1.00 0.00 ATOM 675 N ILE 83 29.442 56.069 36.073 1.00 0.00 ATOM 676 CA ILE 83 29.396 55.925 34.626 1.00 0.00 ATOM 677 CB ILE 83 30.004 54.652 34.085 1.00 0.00 ATOM 678 CG1 ILE 83 30.112 54.829 32.592 1.00 0.00 ATOM 679 CG2 ILE 83 29.210 53.367 34.425 1.00 0.00 ATOM 680 CD1 ILE 83 31.055 55.944 32.253 1.00 0.00 ATOM 681 O ILE 83 27.641 56.748 33.212 1.00 0.00 ATOM 682 C ILE 83 27.944 56.049 34.180 1.00 0.00 ATOM 683 N VAL 84 27.036 55.406 34.918 1.00 0.00 ATOM 684 CA VAL 84 25.619 55.471 34.583 1.00 0.00 ATOM 685 CB VAL 84 24.844 54.499 35.570 1.00 0.00 ATOM 686 CG1 VAL 84 23.356 54.618 35.443 1.00 0.00 ATOM 687 CG2 VAL 84 25.328 53.073 35.325 1.00 0.00 ATOM 688 O VAL 84 24.351 57.345 33.779 1.00 0.00 ATOM 689 C VAL 84 25.108 56.908 34.646 1.00 0.00 ATOM 690 N ASN 85 25.564 57.629 35.650 1.00 0.00 ATOM 691 CA ASN 85 25.132 59.014 35.770 1.00 0.00 ATOM 692 CB ASN 85 25.804 59.714 36.933 1.00 0.00 ATOM 693 CG ASN 85 25.296 59.241 38.285 1.00 0.00 ATOM 694 ND2 ASN 85 26.075 59.538 39.303 1.00 0.00 ATOM 695 OD1 ASN 85 24.171 58.684 38.377 1.00 0.00 ATOM 696 O ASN 85 24.509 60.489 33.976 1.00 0.00 ATOM 697 C ASN 85 25.411 59.804 34.494 1.00 0.00 ATOM 698 N GLU 86 26.640 59.675 33.954 1.00 0.00 ATOM 699 CA GLU 86 26.947 60.348 32.714 1.00 0.00 ATOM 700 CB GLU 86 28.442 60.245 32.422 1.00 0.00 ATOM 701 CG GLU 86 28.906 61.083 31.219 1.00 0.00 ATOM 702 CD GLU 86 28.780 62.579 31.440 1.00 0.00 ATOM 703 OE1 GLU 86 28.522 63.027 32.588 1.00 0.00 ATOM 704 OE2 GLU 86 28.961 63.315 30.460 1.00 0.00 ATOM 705 O GLU 86 25.754 60.566 30.640 1.00 0.00 ATOM 706 C GLU 86 26.145 59.813 31.531 1.00 0.00 ATOM 707 N PRO 87 24.749 61.226 30.654 1.00 0.00 ATOM 708 CA PRO 87 23.335 61.232 30.293 1.00 0.00 ATOM 709 CB PRO 87 22.788 62.498 30.955 1.00 0.00 ATOM 710 CG PRO 87 23.965 63.411 31.044 1.00 0.00 ATOM 711 CD PRO 87 25.158 62.532 31.293 1.00 0.00 ATOM 712 O PRO 87 24.039 61.147 27.982 1.00 0.00 ATOM 713 C PRO 87 23.109 61.305 28.778 1.00 0.00 ATOM 714 N SER 88 21.861 61.547 28.392 1.00 0.00 ATOM 715 CA SER 88 21.525 61.632 26.985 1.00 0.00 ATOM 716 CB SER 88 22.218 62.821 26.317 1.00 0.00 ATOM 717 OG SER 88 21.741 63.013 24.997 1.00 0.00 ATOM 718 O SER 88 21.748 59.261 26.664 1.00 0.00 ATOM 719 C SER 88 21.932 60.394 26.209 1.00 0.00 ATOM 720 N GLU 89 