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 4 Sat Aug 5 21:25:05 2006 MODEL 4 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 34.954 57.972 38.128 1.00 0.00 ATOM 2 CA SER 1 34.717 57.918 39.612 1.00 0.00 ATOM 3 CB SER 1 36.029 58.127 40.372 1.00 0.00 ATOM 4 OG SER 1 36.536 59.433 40.163 1.00 0.00 ATOM 5 O SER 1 32.905 58.701 40.970 1.00 0.00 ATOM 6 C SER 1 33.721 58.970 40.088 1.00 0.00 ATOM 7 N ASN 2 33.833 60.175 39.514 1.00 0.00 ATOM 8 CA ASN 2 32.972 61.278 39.929 1.00 0.00 ATOM 9 CB ASN 2 33.853 62.518 40.081 1.00 0.00 ATOM 10 CG ASN 2 34.918 62.348 41.148 1.00 0.00 ATOM 11 ND2 ASN 2 36.060 62.997 40.951 1.00 0.00 ATOM 12 OD1 ASN 2 34.715 61.640 42.135 1.00 0.00 ATOM 13 O ASN 2 30.691 61.689 39.293 1.00 0.00 ATOM 14 C ASN 2 31.863 61.591 38.925 1.00 0.00 ATOM 15 N ALA 3 32.416 61.820 37.608 1.00 0.00 ATOM 16 CA ALA 3 31.523 62.158 36.504 1.00 0.00 ATOM 17 CB ALA 3 32.305 62.799 35.367 1.00 0.00 ATOM 18 O ALA 3 29.642 60.993 35.553 1.00 0.00 ATOM 19 C ALA 3 30.806 60.930 35.955 1.00 0.00 ATOM 20 N MET 4 31.519 59.809 35.940 1.00 0.00 ATOM 21 CA MET 4 30.962 58.555 35.461 1.00 0.00 ATOM 22 CB MET 4 31.581 58.185 34.111 1.00 0.00 ATOM 23 CG MET 4 33.082 57.953 34.160 1.00 0.00 ATOM 24 SD MET 4 33.773 57.530 32.549 1.00 0.00 ATOM 25 CE MET 4 33.596 59.088 31.683 1.00 0.00 ATOM 26 O MET 4 32.337 57.296 36.938 1.00 0.00 ATOM 27 C MET 4 31.227 57.422 36.416 1.00 0.00 ATOM 28 N ASN 5 30.226 56.585 36.631 1.00 0.00 ATOM 29 CA ASN 5 30.404 55.472 37.531 1.00 0.00 ATOM 30 CB ASN 5 29.920 55.837 38.936 1.00 0.00 ATOM 31 CG ASN 5 30.719 56.967 39.552 1.00 0.00 ATOM 32 ND2 ASN 5 30.140 58.162 39.562 1.00 0.00 ATOM 33 OD1 ASN 5 31.842 56.767 40.015 1.00 0.00 ATOM 34 O ASN 5 28.581 54.398 36.354 1.00 0.00 ATOM 35 C ASN 5 29.672 54.261 36.920 1.00 0.00 ATOM 36 N LEU 6 30.334 53.133 36.998 1.00 0.00 ATOM 37 CA LEU 6 29.704 51.878 36.541 1.00 0.00 ATOM 38 CB LEU 6 30.496 51.290 35.380 1.00 0.00 ATOM 39 CG LEU 6 30.022 49.955 34.801 1.00 0.00 ATOM 40 CD1 LEU 6 28.607 50.090 34.258 1.00 0.00 ATOM 41 CD2 LEU 6 30.970 49.521 33.694 1.00 0.00 ATOM 42 O LEU 6 30.878 50.713 38.273 1.00 0.00 ATOM 43 C LEU 6 29.813 50.877 37.682 1.00 0.00 ATOM 44 N LYS 7 28.722 50.193 37.991 1.00 0.00 ATOM 45 CA LYS 7 28.754 49.240 39.086 1.00 0.00 ATOM 46 CB LYS 7 28.464 49.953 40.409 1.00 0.00 ATOM 47 CG LYS 7 28.563 49.056 41.631 1.00 0.00 ATOM 48 CD LYS 7 28.470 49.863 42.916 1.00 0.00 ATOM 49 CE LYS 7 28.574 48.966 44.140 1.00 0.00 ATOM 50 NZ LYS 7 28.410 49.732 45.406 1.00 0.00 ATOM 51 O LYS 7 26.520 48.368 38.821 1.00 0.00 ATOM 52 C LYS 7 27.727 48.122 38.924 1.00 0.00 ATOM 53 N ARG 8 28.226 46.900 38.826 1.00 0.00 ATOM 54 CA ARG 8 27.367 45.746 38.701 1.00 0.00 ATOM 55 CB ARG 8 28.153 44.543 38.176 1.00 0.00 ATOM 56 CG ARG 8 27.327 43.272 38.043 1.00 0.00 ATOM 57 CD ARG 8 28.118 42.171 37.357 1.00 0.00 ATOM 58 NE ARG 8 29.325 41.819 38.102 1.00 0.00 ATOM 59 CZ ARG 8 29.354 40.963 39.116 1.00 0.00 ATOM 60 NH1 ARG 8 30.500 40.705 39.733 1.00 0.00 ATOM 61 NH2 ARG 8 28.240 40.366 39.513 1.00 0.00 ATOM 62 O ARG 8 27.588 45.106 41.010 1.00 0.00 ATOM 63 C ARG 8 26.837 45.469 40.106 1.00 0.00 ATOM 64 N GLU 9 25.534 45.654 40.288 1.00 0.00 ATOM 65 CA GLU 9 24.922 45.456 41.586 1.00 0.00 ATOM 66 CB GLU 9 23.711 46.376 41.755 1.00 0.00 ATOM 67 CG GLU 9 22.997 46.223 43.088 1.00 0.00 ATOM 68 CD GLU 9 21.906 47.257 43.288 1.00 0.00 ATOM 69 OE1 GLU 9 21.718 48.103 42.388 1.00 0.00 ATOM 70 OE2 GLU 9 21.239 47.220 44.343 1.00 0.00 ATOM 71 O GLU 9 24.599 43.476 42.847 1.00 0.00 ATOM 72 C GLU 9 24.450 44.026 41.758 1.00 0.00 ATOM 73 N GLN 10 23.894 43.423 40.697 1.00 0.00 ATOM 74 CA GLN 10 23.391 42.054 40.701 1.00 0.00 ATOM 75 CB GLN 10 21.995 42.000 41.326 1.00 0.00 ATOM 76 CG GLN 10 21.381 40.611 41.351 1.00 0.00 ATOM 77 CD GLN 10 20.066 40.568 42.106 1.00 0.00 ATOM 78 OE1 GLN 10 19.542 41.603 42.517 1.00 0.00 ATOM 79 NE2 GLN 10 19.530 39.367 42.292 1.00 0.00 ATOM 80 O GLN 10 22.847 42.050 38.355 1.00 0.00 ATOM 81 C GLN 10 23.224 41.399 39.336 1.00 0.00 ATOM 82 N GLU 11 23.493 40.104 39.283 1.00 0.00 ATOM 83 CA GLU 11 23.356 39.345 38.044 1.00 0.00 ATOM 84 CB GLU 11 24.731 38.850 37.592 1.00 0.00 ATOM 85 CG GLU 11 24.706 38.029 36.312 1.00 0.00 ATOM 86 CD GLU 11 26.090 37.602 35.866 1.00 0.00 ATOM 87 OE1 GLU 11 27.065 37.897 36.590 1.00 0.00 ATOM 88 OE2 GLU 11 26.201 36.974 34.793 1.00 0.00 ATOM 89 O GLU 11 22.649 37.562 39.491 1.00 0.00 ATOM 90 C GLU 11 22.435 38.202 38.460 1.00 0.00 ATOM 91 N PHE 12 21.426 37.947 37.617 1.00 0.00 ATOM 92 CA PHE 12 20.468 36.879 37.883 1.00 0.00 ATOM 93 CB PHE 12 19.447 37.340 38.926 1.00 0.00 ATOM 94 CG PHE 12 18.632 38.524 38.494 1.00 0.00 ATOM 95 CD1 PHE 12 17.411 38.351 37.864 1.00 0.00 ATOM 96 CD2 PHE 12 19.084 39.813 38.718 1.00 0.00 ATOM 97 CE1 PHE 12 16.661 39.441 37.466 1.00 0.00 ATOM 98 CE2 PHE 12 18.332 40.903 38.321 1.00 0.00 ATOM 99 CZ PHE 12 17.126 40.721 37.699 1.00 0.00 ATOM 100 O PHE 12 19.925 37.040 35.563 1.00 0.00 ATOM 101 C PHE 12 19.702 36.478 36.636 1.00 0.00 ATOM 102 N VAL 13 19.057 35.365 36.729 1.00 0.00 ATOM 103 CA VAL 13 18.249 34.866 35.631 1.00 0.00 ATOM 104 CB VAL 13 18.532 33.377 35.353 1.00 0.00 ATOM 105 CG1 VAL 13 17.649 32.869 34.225 1.00 0.00 ATOM 106 CG2 VAL 13 19.985 33.177 34.953 1.00 0.00 ATOM 107 O VAL 13 16.328 34.472 37.007 1.00 0.00 ATOM 108 C VAL 13 16.787 35.048 36.025 1.00 0.00 ATOM 109 N SER 14 16.089 35.858 35.261 1.00 0.00 ATOM 110 CA SER 14 14.686 36.114 35.562 1.00 0.00 ATOM 111 CB SER 14 14.226 37.386 34.846 1.00 0.00 ATOM 112 OG SER 14 14.262 37.222 33.439 1.00 0.00 ATOM 113 O SER 14 12.773 34.724 35.741 1.00 0.00 ATOM 114 C SER 14 13.804 34.978 35.124 1.00 0.00 ATOM 115 N GLN 15 14.243 34.238 34.113 1.00 0.00 ATOM 116 CA GLN 15 13.415 33.167 33.581 1.00 0.00 ATOM 117 CB GLN 15 12.551 33.691 32.439 1.00 0.00 ATOM 118 CG GLN 15 11.953 32.595 31.547 1.00 0.00 ATOM 119 CD GLN 15 11.022 31.647 32.289 1.00 0.00 ATOM 120 OE1 GLN 15 11.099 30.422 32.117 1.00 0.00 ATOM 121 NE2 GLN 15 10.128 32.203 33.105 1.00 0.00 ATOM 122 O GLN 15 15.259 32.562 32.155 1.00 0.00 ATOM 123 C GLN 15 14.291 32.181 32.826 1.00 0.00 ATOM 124 N TYR 16 13.927 30.914 32.912 1.00 0.00 ATOM 125 CA TYR 16 14.690 29.868 32.261 1.00 0.00 ATOM 126 CB TYR 16 15.686 29.242 33.239 1.00 0.00 ATOM 127 CG TYR 16 16.515 28.128 32.642 1.00 0.00 ATOM 128 CD1 TYR 16 17.569 28.409 31.783 1.00 0.00 ATOM 129 CD2 TYR 16 16.241 26.799 32.938 1.00 0.00 ATOM 130 CE1 TYR 16 18.333 27.397 31.231 1.00 0.00 ATOM 131 CE2 TYR 16 16.993 25.775 