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 5 Sat Aug 5 21:25:05 2006 MODEL 5 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 30.420 53.769 29.118 1.00 0.00 ATOM 2 CA SER 1 30.316 52.989 27.838 1.00 0.00 ATOM 3 CB SER 1 31.112 53.676 26.727 1.00 0.00 ATOM 4 OG SER 1 32.501 53.656 27.006 1.00 0.00 ATOM 5 O SER 1 30.111 50.623 27.500 1.00 0.00 ATOM 6 C SER 1 30.720 51.535 28.048 1.00 0.00 ATOM 7 N ASN 2 31.715 51.311 28.844 1.00 0.00 ATOM 8 CA ASN 2 32.229 49.974 29.140 1.00 0.00 ATOM 9 CB ASN 2 33.777 49.981 28.988 1.00 0.00 ATOM 10 CG ASN 2 34.445 50.780 30.087 1.00 0.00 ATOM 11 ND2 ASN 2 35.661 51.238 29.819 1.00 0.00 ATOM 12 OD1 ASN 2 33.876 50.990 31.162 1.00 0.00 ATOM 13 O ASN 2 31.068 49.962 31.234 1.00 0.00 ATOM 14 C ASN 2 31.673 49.304 30.391 1.00 0.00 ATOM 15 N ALA 3 31.915 47.982 30.533 1.00 0.00 ATOM 16 CA ALA 3 31.418 47.243 31.693 1.00 0.00 ATOM 17 CB ALA 3 31.626 45.745 31.487 1.00 0.00 ATOM 18 O ALA 3 31.469 47.814 34.026 1.00 0.00 ATOM 19 C ALA 3 32.106 47.701 32.976 1.00 0.00 ATOM 20 N MET 4 33.403 47.980 32.889 1.00 0.00 ATOM 21 CA MET 4 34.145 48.428 34.063 1.00 0.00 ATOM 22 CB MET 4 35.647 48.533 33.730 1.00 0.00 ATOM 23 CG MET 4 36.195 49.934 33.536 1.00 0.00 ATOM 24 SD MET 4 37.944 49.906 33.026 1.00 0.00 ATOM 25 CE MET 4 38.431 51.646 33.418 1.00 0.00 ATOM 26 O MET 4 33.556 49.978 35.804 1.00 0.00 ATOM 27 C MET 4 33.623 49.770 34.591 1.00 0.00 ATOM 28 N ASN 5 33.227 50.667 33.685 1.00 0.00 ATOM 29 CA ASN 5 32.730 51.972 34.117 1.00 0.00 ATOM 30 CB ASN 5 32.614 52.942 32.937 1.00 0.00 ATOM 31 CG ASN 5 33.973 53.410 32.420 1.00 0.00 ATOM 32 ND2 ASN 5 33.969 54.072 31.269 1.00 0.00 ATOM 33 OD1 ASN 5 35.012 53.182 33.053 1.00 0.00 ATOM 34 O ASN 5 31.247 52.459 35.926 1.00 0.00 ATOM 35 C ASN 5 31.413 51.844 34.878 1.00 0.00 ATOM 36 N LEU 6 30.494 51.016 34.338 1.00 0.00 ATOM 37 CA LEU 6 29.200 50.838 34.969 1.00 0.00 ATOM 38 CB LEU 6 28.210 50.193 33.997 1.00 0.00 ATOM 39 CG LEU 6 26.789 49.978 34.519 1.00 0.00 ATOM 40 CD1 LEU 6 26.107 51.312 34.788 1.00 0.00 ATOM 41 CD2 LEU 6 25.952 49.213 33.504 1.00 0.00 ATOM 42 O LEU 6 30.127 48.983 36.164 1.00 0.00 ATOM 43 C LEU 6 29.365 49.951 36.190 1.00 0.00 ATOM 44 N LYS 7 28.712 50.326 37.283 1.00 0.00 ATOM 45 CA LYS 7 28.792 49.545 38.507 1.00 0.00 ATOM 46 CB LYS 7 28.816 50.544 39.755 1.00 0.00 ATOM 47 CG LYS 7 29.870 51.592 39.667 1.00 0.00 ATOM 48 CD LYS 7 29.858 52.514 40.906 1.00 0.00 ATOM 49 CE LYS 7 30.822 53.699 40.722 1.00 0.00 ATOM 50 NZ LYS 7 32.114 53.629 41.490 