22.514 60.612 25.034 1.00 0.00 ATOM 721 CA GLU 89 22.951 59.512 24.192 1.00 0.00 ATOM 722 CB GLU 89 23.535 60.040 22.879 1.00 0.00 ATOM 723 CG GLU 89 22.502 60.635 21.937 1.00 0.00 ATOM 724 CD GLU 89 23.128 61.258 20.706 1.00 0.00 ATOM 725 OE1 GLU 89 24.375 61.291 20.625 1.00 0.00 ATOM 726 OE2 GLU 89 22.373 61.715 19.820 1.00 0.00 ATOM 727 O GLU 89 24.071 57.469 24.746 1.00 0.00 ATOM 728 C GLU 89 24.026 58.687 24.896 1.00 0.00 ATOM 729 N LEU 90 24.881 59.347 25.670 1.00 0.00 ATOM 730 CA LEU 90 25.948 58.647 26.383 1.00 0.00 ATOM 731 CB LEU 90 26.726 59.619 27.271 1.00 0.00 ATOM 732 CG LEU 90 27.628 60.624 26.549 1.00 0.00 ATOM 733 CD1 LEU 90 28.171 61.656 27.526 1.00 0.00 ATOM 734 CD2 LEU 90 28.807 59.916 25.899 1.00 0.00 ATOM 735 O LEU 90 25.712 56.384 27.175 1.00 0.00 ATOM 736 C LEU 90 25.345 57.555 27.267 1.00 0.00 ATOM 737 N ASN 91 24.410 57.954 28.120 1.00 0.00 ATOM 738 CA ASN 91 23.751 57.019 29.016 1.00 0.00 ATOM 739 CB ASN 91 22.797 57.761 29.957 1.00 0.00 ATOM 740 CG ASN 91 22.189 56.849 31.003 1.00 0.00 ATOM 741 ND2 ASN 91 20.869 56.699 30.959 1.00 0.00 ATOM 742 OD1 ASN 91 22.896 56.289 31.841 1.00 0.00 ATOM 743 O ASN 91 22.871 54.820 28.569 1.00 0.00 ATOM 744 C ASN 91 22.945 56.003 28.211 1.00 0.00 ATOM 745 N GLN 92 22.331 56.469 27.021 1.00 0.00 ATOM 746 CA GLN 92 21.554 55.570 26.176 1.00 0.00 ATOM 747 CB GLN 92 20.949 56.333 24.995 1.00 0.00 ATOM 748 CG GLN 92 19.831 57.287 25.381 1.00 0.00 ATOM 749 CD GLN 92 19.334 58.107 24.207 1.00 0.00 ATOM 750 OE1 GLN 92 19.885 58.032 23.107 1.00 0.00 ATOM 751 NE2 GLN 92 18.289 58.894 24.435 1.00 0.00 ATOM 752 O GLN 92 22.008 53.302 25.515 1.00 0.00 ATOM 753 C GLN 92 22.440 54.454 25.634 1.00 0.00 ATOM 754 N GLU 93 23.679 54.807 25.300 1.00 0.00 ATOM 755 CA GLU 93 24.631 53.840 24.760 1.00 0.00 ATOM 756 CB GLU 93 25.884 54.553 24.248 1.00 0.00 ATOM 757 CG GLU 93 25.658 55.382 22.995 1.00 0.00 ATOM 758 CD GLU 93 26.889 56.169 22.588 1.00 0.00 ATOM 759 OE1 GLU 93 27.895 56.123 23.327 1.00 0.00 ATOM 760 OE2 GLU 93 26.846 56.835 21.531 1.00 0.00 ATOM 761 O GLU 93 25.188 51.645 25.579 1.00 0.00 ATOM 762 C GLU 93 25.047 52.842 25.831 1.00 0.00 ATOM 763 N GLU 94 25.267 53.363 27.026 1.00 0.00 ATOM 764 CA GLU 94 25.674 52.547 28.153 1.00 0.00 ATOM 765 CB GLU 94 25.868 53.412 29.399 1.00 