32.396 1.00 0.00 ATOM 132 CZ TYR 16 18.047 26.085 31.537 1.00 0.00 ATOM 133 OH TYR 16 18.805 25.075 30.990 1.00 0.00 ATOM 134 O TYR 16 12.891 28.338 32.527 1.00 0.00 ATOM 135 C TYR 16 13.747 28.804 31.773 1.00 0.00 ATOM 136 N HIS 17 13.918 28.391 30.528 1.00 0.00 ATOM 137 CA HIS 17 13.055 27.368 29.989 1.00 0.00 ATOM 138 CB HIS 17 11.907 28.003 29.202 1.00 0.00 ATOM 139 CG HIS 17 10.960 27.008 28.608 1.00 0.00 ATOM 140 CD2 HIS 17 10.703 26.489 27.272 1.00 0.00 ATOM 141 ND1 HIS 17 10.031 26.320 29.360 1.00 0.00 ATOM 142 CE1 HIS 17 9.331 25.505 28.553 1.00 0.00 ATOM 143 NE2 HIS 17 9.727 25.601 27.298 1.00 0.00 ATOM 144 O HIS 17 14.534 26.902 28.147 1.00 0.00 ATOM 145 C HIS 17 13.821 26.447 29.052 1.00 0.00 ATOM 146 N PHE 18 13.685 25.152 29.295 1.00 0.00 ATOM 147 CA PHE 18 14.320 24.138 28.461 1.00 0.00 ATOM 148 CB PHE 18 15.500 23.500 29.199 1.00 0.00 ATOM 149 CG PHE 18 16.211 22.443 28.403 1.00 0.00 ATOM 150 CD1 PHE 18 17.081 22.791 27.385 1.00 0.00 ATOM 151 CD2 PHE 18 16.011 21.100 28.674 1.00 0.00 ATOM 152 CE1 PHE 18 17.735 21.819 26.653 1.00 0.00 ATOM 153 CE2 PHE 18 16.666 20.128 27.943 1.00 0.00 ATOM 154 CZ PHE 18 17.525 20.482 26.936 1.00 0.00 ATOM 155 O PHE 18 12.615 22.555 29.058 1.00 0.00 ATOM 156 C PHE 18 13.276 23.060 28.154 1.00 0.00 ATOM 157 N ASP 19 13.119 22.709 26.886 1.00 0.00 ATOM 158 CA ASP 19 12.147 21.685 26.534 1.00 0.00 ATOM 159 CB ASP 19 10.896 22.341 25.946 1.00 0.00 ATOM 160 CG ASP 19 9.788 21.345 25.673 1.00 0.00 ATOM 161 OD1 ASP 19 10.028 20.130 25.832 1.00 0.00 ATOM 162 OD2 ASP 19 8.678 21.777 25.299 1.00 0.00 ATOM 163 O ASP 19 13.246 21.152 24.492 1.00 0.00 ATOM 164 C ASP 19 12.685 20.724 25.500 1.00 0.00 ATOM 165 N ALA 20 12.542 19.429 25.777 1.00 0.00 ATOM 166 CA ALA 20 12.958 18.364 24.866 1.00 0.00 ATOM 167 CB ALA 20 14.082 17.551 25.492 1.00 0.00 ATOM 168 O ALA 20 11.630 16.360 25.149 1.00 0.00 ATOM 169 C ALA 20 11.724 17.459 24.613 1.00 0.00 ATOM 170 N ARG 21 10.779 17.940 23.760 1.00 0.00 ATOM 171 CA ARG 21 9.561 17.202 23.439 1.00 0.00 ATOM 172 CB ARG 21 8.524 18.124 22.794 1.00 0.00 ATOM 173 CG ARG 21 7.928 19.148 23.745 1.00 0.00 ATOM 174 CD ARG 21 6.971 20.083 23.022 1.00 0.00 ATOM 175 NE ARG 21 7.667 20.946 22.071 1.00 0.00 ATOM 176 CZ ARG 21 7.071 21.882 21.339 1.00 0.00 ATOM 177 NH1 ARG 21 7.784 22.621 20.500 1.00 0.00 ATOM 178 NH2 ARG 21 5.764 22.076 21.447 1.00 0.00 ATOM 179 O ARG 21 9.041 15.155 22.283 1.00 0.00 ATOM 180 C ARG 21 9.854 16.063 22.459 1.00 0.00 ATOM 181 N ASN 22 11.025 16.100 21.837 1.00 0.00 ATOM 182 CA ASN 22 11.408 15.068 20.877 1.00 0.00 ATOM 183 CB ASN 22 11.227 15.399 19.495 1.00 0.00 ATOM 184 CG ASN 22 11.864 14.409 18.561 1.00 0.00 ATOM 185 ND2 ASN 22 13.060 14.717 18.096 1.00 0.00 ATOM 186 OD1 ASN 22 11.270 13.373 18.260 1.00 0.00 ATOM 187 O ASN 22 13.403 13.918 21.583 1.00 0.00 ATOM 188 C ASN 22 12.169 13.952 21.587 1.00 0.00 ATOM 189 N PHE 23 11.416 13.036 22.187 1.00 0.00 ATOM 190 CA PHE 23 11.979 11.919 22.936 1.00 0.00 ATOM 191 CB PHE 23 10.869 10.988 23.426 1.00 0.00 ATOM 192 CG PHE 23 11.366 9.826 24.239 1.00 0.00 ATOM 193 CD1 PHE 23 11.730 9.995 25.563 1.00 0.00 ATOM 194 CD2 PHE 23 11.470 8.565 23.679 1.00 0.00 ATOM 195 CE1 PHE 23 12.187 8.926 26.311 1.00 0.00 ATOM 196 CE2 PHE 23 11.927 7.496 24.426 1.00 0.00 ATOM 197 CZ PHE 23 12.285 7.673 25.737 1.00 0.00 ATOM 198 O PHE 23 13.903 10.629 22.453 1.00 0.00 ATOM 199 C PHE 23 12.905 11.178 21.976 1.00 0.00 ATOM 200 N GLU 24 12.613 11.224 20.570 1.00 0.00 ATOM 201 CA GLU 24 13.353 10.457 19.568 1.00 0.00 ATOM 202 CB GLU 24 12.492 10.228 18.325 1.00 0.00 ATOM 203 CG GLU 24 11.292 9.324 18.559 1.00 0.00 ATOM 204 CD GLU 24 10.425 9.177 17.325 1.00 0.00 ATOM 205 OE1 GLU 24 10.747 9.801 16.293 1.00 0.00 ATOM 206 OE2 GLU 24 9.421 8.436 17.390 1.00 0.00 ATOM 207 O GLU 24 15.430 10.374 18.376 1.00 0.00 ATOM 208 C GLU 24 14.657 11.058 19.052 1.00 0.00 ATOM 209 N TRP 25 14.940 12.304 19.427 1.00 0.00 ATOM 210 CA TRP 25 16.170 12.945 18.971 1.00 0.00 ATOM 211 CB TRP 25 16.256 14.378 19.503 1.00 0.00 ATOM 212 CG TRP 25 16.466 14.454 20.984 1.00 0.00 ATOM 213 CD1 TRP 25 15.500 14.529 21.945 1.00 0.00 ATOM 214 CD2 TRP 25 17.721 14.467 21.674 1.00 0.00 ATOM 215 CE2 TRP 25 17.438 14.549 23.052 1.00 0.00 ATOM 216 CE3 TRP 25 19.056 14.415 21.262 1.00 0.00 ATOM 217 NE1 TRP 25 16.074 14.586 23.192 1.00 0.00 ATOM 218 CZ2 TRP 25 18.441 14.582 24.021 1.00 0.00 ATOM 219 CZ3 TRP 25 20.048 14.448 22.224 1.00 0.00 ATOM 220 CH2 TRP 25 19.738 14.530 23.588 1.00 0.00 ATOM 221 O TRP 25 18.452 12.240 18.778 1.00 0.00 ATOM 222 C TRP 25 17.415 12.196 19.440 1.00 0.00 ATOM 223 N GLU 26 17.311 11.507 20.577 1.00 0.00 ATOM 224 CA GLU 26 18.438 10.744 21.103 1.00 0.00 ATOM 225 CB GLU 26 18.055 10.060 22.417 1.00 0.00 ATOM 226 CG GLU 26 19.187 9.277 23.063 1.00 0.00 ATOM 227 CD GLU 26 18.779 8.641 24.378 1.00 0.00 ATOM 228 OE1 GLU 26 17.616 8.825 24.791 1.00 0.00 ATOM 229 OE2 GLU 26 19.625 7.959 24.995 1.00 0.00 ATOM 230 O GLU 26 20.045 9.550 19.791 1.00 0.00 ATOM 231 C GLU 26 18.849 9.684 20.101 1.00 0.00 ATOM 232 N ASN 27 17.773 8.904 19.491 1.00 0.00 ATOM 233 CA ASN 27 18.170 7.868 18.546 1.00 0.00 ATOM 234 CB ASN 27 17.040 6.852 18.361 1.00 0.00 ATOM 235 CG ASN 27 16.826 5.989 19.588 1.00 0.00 ATOM 236 ND2 ASN 27 15.636 5.411 19.704 1.00 0.00 ATOM 237 OD1 ASN 27 17.722 5.842 20.420 1.00 0.00 ATOM 238 O ASN 27 19.335 8.008 16.457 1.00 0.00 ATOM 239 C ASN 27 18.490 8.506 17.197 1.00 0.00 ATOM 240 N GLU 28 17.818 9.609 16.878 1.00 0.00 ATOM 241 CA GLU 28 18.048 10.302 15.610 1.00 0.00 ATOM 242 CB GLU 28 17.110 11.504 15.479 1.00 0.00 ATOM 243 CG GLU 28 15.649 11.132 15.288 1.00 0.00 ATOM 244 CD GLU 28 14.744 12.346 15.213 1.00 0.00 ATOM 245 OE1 GLU 28 15.252 13.477 15.366 1.00 0.00 ATOM 246 OE2 GLU 28 13.526 12.167 15.002 1.00 0.00 ATOM 247 O GLU 28 20.088 11.176 16.519 1.00 0.00 ATOM 248 C GLU 28 19.472 10.833 15.511 1.00 0.00 ATOM 249 N ASN 29 19.999 10.888 14.294 1.00 0.00 ATOM 250 CA ASN 29 21.353 11.379 14.081 1.00 0.00 ATOM 251 CB ASN 29 21.752 11.221 12.612 1.00 0.00 ATOM 252 CG ASN 29 23.232 11.460 12.382 1.00 0.00 ATOM 253 ND2 ASN 29 23.586 11.834 11.157 1.00 0.00 ATOM 254 OD1 ASN 29 24.044 11.312 13.294 1.00 0.00 ATOM 255 O ASN 29 20.337 13.515 14.364 1.00 0.00 ATOM 256 C ASN 29 21.368 12.855 14.483 1.00 0.00 ATOM 257 N GLY 30 22.830 13.039 14.940 1.00 0.00 ATOM 258 CA GLY 30 23.003 14.407 15.425 1.00 0.00 ATOM 259 O GLY 30 24.528 15.641 14.023 1.00 0.00 ATOM 260 C GLY 30 23.359 15.334 14.266 1.00 0.00 ATOM 261 N ALA 31 22.325 15.791 13.569 