1.00 0.00 ATOM 51 O LYS 7 26.570 48.678 38.447 1.00 0.00 ATOM 52 C LYS 7 27.784 48.413 38.465 1.00 0.00 ATOM 53 N ARG 8 28.245 47.168 38.384 1.00 0.00 ATOM 54 CA ARG 8 27.355 46.004 38.391 1.00 0.00 ATOM 55 CB ARG 8 28.136 44.815 37.829 1.00 0.00 ATOM 56 CG ARG 8 27.330 43.528 37.741 1.00 0.00 ATOM 57 CD ARG 8 28.106 42.439 37.018 1.00 0.00 ATOM 58 NE ARG 8 29.357 42.115 37.699 1.00 0.00 ATOM 59 CZ ARG 8 29.456 41.262 38.714 1.00 0.00 ATOM 60 NH1 ARG 8 30.636 41.029 39.270 1.00 0.00 ATOM 61 NH2 ARG 8 28.375 40.645 39.168 1.00 0.00 ATOM 62 O ARG 8 27.695 45.333 40.678 1.00 0.00 ATOM 63 C ARG 8 26.897 45.707 39.817 1.00 0.00 ATOM 64 N GLU 9 25.607 45.886 40.068 1.00 0.00 ATOM 65 CA GLU 9 25.061 45.665 41.392 1.00 0.00 ATOM 66 CB GLU 9 23.923 46.648 41.673 1.00 0.00 ATOM 67 CG GLU 9 24.363 48.102 41.753 1.00 0.00 ATOM 68 CD GLU 9 25.356 48.349 42.872 1.00 0.00 ATOM 69 OE1 GLU 9 25.038 48.012 44.032 1.00 0.00 ATOM 70 OE2 GLU 9 26.450 48.880 42.589 1.00 0.00 ATOM 71 O GLU 9 24.910 43.645 42.614 1.00 0.00 ATOM 72 C GLU 9 24.612 44.229 41.574 1.00 0.00 ATOM 73 N GLN 10 24.143 43.572 40.549 1.00 0.00 ATOM 74 CA GLN 10 23.663 42.196 40.560 1.00 0.00 ATOM 75 CB GLN 10 22.300 42.235 41.255 1.00 0.00 ATOM 76 CG GLN 10 21.783 40.872 41.684 1.00 0.00 ATOM 77 CD GLN 10 20.455 40.956 42.411 1.00 0.00 ATOM 78 OE1 GLN 10 19.932 42.046 42.645 1.00 0.00 ATOM 79 NE2 GLN 10 19.905 39.803 42.770 1.00 0.00 ATOM 80 O GLN 10 23.074 42.228 38.227 1.00 0.00 ATOM 81 C GLN 10 23.460 41.558 39.192 1.00 0.00 ATOM 82 N GLU 11 23.693 40.256 39.122 1.00 0.00 ATOM 83 CA GLU 11 23.518 39.515 37.877 1.00 0.00 ATOM 84 CB GLU 11 24.876 39.059 37.338 1.00 0.00 ATOM 85 CG GLU 11 24.796 38.302 36.021 1.00 0.00 ATOM 86 CD GLU 11 26.164 37.955 35.467 1.00 0.00 ATOM 87 OE1 GLU 11 27.173 38.262 36.137 1.00 0.00 ATOM 88 OE2 GLU 11 26.227 37.377 34.362 1.00 0.00 ATOM 89 O GLU 11 22.913 37.641 39.211 1.00 0.00 ATOM 90 C GLU 11 22.644 38.325 38.235 1.00 0.00 ATOM 91 N PHE 12 21.566 38.104 37.487 1.00 0.00 ATOM 92 CA PHE 12 20.647 37.024 37.833 1.00 0.00 ATOM 93 CB PHE 12 19.715 37.458 38.967 1.00 0.00 ATOM 94 CG PHE 12 18.832 38.621 38.615 1.00 0.00 ATOM 95 CD1 PHE 12 17.562 38.415 38.107 1.00 0.00 ATOM 96 CD2 PHE 12 19.272 39.921 38.794 1.00 0.00 ATOM 97 CE1 PHE 12 16.751 39.486 37.783 1.00 0.00 ATOM 98 CE2 PHE 12 18.460 40.990 38.471 1.00 0.00 ATOM 99 CZ PHE 12 17.204 40.777 37.968 1.00 0.00 ATOM 100 O PHE 12 20.083 37.042 35.501 1.00 0.00 ATOM 101 C PHE 12 19.947 36.495 36.590 1.00 0.00 ATOM 