0.00 ATOM 766 CG GLU 94 26.356 52.646 30.617 1.00 0.00 ATOM 767 CD GLU 94 26.592 53.543 31.815 1.00 0.00 ATOM 768 OE1 GLU 94 26.392 54.769 31.687 1.00 0.00 ATOM 769 OE2 GLU 94 26.978 53.021 32.882 1.00 0.00 ATOM 770 O GLU 94 24.991 50.335 28.822 1.00 0.00 ATOM 771 C GLU 94 24.638 51.473 28.508 1.00 0.00 ATOM 772 N VAL 95 23.360 51.845 28.460 1.00 0.00 ATOM 773 CA VAL 95 22.291 50.915 28.792 1.00 0.00 ATOM 774 CB VAL 95 21.003 51.654 29.201 1.00 0.00 ATOM 775 CG1 VAL 95 21.271 52.580 30.377 1.00 0.00 ATOM 776 CG2 VAL 95 20.475 52.486 28.044 1.00 0.00 ATOM 777 O VAL 95 22.070 48.750 27.734 1.00 0.00 ATOM 778 C VAL 95 22.092 49.991 27.609 1.00 0.00 ATOM 779 N GLU 96 21.884 50.431 26.251 1.00 0.00 ATOM 780 CA GLU 96 21.505 49.620 25.088 1.00 0.00 ATOM 781 CB GLU 96 20.910 50.518 24.001 1.00 0.00 ATOM 782 CG GLU 96 19.585 51.158 24.381 1.00 0.00 ATOM 783 CD GLU 96 19.031 52.045 23.284 1.00 0.00 ATOM 784 OE1 GLU 96 19.672 52.139 22.216 1.00 0.00 ATOM 785 OE2 GLU 96 17.956 52.646 23.493 1.00 0.00 ATOM 786 O GLU 96 22.354 47.601 24.098 1.00 0.00 ATOM 787 C GLU 96 22.630 48.698 24.581 1.00 0.00 ATOM 788 N THR 97 23.875 49.193 24.599 1.00 0.00 ATOM 789 CA THR 97 25.025 48.556 24.023 1.00 0.00 ATOM 790 CB THR 97 25.773 49.528 23.089 1.00 0.00 ATOM 791 CG2 THR 97 26.908 48.810 22.374 1.00 0.00 ATOM 792 OG1 THR 97 24.864 50.048 22.111 1.00 0.00 ATOM 793 O THR 97 26.381 46.860 25.056 1.00 0.00 ATOM 794 C THR 97 26.083 48.055 25.008 1.00 0.00 ATOM 795 N LEU 98 26.603 48.951 25.819 1.00 0.00 ATOM 796 CA LEU 98 27.636 48.574 26.777 1.00 0.00 ATOM 797 CB LEU 98 28.047 49.762 27.648 1.00 0.00 ATOM 798 CG LEU 98 29.098 49.459 28.725 1.00 0.00 ATOM 799 CD1 LEU 98 30.402 49.025 28.068 1.00 0.00 ATOM 800 CD2 LEU 98 29.333 50.699 29.588 1.00 0.00 ATOM 801 O LEU 98 27.808 46.494 27.934 1.00 0.00 ATOM 802 C LEU 98 27.166 47.521 27.767 1.00 0.00 ATOM 803 N ALA 99 26.055 47.777 28.443 1.00 0.00 ATOM 804 CA ALA 99 25.543 46.854 29.445 1.00 0.00 ATOM 805 CB ALA 99 24.273 47.388 30.090 1.00 0.00 ATOM 806 O ALA 99 25.626 44.460 29.451 1.00 0.00 ATOM 807 C ALA 99 25.221 45.473 28.880 1.00 0.00 ATOM 808 N ARG 100 24.472 45.434 27.785 1.00 0.00 ATOM 809 CA ARG 100 24.126 44.142 27.203 1.00 0.00 ATOM 810 CB ARG 100 23.228 44.264 25.971 1.00 0.00 ATOM 811 CG ARG 100 23.906 