1.00 0.00 ATOM 262 CA ALA 31 22.478 16.697 12.437 1.00 0.00 ATOM 263 CB ALA 31 22.116 15.981 11.143 1.00 0.00 ATOM 264 O ALA 31 20.603 18.118 11.880 1.00 0.00 ATOM 265 C ALA 31 21.523 17.881 12.670 1.00 0.00 ATOM 266 N PRO 32 21.755 18.651 13.757 1.00 0.00 ATOM 267 CA PRO 32 20.964 19.815 14.171 1.00 0.00 ATOM 268 CB PRO 32 21.374 20.045 15.626 1.00 0.00 ATOM 269 CG PRO 32 22.788 19.575 15.694 1.00 0.00 ATOM 270 CD PRO 32 22.874 18.376 14.793 1.00 0.00 ATOM 271 O PRO 32 22.190 21.418 12.863 1.00 0.00 ATOM 272 C PRO 32 21.149 21.140 13.453 1.00 0.00 ATOM 273 N GLU 33 20.081 21.922 13.441 1.00 0.00 ATOM 274 CA GLU 33 20.123 23.258 12.877 1.00 0.00 ATOM 275 CB GLU 33 18.993 23.322 11.862 1.00 0.00 ATOM 276 CG GLU 33 18.783 24.701 11.234 1.00 0.00 ATOM 277 CD GLU 33 19.855 25.096 10.229 1.00 0.00 ATOM 278 OE1 GLU 33 20.698 24.254 9.840 1.00 0.00 ATOM 279 OE2 GLU 33 19.857 26.276 9.833 1.00 0.00 ATOM 280 O GLU 33 18.875 23.831 14.821 1.00 0.00 ATOM 281 C GLU 33 19.884 24.063 14.140 1.00 0.00 ATOM 282 N THR 34 20.811 24.889 14.525 1.00 0.00 ATOM 283 CA THR 34 20.671 25.677 15.741 1.00 0.00 ATOM 284 CB THR 34 21.949 25.655 16.601 1.00 0.00 ATOM 285 CG2 THR 34 21.768 26.513 17.844 1.00 0.00 ATOM 286 OG1 THR 34 22.233 24.309 17.004 1.00 0.00 ATOM 287 O THR 34 21.224 27.710 14.700 1.00 0.00 ATOM 288 C THR 34 20.414 27.107 15.374 1.00 0.00 ATOM 289 N LYS 35 19.280 27.589 15.809 1.00 0.00 ATOM 290 CA LYS 35 18.843 28.951 15.535 1.00 0.00 ATOM 291 CB LYS 35 17.409 28.952 15.056 1.00 0.00 ATOM 292 CG LYS 35 16.959 30.318 14.581 1.00 0.00 ATOM 293 CD LYS 35 15.485 30.333 14.215 1.00 0.00 ATOM 294 CE LYS 35 14.965 31.760 14.081 1.00 0.00 ATOM 295 NZ LYS 35 13.674 31.837 13.330 1.00 0.00 ATOM 296 O LYS 35 18.674 29.225 17.904 1.00 0.00 ATOM 297 C LYS 35 19.044 29.718 16.835 1.00 0.00 ATOM 298 N VAL 36 19.634 30.901 16.733 1.00 0.00 ATOM 299 CA VAL 36 19.804 31.807 17.870 1.00 0.00 ATOM 300 CB VAL 36 21.290 32.157 18.068 1.00 0.00 ATOM 301 CG1 VAL 36 21.464 33.099 19.248 1.00 0.00 ATOM 302 CG2 VAL 36 22.101 30.898 18.335 1.00 0.00 ATOM 303 O VAL 36 19.283 33.869 16.764 1.00 0.00 ATOM 304 C VAL 36 19.086 33.165 17.758 1.00 0.00 ATOM 305 N ASP 37 18.286 33.503 18.740 1.00 0.00 ATOM 306 CA ASP 37 17.595 34.795 18.737 1.00 0.00 ATOM 307 CB ASP 37 16.086 34.544 18.727 1.00 0.00 ATOM 308 CG ASP 37 15.283 35.821 18.584 1.00 0.00 ATOM 309 OD1 ASP 37 15.893 36.911 18.596 1.00 0.00 ATOM 310 OD2 ASP 37 14.043 35.733 18.461 1.00 0.00 ATOM 311 O ASP 37 18.085 35.016 21.095 1.00 0.00 ATOM 312 C ASP 37 17.981 35.575 19.991 1.00 0.00 ATOM 313 N VAL 38 18.262 36.827 19.791 1.00 0.00 ATOM 314 CA VAL 38 18.728 37.669 20.886 1.00 0.00 ATOM 315 CB VAL 38 20.178 38.154 20.697 1.00 0.00 ATOM 316 CG1 VAL 38 20.584 39.075 21.838 1.00 0.00 ATOM 317 CG2 VAL 38 21.135 36.972 20.670 1.00 0.00 ATOM 318 O VAL 38 17.479 39.514 19.992 1.00 0.00 ATOM 319 C VAL 38 17.842 38.903 21.000 1.00 0.00 ATOM 320 N ASN 39 17.511 39.236 22.210 1.00 0.00 ATOM 321 CA ASN 39 16.677 40.409 22.449 1.00 0.00 ATOM 322 CB ASN 39 15.225 39.987 22.692 1.00 0.00 ATOM 323 CG ASN 39 14.619 39.276 21.499 1.00 0.00 ATOM 324 ND2 ASN 39 14.526 37.954 21.584 1.00 0.00 ATOM 325 OD1 ASN 39 14.238 39.909 20.515 1.00 0.00 ATOM 326 O ASN 39 17.857 40.532 24.526 1.00 0.00 ATOM 327 C ASN 39 17.315 41.154 23.611 1.00 0.00 ATOM 328 N PHE 40 17.143 42.465 23.608 1.00 0.00 ATOM 329 CA PHE 40 17.661 43.315 24.674 1.00 0.00 ATOM 330 CB PHE 40 18.919 44.053 24.211 1.00 0.00 ATOM 331 CG PHE 40 20.063 43.142 23.865 1.00 0.00 ATOM 332 CD1 PHE 40 20.249 42.706 22.565 1.00 0.00 ATOM 333 CD2 PHE 40 20.952 42.725 24.838 1.00 0.00 ATOM 334 CE1 PHE 40 21.302 41.869 22.247 1.00 0.00 ATOM 335 CE2 PHE 40 22.006 41.888 24.521 1.00 0.00 ATOM 336 CZ PHE 40 22.183 41.460 23.231 1.00 0.00 ATOM 337 O PHE 40 16.008 44.989 24.248 1.00 0.00 ATOM 338 C PHE 40 16.637 44.363 25.095 1.00 0.00 ATOM 339 N GLN 41 16.510 44.567 26.386 1.00 0.00 ATOM 340 CA GLN 41 15.680 45.655 26.918 1.00 0.00 ATOM 341 CB GLN 41 14.348 45.109 27.416 1.00 0.00 ATOM 342 CG GLN 41 13.463 46.172 28.035 1.00 0.00 ATOM 343 CD GLN 41 12.117 45.662 28.520 1.00 0.00 ATOM 344 OE1 GLN 41 11.963 45.011 29.546 1.00 0.00 ATOM 345 NE2 GLN 41 11.056 45.966 27.777 1.00 0.00 ATOM 346 O GLN 41 16.706 45.536 29.080 1.00 0.00 ATOM 347 C GLN 41 16.264 46.258 28.189 1.00 0.00 ATOM 348 N LEU 42 16.238 47.580 28.274 1.00 0.00 ATOM 349 CA LEU 42 16.742 48.258 29.442 1.00 0.00 ATOM 350 CB LEU 42 17.965 49.109 29.092 1.00 0.00 ATOM 351 CG LEU 42 18.584 49.908 30.240 1.00 0.00 ATOM 352 CD1 LEU 42 19.228 48.980 31.258 1.00 0.00 ATOM 353 CD2 LEU 42 19.655 50.856 29.719 1.00 0.00 ATOM 354 O LEU 42 15.076 49.982 29.399 1.00 0.00 ATOM 355 C LEU 42 15.738 49.205 30.085 1.00 0.00 ATOM 356 N LEU 43 15.689 49.171 31.428 1.00 0.00 ATOM 357 CA LEU 43 14.782 50.033 32.174 1.00 0.00 ATOM 358 CB LEU 43 13.644 49.211 32.783 1.00 0.00 ATOM 359 CG LEU 43 12.686 48.543 31.796 1.00 0.00 ATOM 360 CD1 LEU 43 11.748 47.587 32.518 1.00 0.00 ATOM 361 CD2 LEU 43 11.841 49.585 31.077 1.00 0.00 ATOM 362 O LEU 43 16.310 50.302 33.995 1.00 0.00 ATOM 363 C LEU 43 15.380 50.781 33.363 1.00 0.00 ATOM 364 N GLN 44 14.892 51.949 33.673 1.00 0.00 ATOM 365 CA GLN 44 15.383 52.678 34.818 1.00 0.00 ATOM 366 CB GLN 44 14.873 54.060 34.652 1.00 0.00 ATOM 367 CG GLN 44 16.046 54.790 34.033 1.00 0.00 ATOM 368 CD GLN 44 15.886 56.296 34.114 1.00 0.00 ATOM 369 OE1 GLN 44 15.007 56.878 33.474 1.00 0.00 ATOM 370 NE2 GLN 44 16.729 56.934 34.912 1.00 0.00 ATOM 371 O GLN 44 13.212 52.523 35.908 1.00 0.00 ATOM 372 C GLN 44 14.444 52.494 36.014 1.00 0.00 ATOM 373 N HIS 45 15.063 52.308 37.168 1.00 0.00 ATOM 374 CA HIS 45 14.320 52.293 38.445 1.00 0.00 ATOM 375 CB HIS 45 15.137 51.589 39.531 1.00 0.00 ATOM 376 CG HIS 45 15.319 50.122 39.295 1.00 0.00 ATOM 377 CD2 HIS 45 16.392 49.278 38.788 1.00 0.00 ATOM 378 ND1 HIS 45 14.337 49.197 39.568 1.00 0.00 ATOM 379 CE1 HIS 45 14.792 47.971 39.255 1.00 0.00 ATOM 380 NE2 HIS 45 16.024 48.011 38.785 1.00 0.00 ATOM 381 O HIS 45 14.857 54.634 38.663 1.00 0.00 ATOM 382 C HIS 45 14.036 53.736 38.877 1.00 0.00 ATOM 383 N ASP 46 12.854 53.940 39.435 1.00 0.00 ATOM 384 CA ASP 46 12.488 55.271 39.890 1.00 0.00 ATOM 385 CB ASP 46 11.057 55.280 40.430 1.00 0.00 ATOM 386 CG ASP 46 10.019 55.179 39.331 1.00 0.00 ATOM 387 OD1 ASP 46 10.387 55.338 38.148 1.00 0.00 ATOM 388 OD2 ASP 46 8.836 54.938 39.652 1.00 0.00 ATOM 389 O ASP 46 13.862 56.860 41.026 1.00 0.00 ATOM 390 C ASP 46 13.424 55.723 41.002 1.00 0.00 ATOM 391 N GLN 