102 N VAL 13 19.146 35.459 36.770 1.00 0.00 ATOM 103 CA VAL 13 18.428 34.924 35.649 1.00 0.00 ATOM 104 CB VAL 13 18.689 33.447 35.304 1.00 0.00 ATOM 105 CG1 VAL 13 17.743 32.979 34.210 1.00 0.00 ATOM 106 CG2 VAL 13 20.118 33.258 34.816 1.00 0.00 ATOM 107 O VAL 13 16.544 34.454 37.052 1.00 0.00 ATOM 108 C VAL 13 16.976 35.078 36.088 1.00 0.00 ATOM 109 N SER 14 16.258 35.931 35.391 1.00 0.00 ATOM 110 CA SER 14 14.862 36.165 35.738 1.00 0.00 ATOM 111 CB SER 14 14.355 37.428 35.040 1.00 0.00 ATOM 112 OG SER 14 14.350 37.265 33.632 1.00 0.00 ATOM 113 O SER 14 12.986 34.734 35.980 1.00 0.00 ATOM 114 C SER 14 13.987 35.013 35.327 1.00 0.00 ATOM 115 N GLN 15 14.409 34.281 34.302 1.00 0.00 ATOM 116 CA GLN 15 13.586 33.195 33.794 1.00 0.00 ATOM 117 CB GLN 15 12.500 33.750 32.870 1.00 0.00 ATOM 118 CG GLN 15 11.557 32.693 32.316 1.00 0.00 ATOM 119 CD GLN 15 10.443 33.289 31.476 1.00 0.00 ATOM 120 OE1 GLN 15 10.425 34.492 31.216 1.00 0.00 ATOM 121 NE2 GLN 15 9.511 32.446 31.050 1.00 0.00 ATOM 122 O GLN 15 15.400 32.625 32.318 1.00 0.00 ATOM 123 C GLN 15 14.455 32.227 33.012 1.00 0.00 ATOM 124 N TYR 16 14.119 30.954 33.105 1.00 0.00 ATOM 125 CA TYR 16 14.883 29.923 32.429 1.00 0.00 ATOM 126 CB TYR 16 15.919 29.315 33.376 1.00 0.00 ATOM 127 CG TYR 16 16.753 28.219 32.750 1.00 0.00 ATOM 128 CD1 TYR 16 17.775 28.522 31.858 1.00 0.00 ATOM 129 CD2 TYR 16 16.514 26.884 33.051 1.00 0.00 ATOM 130 CE1 TYR 16 18.540 27.528 31.281 1.00 0.00 ATOM 131 CE2 TYR 16 17.270 25.876 32.485 1.00 0.00 ATOM 132 CZ TYR 16 18.289 26.208 31.594 1.00 0.00 ATOM 133 OH TYR 16 19.050 25.215 31.021 1.00 0.00 ATOM 134 O TYR 16 13.142 28.337 32.757 1.00 0.00 ATOM 135 C TYR 16 13.947 28.837 31.970 1.00 0.00 ATOM 136 N HIS 17 14.080 28.437 30.716 1.00 0.00 ATOM 137 CA HIS 17 13.224 27.396 30.204 1.00 0.00 ATOM 138 CB HIS 17 12.041 28.011 29.454 1.00 0.00 ATOM 139 CG HIS 17 11.093 26.999 28.885 1.00 0.00 ATOM 140 CD2 HIS 17 10.807 26.476 27.558 1.00 0.00 ATOM 141 ND1 HIS 17 10.203 26.295 29.665 1.00 0.00 ATOM 142 CE1 HIS 17 9.492 25.468 28.877 1.00 0.00 ATOM 143 NE2 HIS 17 9.850 25.571 27.612 1.00 0.00 ATOM 144 O HIS 17 14.667 26.959 28.326 1.00 0.00 ATOM 145 C HIS 17 13.977 26.490 29.243 1.00 0.00 ATOM 146 N PHE 18 13.874 25.192 29.487 1.00 0.00 ATOM 147 CA PHE 18 14.502 24.192 28.632 1.00 0.00 ATOM 148 CB PHE 18 15.748 23.901 28.555 1.00 0.00 ATOM 149 CG PHE 18 16.086 22.478 28.233 1.00 0.00 ATOM 150 CD1 PHE 18 15.829 21.962 26.988 1.00 0.00 ATOM 151 CD2 PHE 18 16.720 21.683 29.163 1.00 0.00 