44.901 24.769 1.00 0.00 ATOM 812 CD ARG 100 22.951 45.017 23.593 1.00 0.00 ATOM 813 NE ARG 100 23.604 45.569 22.409 1.00 0.00 ATOM 814 CZ ARG 100 22.987 45.800 21.254 1.00 0.00 ATOM 815 NH1 ARG 100 23.663 46.304 20.230 1.00 0.00 ATOM 816 NH2 ARG 100 21.696 45.525 21.125 1.00 0.00 ATOM 817 O ARG 100 25.502 42.184 26.952 1.00 0.00 ATOM 818 C ARG 100 25.396 43.405 26.790 1.00 0.00 ATOM 819 N PRO 101 26.382 44.147 26.319 1.00 0.00 ATOM 820 CA PRO 101 27.671 43.511 25.948 1.00 0.00 ATOM 821 CB PRO 101 28.565 44.710 25.580 1.00 0.00 ATOM 822 CG PRO 101 27.563 45.690 24.999 1.00 0.00 ATOM 823 CD PRO 101 26.325 45.573 25.918 1.00 0.00 ATOM 824 O PRO 101 28.954 41.736 26.934 1.00 0.00 ATOM 825 C PRO 101 28.332 42.771 27.119 1.00 0.00 ATOM 826 N CYS 102 28.168 43.323 28.314 1.00 0.00 ATOM 827 CA CYS 102 28.665 42.767 29.564 1.00 0.00 ATOM 828 CB CYS 102 28.551 43.821 30.707 1.00 0.00 ATOM 829 SG CYS 102 29.632 45.237 30.448 1.00 0.00 ATOM 830 O CYS 102 28.424 40.526 30.439 1.00 0.00 ATOM 831 C CYS 102 27.880 41.493 29.901 1.00 0.00 ATOM 832 N LEU 103 26.523 41.540 29.565 1.00 0.00 ATOM 833 CA LEU 103 25.666 40.398 29.871 1.00 0.00 ATOM 834 CB LEU 103 24.197 40.822 29.894 1.00 0.00 ATOM 835 CG LEU 103 23.792 41.808 30.992 1.00 0.00 ATOM 836 CD1 LEU 103 22.337 42.219 30.834 1.00 0.00 ATOM 837 CD2 LEU 103 23.961 41.180 32.366 1.00 0.00 ATOM 838 O LEU 103 25.527 38.065 29.245 1.00 0.00 ATOM 839 C LEU 103 25.748 39.227 28.883 1.00 0.00 ATOM 840 N ASN 104 26.085 39.483 27.643 1.00 0.00 ATOM 841 CA ASN 104 26.109 38.422 26.624 1.00 0.00 ATOM 842 CB ASN 104 26.437 39.007 25.249 1.00 0.00 ATOM 843 CG ASN 104 25.283 39.795 24.662 1.00 0.00 ATOM 844 ND2 ASN 104 25.587 40.660 23.700 1.00 0.00 ATOM 845 OD1 ASN 104 24.134 39.628 25.067 1.00 0.00 ATOM 846 O ASN 104 26.905 36.162 26.801 1.00 0.00 ATOM 847 C ASN 104 27.146 37.361 26.973 1.00 0.00 ATOM 848 N MET 105 28.297 37.810 27.433 1.00 0.00 ATOM 849 CA MET 105 29.355 36.878 27.795 1.00 0.00 ATOM 850 CB MET 105 30.587 37.622 28.316 1.00 0.00 ATOM 851 CG MET 105 31.330 38.413 27.253 1.00 0.00 ATOM 852 SD MET 105 31.968 37.370 25.929 1.00 0.00 ATOM 853 CE MET 105 33.245 36.462 26.798 1.00 0.00 ATOM 854 O MET 105 29.130 34.731 28.844 1.00 0.00 ATOM 855 C MET 105 28.866 35.934 28.885 1.00 0.00 ATOM 856 N