47 13.751 54.801 41.899 1.00 0.00 ATOM 392 CA GLN 47 14.640 55.120 43.002 1.00 0.00 ATOM 393 CB GLN 47 14.757 53.930 43.956 1.00 0.00 ATOM 394 CG GLN 47 13.463 53.580 44.673 1.00 0.00 ATOM 395 CD GLN 47 13.581 52.320 45.507 1.00 0.00 ATOM 396 OE1 GLN 47 14.582 51.606 45.432 1.00 0.00 ATOM 397 NE2 GLN 47 12.558 52.042 46.305 1.00 0.00 ATOM 398 O GLN 47 16.684 56.360 43.005 1.00 0.00 ATOM 399 C GLN 47 16.041 55.463 42.493 1.00 0.00 ATOM 400 N GLU 48 16.482 56.045 40.694 1.00 0.00 ATOM 401 CA GLU 48 17.424 57.032 40.171 1.00 0.00 ATOM 402 CB GLU 48 17.504 58.243 41.104 1.00 0.00 ATOM 403 CG GLU 48 18.349 59.387 40.567 1.00 0.00 ATOM 404 CD GLU 48 18.359 60.588 41.490 1.00 0.00 ATOM 405 OE1 GLU 48 17.626 60.565 42.501 1.00 0.00 ATOM 406 OE2 GLU 48 19.099 61.552 41.203 1.00 0.00 ATOM 407 O GLU 48 19.359 55.906 41.036 1.00 0.00 ATOM 408 C GLU 48 18.805 56.395 40.051 1.00 0.00 ATOM 409 N ASN 49 19.340 56.390 38.834 1.00 0.00 ATOM 410 CA ASN 49 20.657 55.813 38.555 1.00 0.00 ATOM 411 CB ASN 49 21.712 56.449 39.460 1.00 0.00 ATOM 412 CG ASN 49 21.960 57.908 39.132 1.00 0.00 ATOM 413 ND2 ASN 49 22.348 58.683 40.138 1.00 0.00 ATOM 414 OD1 ASN 49 21.805 58.331 37.987 1.00 0.00 ATOM 415 O ASN 49 21.868 53.752 38.853 1.00 0.00 ATOM 416 C ASN 49 20.770 54.301 38.770 1.00 0.00 ATOM 417 N GLN 50 19.632 53.629 38.859 1.00 0.00 ATOM 418 CA GLN 50 19.627 52.184 39.024 1.00 0.00 ATOM 419 CB GLN 50 18.920 51.795 40.323 1.00 0.00 ATOM 420 CG GLN 50 19.624 52.276 41.582 1.00 0.00 ATOM 421 CD GLN 50 18.905 51.858 42.848 1.00 0.00 ATOM 422 OE1 GLN 50 17.882 51.174 42.796 1.00 0.00 ATOM 423 NE2 GLN 50 19.438 52.270 43.993 1.00 0.00 ATOM 424 O GLN 50 17.769 52.261 37.512 1.00 0.00 ATOM 425 C GLN 50 18.865 51.751 37.774 1.00 0.00 ATOM 426 N VAL 51 19.480 50.849 37.032 1.00 0.00 ATOM 427 CA VAL 51 18.824 50.360 35.813 1.00 0.00 ATOM 428 CB VAL 51 19.494 50.922 34.547 1.00 0.00 ATOM 429 CG1 VAL 51 19.382 52.439 34.511 1.00 0.00 ATOM 430 CG2 VAL 51 20.970 50.550 34.515 1.00 0.00 ATOM 431 O VAL 51 19.740 48.248 36.465 1.00 0.00 ATOM 432 C VAL 51 18.898 48.831 35.780 1.00 0.00 ATOM 433 N THR 52 17.969 48.233 35.052 1.00 0.00 ATOM 434 CA THR 52 17.930 46.761 34.864 1.00 0.00 ATOM 435 CB THR 52 16.610 46.155 35.376 1.00 0.00 ATOM 436 CG2 THR 52 16.595 44.650 35.159 1.00 0.00 ATOM 437 OG1 THR 52 16.469 46.423 36.777 1.00 0.00 ATOM 438 O THR 52 17.369 47.177 32.567 1.00 0.00 ATOM 439 C THR 52 18.057 46.529 33.363 1.00 0.00 ATOM 440 N SER 53 18.955 45.629 32.978 1.00 0.00 ATOM 441 CA SER 53 19.146 45.285 31.575 1.00 0.00 ATOM 442 CB SER 53 20.578 45.608 31.146 1.00 0.00 ATOM 443 OG SER 53 20.821 46.999 31.081 1.00 0.00 ATOM 444 O SER 53 19.325 43.018 32.318 1.00 0.00 ATOM 445 C SER 53 18.848 43.810 31.490 1.00 0.00 ATOM 446 N LEU 54 18.051 43.449 30.496 1.00 0.00 ATOM 447 CA LEU 54 17.676 42.063 30.312 1.00 0.00 ATOM 448 CB LEU 54 16.161 41.909 30.428 1.00 0.00 ATOM 449 CG LEU 54 15.579 40.510 30.202 1.00 0.00 ATOM 450 CD1 LEU 54 16.156 39.530 31.216 1.00 0.00 ATOM 451 CD2 LEU 54 14.063 40.570 30.318 1.00 0.00 ATOM 452 O LEU 54 17.708 42.183 27.915 1.00 0.00 ATOM 453 C LEU 54 18.062 41.572 28.923 1.00 0.00 ATOM 454 N ILE 55 18.756 40.469 28.933 1.00 0.00 ATOM 455 CA ILE 55 19.170 39.845 27.685 1.00 0.00 ATOM 456 CB ILE 55 20.680 39.540 27.678 1.00 0.00 ATOM 457 CG1 ILE 55 21.485 40.830 27.851 1.00 0.00 ATOM 458 CG2 ILE 55 21.086 38.889 26.364 1.00 0.00 ATOM 459 CD1 ILE 55 22.965 40.600 28.067 1.00 0.00 ATOM 460 O ILE 55 18.444 37.676 28.401 1.00 0.00 ATOM 461 C ILE 55 18.403 38.558 27.529 1.00 0.00 ATOM 462 N VAL 56 17.667 38.442 26.438 1.00 0.00 ATOM 463 CA VAL 56 16.933 37.207 26.232 1.00 0.00 ATOM 464 CB VAL 56 15.471 37.487 25.836 1.00 0.00 ATOM 465 CG1 VAL 56 14.729 36.184 25.583 1.00 0.00 ATOM 466 CG2 VAL 56 14.753 38.242 26.944 1.00 0.00 ATOM 467 O VAL 56 17.918 37.012 24.066 1.00 0.00 ATOM 468 C VAL 56 17.651 36.460 25.125 1.00 0.00 ATOM 469 N ILE 57 17.971 35.205 25.389 1.00 0.00 ATOM 470 CA ILE 57 18.641 34.392 24.407 1.00 0.00 ATOM 471 CB ILE 57 20.015 33.906 24.905 1.00 0.00 ATOM 472 CG1 ILE 57 20.931 35.098 25.191 1.00 0.00 ATOM 473 CG2 ILE 57 20.681 33.028 23.856 1.00 0.00 ATOM 474 CD1 ILE 57 22.215 34.724 25.896 1.00 0.00 ATOM 475 O ILE 57 17.361 32.490 25.085 1.00 0.00 ATOM 476 C ILE 57 17.747 33.208 24.154 1.00 0.00 ATOM 477 N LEU 58 17.385 33.014 22.889 1.00 0.00 ATOM 478 CA LEU 58 16.522 31.894 22.519 1.00 0.00 ATOM 479 CB LEU 58 15.260 32.405 21.821 1.00 0.00 ATOM 480 CG LEU 58 14.367 33.345 22.634 1.00 0.00 ATOM 481 CD1 LEU 58 13.229 33.878 21.780 1.00 0.00 ATOM 482 CD2 LEU 58 13.767 32.615 23.827 1.00 0.00 ATOM 483 O LEU 58 17.844 31.437 20.575 1.00 0.00 ATOM 484 C LEU 58 17.285 30.987 21.578 1.00 0.00 ATOM 485 N SER 59 17.292 29.704 21.900 1.00 0.00 ATOM 486 CA SER 59 18.001 28.720 21.097 1.00 0.00 ATOM 487 CB SER 59 19.169 28.130 21.891 1.00 0.00 ATOM 488 OG SER 59 20.133 29.125 22.194 1.00 0.00 ATOM 489 O SER 59 16.337 27.070 21.543 1.00 0.00 ATOM 490 C SER 59 17.065 27.600 20.707 1.00 0.00 ATOM 491 N PHE 60 17.068 27.275 19.417 1.00 0.00 ATOM 492 CA PHE 60 16.220 26.227 18.867 1.00 0.00 ATOM 493 CB PHE 60 15.181 26.824 17.915 1.00 0.00 ATOM 494 CG PHE 60 14.248 27.802 18.571 1.00 0.00 ATOM 495 CD1 PHE 60 14.529 29.156 18.567 1.00 0.00 ATOM 496 CD2 PHE 60 13.089 27.367 19.191 1.00 0.00 ATOM 497 CE1 PHE 60 13.671 30.056 19.171 1.00 0.00 ATOM 498 CE2 PHE 60 12.233 28.266 19.794 1.00 0.00 ATOM 499 CZ PHE 60 12.518 29.606 19.785 1.00 0.00 ATOM 500 O PHE 60 17.641 25.611 17.043 1.00 0.00 ATOM 501 C PHE 60 17.023 25.237 18.036 1.00 0.00 ATOM 502 N MET 61 17.010 23.974 18.427 1.00 0.00 ATOM 503 CA MET 61 17.742 22.967 17.685 1.00 0.00 ATOM 504 CB MET 61 18.639 22.142 18.610 1.00 0.00 ATOM 505 CG MET 61 19.354 20.993 17.898 1.00 0.00 ATOM 506 SD MET 61 20.367 19.975 18.979 1.00 0.00 ATOM 507 CE MET 61 21.866 20.973 19.054 1.00 0.00 ATOM 508 O MET 61 15.927 21.396 17.751 1.00 0.00 ATOM 509 C MET 61 16.793 21.962 17.068 1.00 0.00 ATOM 510 N ILE 62 16.955 21.739 15.768 1.00 0.00 ATOM 511 CA ILE 62 16.093 20.804 15.061 1.00 0.00 ATOM 512 CB ILE 62 15.163 21.531 14.072 1.00 0.00 ATOM 513 CG1 ILE 62 15.985 22.295 13.031 1.00 0.00 ATOM 514 CG2 ILE 62 14.275 22.524 14.807 1.00 0.00 ATOM 515 CD1 ILE 62 15.157 22.883 11.910 1.00 0.00 ATOM 516 O ILE 62 17.975 20.058 13.798 1.00 0.00 ATOM 517 C ILE 62 16.873 19.786 14.260 1.00 0.00 ATOM 518 N VAL 63 16.287 18.602 14.126 1.00 0.00 ATOM 519 CA VAL 63 16.868 17.507 13.363 1.00 0.00 ATOM 520 CB VAL 63 17.069 16.255 14.235 