LEU 106 28.113 36.472 29.859 1.00 0.00 ATOM 857 CA LEU 106 27.581 35.663 30.939 1.00 0.00 ATOM 858 CB LEU 106 26.775 36.524 31.913 1.00 0.00 ATOM 859 CG LEU 106 27.576 37.498 32.781 1.00 0.00 ATOM 860 CD1 LEU 106 26.645 38.417 33.556 1.00 0.00 ATOM 861 CD2 LEU 106 28.438 36.742 33.779 1.00 0.00 ATOM 862 O LEU 106 26.777 33.413 30.832 1.00 0.00 ATOM 863 C LEU 106 26.657 34.564 30.424 1.00 0.00 ATOM 864 N ASN 107 25.701 34.905 29.555 1.00 0.00 ATOM 865 CA ASN 107 24.775 33.910 29.026 1.00 0.00 ATOM 866 CB ASN 107 23.764 34.587 28.118 1.00 0.00 ATOM 867 CG ASN 107 22.702 35.334 28.917 1.00 0.00 ATOM 868 ND2 ASN 107 22.012 36.223 28.234 1.00 0.00 ATOM 869 OD1 ASN 107 22.588 35.195 30.092 1.00 0.00 ATOM 870 O ASN 107 25.184 31.659 28.325 1.00 0.00 ATOM 871 C ASN 107 25.504 32.844 28.220 1.00 0.00 ATOM 872 N ARG 108 26.453 33.268 27.417 1.00 0.00 ATOM 873 CA ARG 108 27.226 32.325 26.614 1.00 0.00 ATOM 874 CB ARG 108 28.222 33.076 25.728 1.00 0.00 ATOM 875 CG ARG 108 27.579 33.844 24.584 1.00 0.00 ATOM 876 CD ARG 108 28.620 34.601 23.775 1.00 0.00 ATOM 877 NE ARG 108 28.014 35.385 22.702 1.00 0.00 ATOM 878 CZ ARG 108 28.693 36.180 21.883 1.00 0.00 ATOM 879 NH1 ARG 108 28.058 36.854 20.933 1.00 0.00 ATOM 880 NH2 ARG 108 30.008 36.301 22.014 1.00 0.00 ATOM 881 O ARG 108 27.968 30.157 27.320 1.00 0.00 ATOM 882 C ARG 108 28.008 31.373 27.514 1.00 0.00 ATOM 883 N LEU 109 28.714 31.934 28.494 1.00 0.00 ATOM 884 CA LEU 109 29.506 31.132 29.424 1.00 0.00 ATOM 885 CB LEU 109 30.260 32.035 30.401 1.00 0.00 ATOM 886 CG LEU 109 31.401 32.869 29.811 1.00 0.00 ATOM 887 CD1 LEU 109 31.942 33.846 30.843 1.00 0.00 ATOM 888 CD2 LEU 109 32.545 31.972 29.362 1.00 0.00 ATOM 889 O LEU 109 28.909 29.013 30.377 1.00 0.00 ATOM 890 C LEU 109 28.603 30.194 30.217 1.00 0.00 ATOM 891 N THR 110 27.496 30.676 30.692 1.00 0.00 ATOM 892 CA THR 110 26.537 29.901 31.467 1.00 0.00 ATOM 893 CB THR 110 25.391 30.785 31.993 1.00 0.00 ATOM 894 CG2 THR 110 24.388 29.951 32.772 1.00 0.00 ATOM 895 OG1 THR 110 25.924 31.797 32.858 1.00 0.00 ATOM 896 O THR 110 25.828 27.652 31.038 1.00 0.00 ATOM 897 C THR 110 25.927 28.798 30.606 1.00 0.00 ATOM 898 N TYR 111 25.526 29.135 29.405 1.00 0.00 ATOM 899 CA TYR 111 24.956 28.144 28.506 1.00 0.00 ATOM 900 CB TYR 111 24.470 28.804 27.214 1.00 0.00 ATOM 901 CG TYR 111 23.868 27.834 26.220 1.00 0.00 ATOM 902 CD1 TYR 111 22.573 27.358 26.387 1.00 0.00 ATOM 903 CD2 TYR 111 24.595 27.400 25.121 1.00 0.00 ATOM 904 CE1 TYR 111 22.015 26.473 25.484 1.00 0.00 ATOM 905 CE2 TYR 111 24.053 26.515 24.208 1.00 0.00 ATOM 906 CZ TYR 111 22.752 26.053 24.398 1.00 0.00 ATOM 907 OH TYR 111 22.199 25.172 23.498 1.00 0.00 ATOM 908 O TYR 111 25.703 25.906 28.110 1.00 0.00 ATOM 909 C TYR 111 26.002 27.095 28.168 1.00 0.00 ATOM 910 N GLU 112 27.221 27.539 27.964 1.00 0.00 ATOM 911 CA GLU 112 28.288 26.603 27.647 1.00 0.00 ATOM 912 CB GLU 112 29.580 27.354 27.318 1.00 0.00 ATOM 913 CG GLU 112 29.548 28.093 25.991 1.00 0.00 ATOM 914 CD GLU 112 30.806 28.901 25.743 1.00 0.00 ATOM 915 OE1 GLU 112 31.673 28.940 26.641 1.00 0.00 ATOM 916 OE2 GLU 112 30.924 29.495 24.651 1.00 0.00 ATOM 917 O GLU 112 28.973 24.525 28.607 1.00 0.00 ATOM 918 C GLU 112 28.570 25.670 28.816 1.00 0.00 ATOM 919 N VAL 113 28.354 26.150 30.040 1.00 0.00 ATOM 920 CA VAL 113 28.581 25.299 31.208 1.00 0.00 ATOM 921 CB VAL 113 28.808 26.062 32.504 1.00 0.00 ATOM 922 CG1 VAL 113 28.969 25.025 33.588 1.00 0.00 ATOM 923 CG2 VAL 113 30.023 26.932 32.358 1.00 0.00 ATOM 924 O VAL 113 26.357 25.019 31.986 1.00 0.00 ATOM 925 C VAL 113 27.359 24.450 31.542 1.00 0.00 ATOM 926 N THR 114 27.521 23.119 31.393 1.00 0.00 ATOM 927 CA THR 114 26.452 22.175 31.687 1.00 0.00 ATOM 928 CB THR 114 26.925 20.717 31.416 1.00 0.00 ATOM 929 CG2 THR 114 25.849 19.732 31.809 1.00 0.00 ATOM 930 OG1 THR 114 27.202 20.596 30.022 1.00 0.00 ATOM 931 O THR 114 24.757 22.252 33.372 1.00 0.00 ATOM 932 C THR 114 25.962 22.311 33.121 1.00 0.00 ATOM 933 N GLU 115 26.888 22.456 34.106 1.00 0.00 ATOM 934 CA GLU 115 26.503 22.517 35.505 1.00 0.00 ATOM 935 CB GLU 115 27.751 22.401 36.384 1.00 0.00 ATOM 936 CG GLU 115 28.412 21.015 36.245 1.00 0.00 ATOM 937 CD GLU 115 29.231 20.853 34.923 1.00 0.00 ATOM 938 OE1 GLU 115 29.322 19.675 34.421 1.00 0.00 ATOM 939 OE2 GLU 115 29.770 21.871 34.318 1.00 0.00 ATOM 940 O GLU 115 24.736 23.698 36.645 1.00 0.00 ATOM 941 C GLU 115 25.677 23.769 35.821 1.00 0.00 ATOM 942 N ILE 116 25.992 24.890 35.155 1.00 0.00 ATOM 943 CA ILE 116 25.162 26.076 35.318 1.00 0.00 ATOM 944 CB ILE 116 25.712 27.246 34.507 1.00 0.00 ATOM 945 CG1 ILE 116 