1.00 0.00 ATOM 521 CG1 VAL 63 17.806 15.175 13.457 1.00 0.00 ATOM 522 CG2 VAL 63 17.885 16.594 15.474 1.00 0.00 ATOM 523 O VAL 63 14.906 16.448 12.399 1.00 0.00 ATOM 524 C VAL 63 15.817 17.284 12.264 1.00 0.00 ATOM 525 N PHE 64 15.955 18.244 11.252 1.00 0.00 ATOM 526 CA PHE 64 15.009 18.273 10.123 1.00 0.00 ATOM 527 CB PHE 64 14.635 16.851 9.701 1.00 0.00 ATOM 528 CG PHE 64 15.783 16.063 9.138 1.00 0.00 ATOM 529 CD1 PHE 64 16.479 15.165 9.930 1.00 0.00 ATOM 530 CD2 PHE 64 16.169 16.220 7.819 1.00 0.00 ATOM 531 CE1 PHE 64 17.536 14.441 9.413 1.00 0.00 ATOM 532 CE2 PHE 64 17.226 15.495 7.301 1.00 0.00 ATOM 533 CZ PHE 64 17.908 14.609 8.093 1.00 0.00 ATOM 534 O PHE 64 13.720 20.221 10.649 1.00 0.00 ATOM 535 C PHE 64 13.732 18.996 10.496 1.00 0.00 ATOM 536 N ASP 65 12.655 18.235 10.656 1.00 0.00 ATOM 537 CA ASP 65 11.359 18.803 11.027 1.00 0.00 ATOM 538 CB ASP 65 10.264 18.235 10.121 1.00 0.00 ATOM 539 CG ASP 65 10.489 18.567 8.659 1.00 0.00 ATOM 540 OD1 ASP 65 10.736 19.751 8.349 1.00 0.00 ATOM 541 OD2 ASP 65 10.418 17.641 7.822 1.00 0.00 ATOM 542 O ASP 65 10.111 18.920 13.053 1.00 0.00 ATOM 543 C ASP 65 11.096 18.440 12.482 1.00 0.00 ATOM 544 N LYS 66 11.898 17.597 13.081 1.00 0.00 ATOM 545 CA LYS 66 11.723 17.192 14.467 1.00 0.00 ATOM 546 CB LYS 66 11.958 15.685 14.609 1.00 0.00 ATOM 547 CG LYS 66 11.190 14.827 13.588 1.00 0.00 ATOM 548 CD LYS 66 9.695 14.946 13.787 1.00 0.00 ATOM 549 CE LYS 66 8.926 13.980 12.911 1.00 0.00 ATOM 550 NZ LYS 66 7.467 14.098 13.180 1.00 0.00 ATOM 551 O LYS 66 13.810 17.959 15.316 1.00 0.00 ATOM 552 C LYS 66 12.583 18.019 15.411 1.00 0.00 ATOM 553 N PHE 67 11.899 18.865 16.278 1.00 0.00 ATOM 554 CA PHE 67 12.686 19.716 17.169 1.00 0.00 ATOM 555 CB PHE 67 11.734 20.661 17.907 1.00 0.00 ATOM 556 CG PHE 67 11.190 21.767 17.048 1.00 0.00 ATOM 557 CD1 PHE 67 9.918 21.679 16.508 1.00 0.00 ATOM 558 CD2 PHE 67 11.948 22.892 16.778 1.00 0.00 ATOM 559 CE1 PHE 67 9.417 22.696 15.716 1.00 0.00 ATOM 560 CE2 PHE 67 11.448 23.909 15.988 1.00 0.00 ATOM 561 CZ PHE 67 10.186 23.813 15.458 1.00 0.00 ATOM 562 O PHE 67 12.786 18.089 18.931 1.00 0.00 ATOM 563 C PHE 67 13.402 18.902 18.247 1.00 0.00 ATOM 564 N VAL 68 14.712 19.109 18.362 1.00 0.00 ATOM 565 CA VAL 68 15.537 18.414 19.349 1.00 0.00 ATOM 566 CB VAL 68 17.033 18.517 18.995 1.00 0.00 ATOM 567 CG1 VAL 68 17.883 17.885 20.085 1.00 0.00 ATOM 568 CG2 VAL 68 17.320 17.800 17.685 1.00 0.00 ATOM 569 O VAL 68 14.705 18.392 21.606 1.00 0.00 ATOM 570 C VAL 68 15.262 19.044 20.710 1.00 0.00 ATOM 571 N ILE 69 15.429 20.260 20.854 1.00 0.00 ATOM 572 CA ILE 69 15.206 21.013 22.087 1.00 0.00 ATOM 573 CB ILE 69 16.277 20.674 23.165 1.00 0.00 ATOM 574 CG1 ILE 69 17.673 21.086 22.726 1.00 0.00 ATOM 575 CG2 ILE 69 16.203 19.216 23.547 1.00 0.00 ATOM 576 CD1 ILE 69 18.675 21.036 23.858 1.00 0.00 ATOM 577 O ILE 69 15.663 23.073 20.975 1.00 0.00 ATOM 578 C ILE 69 15.105 22.507 21.912 1.00 0.00 ATOM 579 N SER 70 14.380 23.143 22.819 1.00 0.00 ATOM 580 CA SER 70 14.229 24.592 22.803 1.00 0.00 ATOM 581 CB SER 70 12.756 24.967 22.621 1.00 0.00 ATOM 582 OG SER 70 12.580 26.372 22.653 1.00 0.00 ATOM 583 O SER 70 14.434 24.557 25.195 1.00 0.00 ATOM 584 C SER 70 14.757 25.113 24.145 1.00 0.00 ATOM 585 N GLY 71 15.580 26.157 24.097 1.00 0.00 ATOM 586 CA GLY 71 16.164 26.757 25.297 1.00 0.00 ATOM 587 O GLY 71 16.279 28.985 24.366 1.00 0.00 ATOM 588 C GLY 71 15.967 28.267 25.323 1.00 0.00 ATOM 589 N THR 72 15.381 28.810 26.332 1.00 0.00 ATOM 590 CA THR 72 15.193 30.246 26.439 1.00 0.00 ATOM 591 CB THR 72 13.736 30.642 26.252 1.00 0.00 ATOM 592 CG2 THR 72 13.224 30.225 24.896 1.00 0.00 ATOM 593 OG1 THR 72 12.937 29.941 27.225 1.00 0.00 ATOM 594 O THR 72 15.598 29.949 28.794 1.00 0.00 ATOM 595 C THR 72 15.756 30.660 27.808 1.00 0.00 ATOM 596 N ILE 73 16.399 31.765 27.821 1.00 0.00 ATOM 597 CA ILE 73 16.898 32.301 29.080 1.00 0.00 ATOM 598 CB ILE 73 18.365 31.871 29.262 1.00 0.00 ATOM 599 CG1 ILE 73 18.905 32.371 30.604 1.00 0.00 ATOM 600 CG2 ILE 73 19.231 32.446 28.151 1.00 0.00 ATOM 601 CD1 ILE 73 20.230 31.758 30.996 1.00 0.00 ATOM 602 O ILE 73 17.103 34.437 28.049 1.00 0.00 ATOM 603 C ILE 73 16.816 33.805 29.069 1.00 0.00 ATOM 604 N SER 74 16.376 34.361 30.196 1.00 0.00 ATOM 605 CA SER 74 16.271 35.801 30.384 1.00 0.00 ATOM 606 CB SER 74 14.869 36.196 30.856 1.00 0.00 ATOM 607 OG SER 74 13.896 35.890 29.872 1.00 0.00 ATOM 608 O SER 74 17.125 35.792 32.627 1.00 0.00 ATOM 609 C SER 74 17.317 36.087 31.439 1.00 0.00 ATOM 610 N GLN 75 18.448 36.612 30.994 1.00 0.00 ATOM 611 CA GLN 75 19.531 36.926 31.903 1.00 0.00 ATOM 612 CB GLN 75 20.881 36.586 31.268 1.00 0.00 ATOM 613 CG GLN 75 22.074 36.821 32.180 1.00 0.00 ATOM 614 CD GLN 75 23.387 36.425 31.535 1.00 0.00 ATOM 615 OE1 GLN 75 23.407 35.865 30.439 1.00 0.00 ATOM 616 NE2 GLN 75 24.490 36.714 32.216 1.00 0.00 ATOM 617 O GLN 75 19.574 39.227 31.293 1.00 0.00 ATOM 618 C GLN 75 19.434 38.400 32.196 1.00 0.00 ATOM 619 N VAL 76 19.211 38.721 33.460 1.00 0.00 ATOM 620 CA VAL 76 19.082 40.107 33.844 1.00 0.00 ATOM 621 CB VAL 76 17.889 40.313 34.791 1.00 0.00 ATOM 622 CG1 VAL 76 17.857 41.753 35.286 1.00 0.00 ATOM 623 CG2 VAL 76 16.600 39.973 34.057 1.00 0.00 ATOM 624 O VAL 76 20.895 39.810 35.383 1.00 0.00 ATOM 625 C VAL 76 20.183 40.593 34.750 1.00 0.00 ATOM 626 N ASN 77 20.331 41.910 34.798 1.00 0.00 ATOM 627 CA ASN 77 21.333 42.503 35.650 1.00 0.00 ATOM 628 CB ASN 77 22.638 42.611 34.859 1.00 0.00 ATOM 629 CG ASN 77 23.805 43.055 35.718 1.00 0.00 ATOM 630 ND2 ASN 77 24.773 42.165 35.906 1.00 0.00 ATOM 631 OD1 ASN 77 23.834 44.185 36.206 1.00 0.00 ATOM 632 O ASN 77 20.218 44.598 35.380 1.00 0.00 ATOM 633 C ASN 77 20.905 43.881 36.105 1.00 0.00 ATOM 634 N HIS 78 21.286 44.236 37.327 1.00 0.00 ATOM 635 CA HIS 78 21.000 45.552 37.869 1.00 0.00 ATOM 636 CB HIS 78 20.453 45.450 39.294 1.00 0.00 ATOM 637 CG HIS 78 19.105 44.801 39.377 1.00 0.00 ATOM 638 CD2 HIS 78 18.237 44.090 38.452 1.00 0.00 ATOM 639 ND1 HIS 78 18.362 44.776 40.538 1.00 0.00 ATOM 640 CE1 HIS 78 17.207 44.128 40.305 1.00 0.00 ATOM 641 NE2 HIS 78 17.125 43.715 39.055 1.00 0.00 ATOM 642 O HIS 78 23.340 45.824 38.376 1.00 0.00 ATOM 643 C HIS 78 22.321 46.318 37.877 1.00 0.00 ATOM 644 N ILE 79 22.296 47.517 37.301 1.00 0.00 ATOM 645 CA ILE 79 23.480 48.363 37.195 1.00 0.00 ATOM 646 CB ILE 79 23.916 48.530 35.728 1.00 0.00 ATOM 647 CG1 ILE 79 24.273 47.172 35.121 1.00 0.00 ATOM 648 CG2 ILE 79 25.135 49.436 35.634 1.00 0.00 ATOM 649 CD1 ILE 79 24.495 47.211 33.625 1.00 0.00 ATOM 650 O ILE 79 22.289 50.413 37.582 1.00 0.00 ATOM 651 C ILE 79 23.332 49.779 37.754 1.00 0.00 ATOM 652 N ASP 80 24.375 50.256 38.376 1.00 0.00 ATOM 653 CA ASP 80 24.357 51.610 38.922 1.00 0.00 ATOM 654 CB ASP 80 23.958 51.484 40.369 1.00 0.00 ATOM 655 CG ASP 80 23.896 52.848 41.018 1.00 0.00 ATOM 656 OD1 ASP 80 24.688 53.732 40.634 1.00 0.00 ATOM 657 OD2 ASP 80 23.060 53.024 41.932 1.00 0.00 ATOM 658 O ASP 80 26.651 51.170 39.469 1.00 0.00 ATOM 659 C ASP 80 25.783 52.023 39.264 1.00 0.00 ATOM 660 N GLY 81 26.026 53.331 39.306 1.00 0.00 ATOM 661 CA GLY 81 27.349 53.827 39.631 1.00 0.00 ATOM 662 O GLY 81 29.118 54.605 38.221 1.00 0.00 ATOM 663 C GLY 81 27.974 54.131 38.283 1.00 0.00 ATOM 664 N ARG 82 27.152 53.804 37.152 1.00 0.00 ATOM 665 CA ARG 82 27.656 54.019 35.806 1.00 0.00 ATOM 666 CB ARG 82 27.092 53.028 34.814 1.00 0.00 ATOM 667 CG ARG 82 27.364 53.439 33.371 1.00 0.00 ATOM 668 CD ARG 82 26.804 52.417 32.395 1.00 0.00 ATOM 669 NE ARG 82 26.970 52.828 31.002 1.00 0.00 ATOM 670 CZ ARG 82 26.515 52.138 29.960 1.00 0.00 ATOM 671 NH1 ARG 82 25.863 50.997 30.150 1.00 0.00 ATOM 672 NH2 ARG 82 26.707 52.588 28.728 1.00 0.00 ATOM 673 O ARG 82 25.900 55.386 34.956 1.00 0.00 ATOM 674 C ARG 82 27.056 55.342 35.362 1.00 0.00 ATOM 675 N ILE 83 27.822 56.424 35.453 1.00 0.00 ATOM 676 CA ILE 83 27.302 57.721 35.044 1.00 0.00 ATOM 677 CB ILE 83 27.334 58.734 36.203 1.00 0.00 ATOM 678 CG1 ILE 83 26.459 58.248 37.360 1.00 0.00 ATOM 679 CG2 ILE 83 26.817 60.087 35.743 1.00 0.00 ATOM 680 CD1 ILE 83 26.629 59.050 38.632 1.00 0.00 ATOM 681 O ILE 83 29.349 58.119 33.869 1.00 0.00 ATOM 682 C ILE 83 28.133 58.283 33.904 1.00 0.00 ATOM 683 N VAL 84 27.469 58.934 32.960 1.00 0.00 ATOM 684 CA VAL 84 28.173 59.517 31.825 1.00 0.00 ATOM 685 CB VAL 84 27.076 58.741 30.546 1.00 0.00 ATOM 686 CG1 VAL 84 26.364 57.456 30.969 1.00 0.00 ATOM 687 CG2 VAL 84 26.069 59.893 30.352 1.00 0.00 ATOM 688 O VAL 84 29.100 61.561 31.066 1.00 0.00 ATOM 689 C VAL 84 28.508 60.983 31.968 1.00 0.00 ATOM 690 N ASN 85 29.526 61.426 33.154 1.00 0.00 ATOM 691 CA ASN 85 29.645 62.865 33.290 1.00 0.00 ATOM 692 CB ASN 85 30.396 63.386 31.952 1.00 0.00 ATOM 693 CG ASN 85 31.490 62.497 31.368 1.00 0.00 ATOM 694 ND2 ASN 85 32.443 62.110 32.211 1.00 0.00 ATOM 695 OD1 ASN 85 31.480 62.161 30.177 1.00 0.00 ATOM 696 O ASN 85 28.496 64.938 33.370 1.00 0.00 ATOM 697 C ASN 85 28.402 63.723 33.266 1.00 0.00 ATOM 698 N GLU 86 27.237 63.115 33.128 1.00 0.00 ATOM 699 CA GLU 86 26.004 63.887 33.111 1.00 0.00 ATOM 700 CB GLU 86 24.913 63.138 32.343 1.00 0.00 ATOM 701 CG GLU 86 25.235 62.905 30.876 1.00 0.00 ATOM 702 CD GLU 86 25.257 64.190 30.073 1.00 0.00 ATOM 703 OE1 GLU 86 24.761 65.216 30.581 1.00 0.00 ATOM 704 OE2 GLU 86 25.770 64.169 28.933 1.00 0.00 ATOM 705 O GLU 86 26.055 63.523 35.488 1.00 0.00 ATOM 706 C GLU 86 25.528 64.122 34.550 1.00 0.00 ATOM 707 N PRO 87 24.558 65.013 34.724 1.00 0.00 ATOM 708 CA PRO 87 24.033 65.306 36.053 1.00 0.00 ATOM 709 CB PRO 87 22.817 66.194 35.784 1.00 0.00 ATOM 710 CG PRO 87 23.110 66.840 34.473 1.00 0.00 ATOM 711 CD PRO 87 23.808 65.800 33.641 1.00 0.00 ATOM 712 O PRO 87 23.321 63.025 36.110 1.00 0.00 ATOM 713 C PRO 87 23.658 64.012 36.755 1.00 0.00 ATOM 714 N SER 88 23.783 64.028 38.102 1.00 0.00 ATOM 715 CA SER 88 23.482 62.856 38.908 1.00 0.00 ATOM 716 CB SER 88 23.563 63.195 40.399 1.00 0.00 ATOM 717 OG SER 88 22.582 64.151 40.758 1.00 0.00 ATOM 718 O SER 88 21.759 61.171 38.795 1.00 0.00 ATOM 719 C SER 88 22.071 62.345 38.609 1.00 0.00 ATOM 720 N GLU 89 21.208 63.246 38.164 1.00 0.00 ATOM 721 CA GLU 89 19.852 62.877 37.847 1.00 0.00 ATOM 722 CB GLU 89 18.893 63.379 38.928 1.00 0.00 ATOM 723 CG GLU 89 17.455 62.918 38.745 1.00 0.00 ATOM 724 CD GLU 89 16.540 63.417 39.845 1.00 0.00 ATOM 725 OE1 GLU 89 17.017 64.166 40.723 1.00 0.00 ATOM 726 OE2 GLU 89 15.343 63.058 39.829 1.00 0.00 ATOM 727 O GLU 89 19.022 64.649 36.445 1.00 0.00 ATOM 728 C GLU 89 19.483 63.504 36.508 1.00 0.00 ATOM 729 N LEU 90 19.766 62.788 35.410 1.00 0.00 ATOM 730 CA LEU 90 19.473 63.248 34.048 1.00 0.00 ATOM 731 CB LEU 90 19.981 62.236 33.018 1.00 0.00 ATOM 732 CG LEU 90 21.499 62.054 32.939 1.00 0.00 ATOM 733 CD1 LEU 90 21.857 60.934 31.974 1.00 0.00 ATOM 734 CD2 LEU 90 22.170 63.331 32.457 1.00 0.00 ATOM 735 O LEU 90 17.155 63.031 34.578 1.00 0.00 ATOM 736 C LEU 90 17.986 63.424 33.772 1.00 0.00 ATOM 737 N ASN 91 17.681 64.044 32.630 1.00 0.00 ATOM 738 CA ASN 91 16.313 64.294 32.195 1.00 0.00 ATOM 739 CB ASN 91 16.223 65.433 31.185 1.00 0.00 ATOM 740 CG ASN 91 16.516 66.812 31.736 1.00 0.00 ATOM 741 ND2 ASN 91 17.252 67.639 31.165 1.00 0.00 ATOM 742 OD1 ASN 91 15.993 67.190 32.903 1.00 0.00 ATOM 743 O ASN 91 16.579 62.156 31.135 1.00 0.00 ATOM 744 C ASN 91 15.796 62.984 31.599 1.00 0.00 ATOM 745 N GLN 92 14.478 62.759 31.681 1.00 0.00 ATOM 746 CA GLN 92 13.868 61.535 31.174 1.00 0.00 ATOM 747 CB GLN 92 12.331 61.644 31.332 1.00 0.00 ATOM 748 CG GLN 92 11.886 61.993 32.750 1.00 0.00 ATOM 749 CD GLN 92 10.387 62.015 32.897 1.00 0.00 ATOM 750 OE1 GLN 92 9.685 62.618 32.081 1.00 0.00 ATOM 751 NE2 GLN 92 9.891 61.372 33.942 1.00 0.00 ATOM 752 O GLN 92 14.493 60.106 29.367 1.00 0.00 ATOM 753 C GLN 92 14.206 61.248 29.722 1.00 0.00 ATOM 754 N GLU 93 14.190 62.289 28.858 1.00 0.00 ATOM 755 CA GLU 93 14.491 62.111 27.444 1.00 0.00 ATOM 756 CB GLU 93 14.272 63.428 26.695 1.00 0.00 ATOM 757 CG GLU 93 14.531 63.342 25.201 1.00 0.00 ATOM 758 CD GLU 93 14.269 64.654 24.488 1.00 0.00 ATOM 759 OE1 GLU 93 13.871 65.628 25.161 1.00 0.00 ATOM 760 OE2 GLU 93 14.464 64.709 23.255 1.00 0.00 ATOM 761 O GLU 93 16.198 60.765 26.459 1.00 0.00 ATOM 762 C GLU 93 15.937 61.694 27.220 1.00 0.00 ATOM 763 N GLU 94 16.897 62.357 27.870 1.00 0.00 ATOM 764 CA GLU 94 18.299 62.004 27.679 1.00 0.00 ATOM 765 CB GLU 94 19.205 63.000 28.406 1.00 0.00 ATOM 766 CG GLU 94 19.231 64.386 27.781 1.00 0.00 ATOM 767 CD GLU 94 20.040 65.376 28.596 1.00 0.00 ATOM 768 OE1 GLU 94 20.520 64.999 29.684 1.00 0.00 ATOM 769 OE2 GLU 94 20.192 66.531 28.146 1.00 0.00 ATOM 770 O GLU 94 19.360 59.861 27.663 1.00 0.00 ATOM 771 C GLU 94 18.563 60.606 28.227 1.00 0.00 ATOM 772 N VAL 95 17.896 60.254 29.325 1.00 0.00 ATOM 773 CA VAL 95 18.079 58.936 29.923 1.00 0.00 ATOM 774 CB VAL 95 17.326 58.792 31.240 1.00 0.00 ATOM 775 CG1 VAL 95 17.520 57.383 31.801 1.00 0.00 ATOM 776 CG2 VAL 95 17.849 59.824 32.234 1.00 0.00 ATOM 777 O VAL 95 18.237 56.830 28.798 1.00 0.00 ATOM 778 C VAL 95 17.598 57.865 28.944 1.00 0.00 ATOM 779 N GLU 96 16.522 58.154 28.232 1.00 0.00 ATOM 780 CA