27.035 27.692 35.149 1.00 0.00 ATOM 946 CG2 ILE 116 24.709 28.394 34.429 1.00 0.00 ATOM 947 CD1 ILE 116 27.801 28.710 34.287 1.00 0.00 ATOM 948 O ILE 116 22.707 26.100 35.583 1.00 0.00 ATOM 949 C ILE 116 23.687 25.771 34.883 1.00 0.00 ATOM 950 N ALA 117 23.529 25.076 33.769 1.00 0.00 ATOM 951 CA ALA 117 22.137 24.763 33.260 1.00 0.00 ATOM 952 CB ALA 117 22.226 24.149 31.872 1.00 0.00 ATOM 953 O ALA 117 20.172 23.884 34.322 1.00 0.00 ATOM 954 C ALA 117 21.390 23.782 34.165 1.00 0.00 ATOM 955 N LEU 118 22.119 22.829 34.772 1.00 0.00 ATOM 956 CA LEU 118 21.551 21.847 35.697 1.00 0.00 ATOM 957 CB LEU 118 22.468 20.647 35.976 1.00 0.00 ATOM 958 CG LEU 118 22.673 19.809 34.706 1.00 0.00 ATOM 959 CD1 LEU 118 23.841 18.815 34.982 1.00 0.00 ATOM 960 CD2 LEU 118 21.392 19.055 34.231 1.00 0.00 ATOM 961 O LEU 118 20.436 21.899 37.823 1.00 0.00 ATOM 962 C LEU 118 21.178 22.481 37.038 1.00 0.00 ATOM 963 N ASP 119 21.698 23.679 37.317 1.00 0.00 ATOM 964 CA ASP 119 21.383 24.363 38.565 1.00 0.00 ATOM 965 CB ASP 119 22.576 25.232 39.013 1.00 0.00 ATOM 966 CG ASP 119 23.669 24.363 39.676 1.00 0.00 ATOM 967 OD1 ASP 119 24.854 24.779 39.712 1.00 0.00 ATOM 968 OD2 ASP 119 23.367 23.262 40.180 1.00 0.00 ATOM 969 O ASP 119 19.704 25.751 39.468 1.00 0.00 ATOM 970 C ASP 119 20.106 25.187 38.432 1.00 0.00 ATOM 971 N LEU 120 19.513 25.271 37.251 1.00 0.00 ATOM 972 CA LEU 120 18.230 25.960 37.118 1.00 0.00 ATOM 973 CB LEU 120 18.116 26.517 35.697 1.00 0.00 ATOM 974 CG LEU 120 19.146 27.576 35.300 1.00 0.00 ATOM 975 CD1 LEU 120 18.972 27.976 33.843 1.00 0.00 ATOM 976 CD2 LEU 120 18.991 28.824 36.157 1.00 0.00 ATOM 977 O LEU 120 15.954 25.495 37.699 1.00 0.00 ATOM 978 C LEU 120 17.073 25.026 37.487 1.00 0.00 ATOM 979 N PRO 121 17.286 23.612 37.474 1.00 0.00 ATOM 980 CA PRO 121 16.170 22.727 37.833 1.00 0.00 ATOM 981 CB PRO 121 16.789 21.337 37.727 1.00 0.00 ATOM 982 CG PRO 121 17.711 21.500 36.552 1.00 0.00 ATOM 983 CD PRO 121 18.378 22.844 36.849 1.00 0.00 ATOM 984 O PRO 121 14.220 23.141 39.107 1.00 0.00 ATOM 985 C PRO 121 15.434 23.020 39.147 1.00 0.00 ATOM 986 N GLY 122 16.142 23.164 40.214 1.00 0.00 ATOM 987 CA GLY 122 15.514 23.471 41.484 1.00 0.00 ATOM 988 O GLY 122 14.070 25.133 42.439 1.00 0.00 ATOM 989 C GLY 122 14.869 24.843 41.544 1.00 0.00 ATOM 990 N ILE 123 15.270 25.728 40.547 1.00 0.00 ATOM 991 CA ILE 123 14.706 27.066 40.519 1.00 0.00 ATOM 992 CB ILE 123 16.144 28.082 40.145 1.00 0.00 ATOM 993 CG1 ILE 123 16.035 28.125 38.619 1.00 0.00 ATOM 994 CG2 ILE 123 17.475 27.542 40.639 1.00 0.00 ATOM 995 CD1 ILE 123 17.165 28.916 37.946 1.00 0.00 ATOM 996 O ILE 123 12.907 28.172 39.384 1.00 0.00 ATOM 997 C ILE 123 13.455 27.104 39.652 1.00 0.00 ATOM 998 N ASN 124 13.059 25.935 39.156 1.00 0.00 ATOM 999 CA ASN 124 11.876 25.775 38.305 1.00 0.00 ATOM 1000 CB ASN 124 10.732 26.660 38.805 1.00 0.00 ATOM 1001 CG ASN 124 10.178 26.198 40.138 1.00 0.00 ATOM 1002 ND2 ASN 124 9.635 27.133 40.907 1.00 0.00 ATOM 1003 OD1 ASN 124 10.240 25.013 40.469 1.00 0.00 ATOM 1004 O ASN 124 11.163 26.564 36.160 1.00 0.00 ATOM 1005 C ASN 124 12.095 26.143 36.844 1.00 0.00 ATOM 1006 N LEU 125 13.317 25.989 36.360 1.00 0.00 ATOM 1007 CA LEU 125 13.593 26.294 34.968 1.00 0.00 ATOM 1008 CB LEU 125 14.624 27.419 34.860 1.00 0.00 ATOM 1009 CG LEU 125 14.199 28.782 35.409 1.00 0.00 ATOM 1010 CD1 LEU 125 15.364 29.761 35.380 1.00 0.00 ATOM 1011 CD2 LEU 125 13.068 29.368 34.578 1.00 0.00 ATOM 1012 O LEU 125 15.309 24.739 34.415 1.00 0.00 ATOM 1013 C LEU 125 14.114 24.990 34.392 1.00 0.00 ATOM 1014 N GLU 126 13.178 24.069 33.841 1.00 0.00 ATOM 1015 CA GLU 126 13.575 22.778 33.306 1.00 0.00 ATOM 1016 CB GLU 126 12.332 22.089 32.738 1.00 0.00 ATOM 1017 CG GLU 126 12.596 20.704 32.170 1.00 0.00 ATOM 1018 CD GLU 126 11.334 20.032 31.665 1.00 0.00 ATOM 1019 OE1 GLU 126 10.248 20.638 31.788 1.00 0.00 ATOM 1020 OE2 GLU 126 11.430 18.900 31.148 1.00 0.00 ATOM 1021 O GLU 126 14.402 23.770 31.304 1.00 0.00 ATOM 1022 C GLU 126 14.562 22.923 32.174 1.00 0.00 ATOM 1023 N PHE 127 15.588 22.079 32.206 1.00 0.00 ATOM 1024 CA PHE 127 16.612 22.098 31.176 1.00 0.00 ATOM 1025 CB PHE 127 17.942 21.447 31.824 1.00 0.00 ATOM 1026 CG PHE 127 19.116 21.373 30.887 1.00 0.00 ATOM 1027 CD1 PHE 127 19.798 22.526 30.515 1.00 0.00 ATOM 1028 CD2 PHE 127 19.536 20.151 30.368 1.00 0.00 ATOM 1029 CE1 PHE 127 20.882 22.467 29.636 1.00 0.00 ATOM 1030 CE2 PHE 127 20.619 20.079 29.490 1.00 0.00 ATOM 1031 CZ PHE 127 21.293 21.242 29.123 1.00 0.00 ATOM 1032 O PHE 127 16.425 21.845 28.802 1.00 0.00 ATOM 1033 C PHE 127 16.143 21.392 29.908 1.00 0.00 TER END