GLU 96 16.009 57.222 27.232 1.00 0.00 ATOM 781 CB GLU 96 14.736 57.772 26.588 1.00 0.00 ATOM 782 CG GLU 96 13.526 57.777 27.509 1.00 0.00 ATOM 783 CD GLU 96 12.317 58.442 26.880 1.00 0.00 ATOM 784 OE1 GLU 96 12.446 58.963 25.752 1.00 0.00 ATOM 785 OE2 GLU 96 11.242 58.440 27.514 1.00 0.00 ATOM 786 O GLU 96 17.256 55.879 25.688 1.00 0.00 ATOM 787 C GLU 96 17.060 57.005 26.150 1.00 0.00 ATOM 788 N THR 97 17.750 58.076 25.760 1.00 0.00 ATOM 789 CA THR 97 18.794 57.963 24.747 1.00 0.00 ATOM 790 CB THR 97 19.314 59.319 24.334 1.00 0.00 ATOM 791 CG2 THR 97 20.341 59.233 23.192 1.00 0.00 ATOM 792 OG1 THR 97 18.223 60.092 23.852 1.00 0.00 ATOM 793 O THR 97 20.520 56.306 24.589 1.00 0.00 ATOM 794 C THR 97 19.926 57.108 25.307 1.00 0.00 ATOM 795 N LEU 98 20.217 57.278 26.597 1.00 0.00 ATOM 796 CA LEU 98 21.268 56.494 27.250 1.00 0.00 ATOM 797 CB LEU 98 21.452 56.948 28.700 1.00 0.00 ATOM 798 CG LEU 98 22.512 56.204 29.515 1.00 0.00 ATOM 799 CD1 LEU 98 23.889 56.385 28.897 1.00 0.00 ATOM 800 CD2 LEU 98 22.558 56.727 30.942 1.00 0.00 ATOM 801 O LEU 98 21.713 54.154 26.932 1.00 0.00 ATOM 802 C LEU 98 20.886 55.013 27.235 1.00 0.00 ATOM 803 N ALA 99 19.638 54.713 27.582 1.00 0.00 ATOM 804 CA ALA 99 19.196 53.327 27.580 1.00 0.00 ATOM 805 CB ALA 99 17.756 53.230 28.062 1.00 0.00 ATOM 806 O ALA 99 19.612 51.561 26.006 1.00 0.00 ATOM 807 C ALA 99 19.264 52.730 26.178 1.00 0.00 ATOM 808 N ARG 100 18.920 53.540 25.166 1.00 0.00 ATOM 809 CA ARG 100 18.960 53.071 23.783 1.00 0.00 ATOM 810 CB ARG 100 18.525 54.184 22.828 1.00 0.00 ATOM 811 CG ARG 100 17.045 54.521 22.899 1.00 0.00 ATOM 812 CD ARG 100 16.692 55.663 21.959 1.00 0.00 ATOM 813 NE ARG 100 15.282 56.032 22.051 1.00 0.00 ATOM 814 CZ ARG 100 14.726 57.035 21.379 1.00 0.00 ATOM 815 NH1 ARG 100 13.436 57.297 21.526 1.00 0.00 ATOM 816 NH2 ARG 100 15.463 57.773 20.561 1.00 0.00 ATOM 817 O ARG 100 20.614 51.568 22.996 1.00 0.00 ATOM 818 C ARG 100 20.409 52.679 23.518 1.00 0.00 ATOM 819 N PRO 101 21.358 53.512 23.831 1.00 0.00 ATOM 820 CA PRO 101 22.767 53.097 23.686 1.00 0.00 ATOM 821 CB PRO 101 23.512 54.223 24.423 1.00 0.00 ATOM 822 CG PRO 101 22.693 55.433 24.076 1.00 0.00 ATOM 823 CD PRO 101 21.256 54.945 24.139 1.00 0.00 ATOM 824 O PRO 101 23.959 51.014 23.856 1.00 0.00 ATOM 825 C PRO 101 23.149 51.805 24.373 1.00 0.00 ATOM 826 N CYS 102 22.635 51.565 25.576 1.00 0.00 ATOM 827 CA CYS 102 22.876 50.309 26.256 1.00 0.00 ATOM 828 CB CYS 102 22.255 50.330 27.654 1.00 0.00 ATOM 829 SG CYS 102 23.073 51.446 28.819 1.00 0.00 ATOM 830 O CYS 102 22.899 48.126 25.267 1.00 0.00 ATOM 831 C CYS 102 22.259 49.153 25.464 1.00 0.00 ATOM 832 N LEU 103 21.049 49.352 24.954 1.00 0.00 ATOM 833 CA LEU 103 20.394 48.334 24.164 1.00 0.00 ATOM 834 CB LEU 103 18.995 48.795 23.749 1.00 0.00 ATOM 835 CG LEU 103 17.952 48.883 24.866 1.00 0.00 ATOM 836 CD1 LEU 103 16.674 49.530 24.357 1.00 0.00 ATOM 837 CD2 LEU 103 17.607 47.497 25.390 1.00 0.00 ATOM 838 O LEU 103 21.518 46.940 22.600 1.00 0.00 ATOM 839 C LEU 103 21.238 48.079 22.916 1.00 0.00 ATOM 840 N ASN 104 21.648 49.124 22.214 1.00 0.00 ATOM 841 CA ASN 104 22.456 48.974 21.009 1.00 0.00 ATOM 842 CB ASN 104 22.769 50.342 20.400 1.00 0.00 ATOM 843 CG ASN 104 21.562 50.974 19.733 1.00 0.00 ATOM 844 ND2 ASN 104 21.615 52.286 19.537 1.00 0.00 ATOM 845 OD1 ASN 104 20.595 50.288 19.403 1.00 0.00 ATOM 846 O ASN 104 24.186 47.349 20.671 1.00 0.00 ATOM 847 C ASN 104 23.776 48.298 21.339 1.00 0.00 ATOM 848 N MET 105 24.424 48.757 22.389 1.00 0.00 ATOM 849 CA MET 105 25.692 48.184 22.801 1.00 0.00 ATOM 850 CB MET 105 26.347 48.985 23.929 1.00 0.00 ATOM 851 CG MET 105 26.861 50.351 23.502 1.00 0.00 ATOM 852 SD MET 105 28.125 50.249 22.220 1.00 0.00 ATOM 853 CE MET 105 29.476 49.509 23.134 1.00 0.00 ATOM 854 O MET 105 26.293 45.881 23.019 1.00 0.00 ATOM 855 C MET 105 25.482 46.762 23.296 1.00 0.00 ATOM 856 N LEU 106 24.407 46.533 24.047 1.00 0.00 ATOM 857 CA LEU 106 24.150 45.187 24.555 1.00 0.00 ATOM 858 CB LEU 106 22.897 45.176 25.432 1.00 0.00 ATOM 859 CG LEU 106 23.004 45.898 26.777 1.00 0.00 ATOM 860 CD1 LEU 106 21.647 45.966 27.462 1.00 0.00 ATOM 861 CD2 LEU 106 23.965 45.167 27.703 1.00 0.00 ATOM 862 O LEU 106 24.442 43.068 23.465 1.00 0.00 ATOM 863 C LEU 106 23.944 44.188 23.422 1.00 0.00 ATOM 864 N ASN 107 23.201 44.629 22.409 1.00 0.00 ATOM 865 CA ASN 107 22.912 43.821 21.231 1.00 0.00 ATOM 866 CB ASN 107 21.974 44.572 20.285 1.00 0.00 ATOM 867 CG ASN 107 21.517 43.718 19.118 1.00 0.00 ATOM 868 ND2 ASN 107 21.886 44.124 17.908 1.00 0.00 ATOM 869 OD1 ASN 107 20.841 42.706 19.305 1.00 0.00 ATOM 870 O ASN 107 24.395 42.363 20.050 1.00 0.00 ATOM 871 C ASN 107 24.200 43.497 20.488 1.00 0.00 ATOM 872 N ARG 108 25.077 44.478 20.394 1.00 0.00 ATOM 873 CA ARG 108 26.363 44.289 19.724 1.00 0.00 ATOM 874 CB ARG 108 27.064 45.589 19.449 1.00 0.00 ATOM 875 CG ARG 108 26.272 46.343 18.367 1.00 0.00 ATOM 876 CD ARG 108 26.863 47.690 17.997 1.00 0.00 ATOM 877 NE ARG 108 26.189 48.252 16.820 1.00 0.00 ATOM 878 CZ ARG 108 25.947 49.533 16.586 1.00 0.00 ATOM 879 NH1 ARG 108 26.309 50.465 17.458 1.00 0.00 ATOM 880 NH2 ARG 108 25.321 49.909 15.468 1.00 0.00 ATOM 881 O ARG 108 27.847 42.425 19.960 1.00 0.00 ATOM 882 C ARG 108 27.207 43.300 20.526 1.00 0.00 ATOM 883 N LEU 109 27.227 43.466 21.844 1.00 0.00 ATOM 884 CA LEU 109 27.979 42.566 22.716 1.00 0.00 ATOM 885 CB LEU 109 27.892 43.030 24.172 1.00 0.00 ATOM 886 CG LEU 109 28.628 44.327 24.514 1.00 0.00 ATOM 887 CD1 LEU 109 28.309 44.765 25.935 1.00 0.00 ATOM 888 CD2 LEU 109 30.132 44.137 24.401 1.00 0.00 ATOM 889 O LEU 109 28.131 40.170 22.480 1.00 0.00 ATOM 890 C LEU 109 27.399 41.154 22.605 1.00 0.00 ATOM 891 N THR 110 26.071 41.074 22.637 1.00 0.00 ATOM 892 CA THR 110 25.374 39.800 22.554 1.00 0.00 ATOM 893 CB THR 110 23.855 39.972 22.720 1.00 0.00 ATOM 894 CG2 THR 110 23.131 38.628 22.594 1.00 0.00 ATOM 895 OG1 THR 110 23.588 40.512 24.017 1.00 0.00 ATOM 896 O THR 110 25.936 37.885 21.227 1.00 0.00 ATOM 897 C THR 110 25.689 39.089 21.245 1.00 0.00 ATOM 898 N TYR 111 25.667 39.841 20.150 1.00 0.00 ATOM 899 CA TYR 111 25.951 39.300 18.827 1.00 0.00 ATOM 900 CB TYR 111 25.927 40.413 17.778 1.00 0.00 ATOM 901 CG TYR 111 26.241 39.940 16.376 1.00 0.00 ATOM 902 CD1 TYR 111 25.280 39.288 15.612 1.00 0.00 ATOM 903 CD2 TYR 111 27.497 40.145 15.821 1.00 0.00 ATOM 904 CE1 TYR 111 25.558 38.853 14.332 1.00 0.00 ATOM 905 CE2 TYR 111 27.793 39.715 14.541 1.00 0.00 ATOM 906 CZ TYR 111 26.810 39.065 13.797 1.00 0.00 ATOM 907 OH TYR 111 27.090 38.632 12.521 1.00 0.00 ATOM 908 O TYR 111 27.518 37.562 18.254 1.00 0.00 ATOM 909 C TYR 111 27.328 38.644 18.810 1.00 0.00 ATOM 910 N GLU 112 28.328 39.337 19.425 1.00 0.00 ATOM 911 CA GLU 112 29.670 38.789 19.427 1.00 0.00 ATOM 912 CB GLU 112 30.630 39.724 20.165 1.00 0.00 ATOM 913 CG GLU 112 30.928 41.018 19.426 1.00 0.00 ATOM 914 CD GLU 112 31.781 41.971 20.239 1.00 0.00 ATOM 915 OE1 GLU 112 32.079 41.651 21.409 1.00 0.00 ATOM 916 OE2 GLU 112 32.153 43.038 19.707 1.00 0.00 ATOM 917 O GLU 112 30.482 36.564 19.587 1.00 0.00 ATOM 918 C GLU 112 29.774 37.425 20.106 1.00 0.00 ATOM 919 N VAL 113 29.075 37.267 21.222 1.00 0.00 ATOM 920 CA VAL 113 29.184 35.967 21.927 1.00 0.00 ATOM 921 CB VAL 113 28.912 36.118 23.436 1.00 0.00 ATOM 922 CG1 VAL 113 29.906 37.084 24.063 1.00 0.00 ATOM 923 CG2 VAL 113 27.508 36.652 23.673 1.00 0.00 ATOM 924 O VAL 113 28.272 33.793 21.839 1.00 0.00 ATOM 925 C VAL 113 28.197 34.940 21.410 1.00 0.00 ATOM 926 N THR 114 27.318 35.280 20.469 1.00 0.00 ATOM 927 CA THR 114 26.311 34.306 20.017 1.00 0.00 ATOM 928 CB THR 114 25.328 34.934 19.011 1.00 0.00 ATOM 929 CG2 THR 114 24.329 33.896 18.524 1.00 0.00 ATOM 930 OG1 THR 114 24.615 36.005 19.642 1.00 0.00 ATOM 931 O THR 114 26.432 31.933 19.729 1.00 0.00 ATOM 932 C THR 114 26.818 33.038 19.334 1.00 0.00 ATOM 933 N GLU 115 27.716 33.167 18.338 1.00 0.00 ATOM 934 CA GLU 115 28.189 31.976 17.633 1.00 0.00 ATOM 935 CB GLU 115 29.141 32.365 16.500 1.00 0.00 ATOM 936 CG GLU 115 28.457 33.026 15.314 1.00 0.00 ATOM 937 CD GLU 115 29.444 33.507 14.267 1.00 0.00 ATOM 938 OE1 GLU 115 30.664 33.391 14.503 1.00 0.00 ATOM 939 OE2 GLU 115 28.995 34.001 13.211 1.00 0.00 ATOM 940 O GLU 115 28.705 29.832 18.544 1.00 0.00 ATOM 941 C GLU 115 28.941 31.036 18.557 1.00 0.00 ATOM 942 N ILE 116 29.827 31.567 19.382 1.00 0.00 ATOM 943 CA ILE 116 30.589 30.729 20.298 1.00 0.00 ATOM 944 CB ILE 116 31.646 31.547 21.063 1.00 0.00 ATOM 945 CG1 ILE 116 32.729 32.049 20.104 1.00 0.00 ATOM 946 CG2 ILE 116 32.309 30.694 22.133 1.00 0.00 ATOM 947 CD1 ILE 116 33.659 33.074 20.715 1.00 0.00 ATOM 948 O ILE 116 29.766 28.937 21.707 1.00 0.00 ATOM 949 C ILE 116 29.626 30.110 21.339 1.00 0.00 ATOM 950 N ALA 117 28.642 30.901 21.848 1.00 0.00 ATOM 951 CA ALA 117 27.663 30.376 22.827 1.00 0.00 ATOM 952 CB ALA 117 26.637 31.449 23.162 1.00 0.00 ATOM 953 O ALA 117 26.673 28.182 22.928 1.00 0.00 ATOM 954 C ALA 117 26.914 29.177 22.240 1.00 0.00 ATOM 955 N LEU 118 26.556 29.286 20.966 1.00 0.00 ATOM 956 CA LEU 118 25.833 28.218 20.283 1.00 0.00 ATOM 957 CB LEU 118 25.454 28.646 18.865 1.00 0.00 ATOM 958 CG LEU 118 24.689 27.617 18.029 1.00 0.00 ATOM 959 CD1 LEU 118 23.360 27.272 18.684 1.00 0.00 ATOM 960 CD2 LEU 118 24.405 28.162 16.635 1.00 0.00 ATOM 961 O LEU 118 26.149 25.843 20.306 1.00 0.00 ATOM 962 C LEU 118 26.672 26.948 20.179 1.00 0.00 ATOM 963 N ASP 119 27.971 27.105 19.951 1.00 0.00 ATOM 964 CA ASP 119 28.849 25.948 19.835 1.00 0.00 ATOM 965 CB ASP 119 30.171 26.346 19.174 1.00 0.00 ATOM 966 CG ASP 119 30.015 26.651 17.698 1.00 0.00 ATOM 967 OD1 ASP 119 28.958 26.307 17.128 1.00 0.00 ATOM 968 OD2 ASP 119 30.951 27.233 17.111 1.00 0.00 ATOM 969 O ASP 119 29.568 24.142 21.243 1.00 0.00 ATOM 970 C ASP 119 29.196 25.317 21.181 1.00 0.00 ATOM 971 N LEU 120 29.060 26.104 22.263 1.00 0.00 ATOM 972 CA LEU 120 29.398 25.566 23.579 1.00 0.00 ATOM 973 CB LEU 120 29.323 26.664 24.643 1.00 0.00 ATOM 974 CG LEU 120 29.712 26.256 26.066 1.00 0.00 ATOM 975 CD1 LEU 120 31.184 25.878 26.133 1.00 0.00 ATOM 976 CD2 LEU 120 29.471 27.401 27.037 1.00 0.00 ATOM 977 O LEU 120 27.230 24.665 24.142 1.00 0.00 ATOM 978 C LEU 120 28.450 24.465 23.983 1.00 0.00 ATOM 979 N PRO 121 28.977 23.274 24.288 1.00 0.00 ATOM 980 CA PRO 121 28.119 22.098 24.472 1.00 0.00 ATOM 981 CB PRO 121 29.105 20.931 24.564 1.00 0.00 ATOM 982 CG PRO 121 30.374 21.551 25.039 1.00 0.00 ATOM 983 CD PRO 121 30.427 22.921 24.424 1.00 0.00 ATOM 984 O PRO 121 26.213 21.467 25.788 1.00 0.00 ATOM 985 C PRO 121 27.244 22.138 25.723 1.00 0.00 ATOM 986 N GLY 122 27.648 22.966 26.700 1.00 0.00 ATOM 987 CA GLY 122 26.926 23.040 27.957 1.00 0.00 ATOM 988 O GLY 122 24.697 23.466 28.741 1.00 0.00 ATOM 989 C GLY 122 25.525 23.615 27.838 1.00 0.00 ATOM 990 N ILE 123 25.250 24.280 26.724 1.00 0.00 ATOM 991 CA ILE 123 23.936 24.868 26.515 1.00 0.00 ATOM 992 CB ILE 123 24.024 26.169 25.696 1.00 0.00 ATOM 993 CG1 ILE 123 24.534 25.875 24.283 1.00 0.00 ATOM 994 CG2 ILE 123 24.976 27.152 26.359 1.00 0.00 ATOM 995 CD1 ILE 123 24.453 27.061 23.348 1.00 0.00 ATOM 996 O ILE 123 21.898 24.241 25.419 1.00 0.00 ATOM 997 C ILE 123 23.029 23.903 25.763 1.00 0.00 ATOM 998 N ASN 124 23.560 22.689 25.512 1.00 0.00 ATOM 999 CA ASN 124 22.814 21.645 24.802 1.00 0.00 ATOM 1000 CB ASN 124 21.385 21.550 25.341 1.00 0.00 ATOM 1001 CG ASN 124 21.338 21.149 26.802 1.00 0.00 ATOM 1002 ND2 ASN 124 20.705 21.979 27.622 1.00 0.00 ATOM 1003 OD1 ASN 124 21.867 20.105 27.187 1.00 0.00 ATOM 1004 O ASN 124 21.712 21.447 22.686 1.00 0.00 ATOM 1005 C ASN 124 22.692 21.865 23.301 1.00 0.00 ATOM 1006 N LEU 125 23.813 22.541 22.691 1.00 0.00 ATOM 1007 CA LEU 125 23.722 22.819 21.271 1.00 0.00 ATOM 1008 CB LEU 125 23.441 24.343 21.037 1.00 0.00 ATOM 1009 CG LEU 125 22.423 24.975 21.966 1.00 0.00 ATOM 1010 CD1 LEU 125 22.282 26.442 21.622 1.00 0.00 ATOM 1011 CD2 LEU 125 21.065 24.321 21.912 1.00 0.00 ATOM 1012 O LEU 125 25.979 22.922 20.450 1.00 0.00 ATOM 1013 C LEU 125 24.966 22.238 20.622 1.00 0.00 ATOM 1014 N GLU 126 24.871 20.932 20.270 1.00 0.00 ATOM 1015 CA GLU 126 26.013 20.242 19.636 1.00 0.00 ATOM 1016 CB GLU 126 25.713 18.751 19.473 1.00 0.00 ATOM 1017 CG GLU 126 25.670 17.979 20.781 1.00 0.00 ATOM 1018 CD GLU 126 25.250 16.535 20.594 1.00 0.00 ATOM 1019 OE1 GLU 126 24.924 16.156 19.450 1.00 0.00 ATOM 1020 OE2 GLU 126 25.249 15.783 21.590 1.00 0.00 ATOM 1021 O GLU 126 27.486 20.995 17.874 1.00 0.00 ATOM 1022 C GLU 126 26.321 20.819 18.241 1.00 0.00 ATOM 1023 N PHE 127 25.284 21.165 17.479 1.00 0.00 ATOM 1024 CA PHE 127 25.466 21.811 16.193 1.00 0.00 ATOM 1025 CB PHE 127 25.779 20.774 15.111 1.00 0.00 ATOM 1026 CG PHE 127 26.203 21.375 13.801 1.00 0.00 ATOM 1027 CD1 PHE 127 27.453 21.949 13.659 1.00 0.00 ATOM 1028 CD2 PHE 127 25.350 21.366 12.711 1.00 0.00 ATOM 1029 CE1 PHE 127 27.843 22.501 12.453 1.00 0.00 ATOM 1030 CE2 PHE 127 25.738 21.918 11.506 1.00 0.00 ATOM 1031 CZ PHE 127 26.980 22.484 11.373 1.00 0.00 ATOM 1032 O PHE 127 23.197 22.475 16.557 1.00 0.00 ATOM 1033 C PHE 127 24.185 22.549 15.824 1.00 0.00 TER END