ATOM 152 CE1 PHE 18 16.179 20.659 26.679 1.00 0.00 ATOM 153 CE2 PHE 18 17.075 20.395 28.859 1.00 0.00 ATOM 154 CZ PHE 18 16.802 19.884 27.612 1.00 0.00 ATOM 155 O PHE 18 12.784 22.638 29.269 1.00 0.00 ATOM 156 C PHE 18 13.451 23.113 28.352 1.00 0.00 ATOM 157 N ASP 19 13.295 22.725 27.096 1.00 0.00 ATOM 158 CA ASP 19 12.316 21.700 26.769 1.00 0.00 ATOM 159 CB ASP 19 11.037 22.336 26.223 1.00 0.00 ATOM 160 CG ASP 19 9.937 21.318 25.981 1.00 0.00 ATOM 161 OD1 ASP 19 10.207 20.108 26.130 1.00 0.00 ATOM 162 OD2 ASP 19 8.810 21.732 25.643 1.00 0.00 ATOM 163 O ASP 19 13.361 21.191 24.692 1.00 0.00 ATOM 164 C ASP 19 12.841 20.751 25.717 1.00 0.00 ATOM 165 N ALA 20 12.730 19.454 25.996 1.00 0.00 ATOM 166 CA ALA 20 13.138 18.398 25.070 1.00 0.00 ATOM 167 CB ALA 20 14.296 17.606 25.660 1.00 0.00 ATOM 168 O ALA 20 11.491 16.885 25.926 1.00 0.00 ATOM 169 C ALA 20 11.810 17.659 25.026 1.00 0.00 ATOM 170 N ARG 21 10.979 17.825 23.890 1.00 0.00 ATOM 171 CA ARG 21 9.683 17.179 23.724 1.00 0.00 ATOM 172 CB ARG 21 9.253 17.651 22.119 1.00 0.00 ATOM 173 CG ARG 21 10.066 18.774 21.523 1.00 0.00 ATOM 174 CD ARG 21 9.447 20.120 21.810 1.00 0.00 ATOM 175 NE ARG 21 10.191 21.183 21.137 1.00 0.00 ATOM 176 CZ ARG 21 9.825 22.456 21.114 1.00 0.00 ATOM 177 NH1 ARG 21 10.570 23.352 20.482 1.00 0.00 ATOM 178 NH2 ARG 21 8.711 22.834 21.723 1.00 0.00 ATOM 179 O ARG 21 9.248 14.843 24.102 1.00 0.00 ATOM 180 C ARG 21 9.828 15.687 23.416 1.00 0.00 ATOM 181 N ASN 22 10.579 15.359 22.385 1.00 0.00 ATOM 182 CA ASN 22 10.803 13.986 21.953 1.00 0.00 ATOM 183 CB ASN 22 10.399 13.748 20.503 1.00 0.00 ATOM 184 CG ASN 22 10.608 12.323 20.048 1.00 0.00 ATOM 185 ND2 ASN 22 9.866 11.836 19.067 1.00 0.00 ATOM 186 OD1 ASN 22 11.450 11.588 20.587 1.00 0.00 ATOM 187 O ASN 22 13.190 14.154 21.529 1.00 0.00 ATOM 188 C ASN 22 12.280 13.679 22.209 1.00 0.00 ATOM 189 N PHE 23 12.486 12.860 23.236 1.00 0.00 ATOM 190 CA PHE 23 13.835 12.594 23.692 1.00 0.00 ATOM 191 CB PHE 23 13.708 11.769 25.023 1.00 0.00 ATOM 192 CG PHE 23 15.024 11.318 25.534 1.00 0.00 ATOM 193 CD1 PHE 23 15.879 12.207 26.150 1.00 0.00 ATOM 194 CD2 PHE 23 15.423 10.022 25.355 1.00 0.00 ATOM 195 CE1 PHE 23 17.140 11.802 26.573 1.00 0.00 ATOM 196 CE2 PHE 23 16.669 9.603 25.768 1.00 0.00 ATOM 197 CZ PHE 23 17.528 10.484 26.376 1.00 0.00 ATOM 198 O PHE 23 15.897 12.197 22.601 1.00 0.00 ATOM 199 C PHE 23 14.697 11.910 22.636 1.00 0.00 ATOM 200 N GLU 24 14.059 11.089 21.817 1.00 0.00 ATOM 201 CA GLU 24 14.783 10.286 20.833 1.00 0.00 ATOM 202 CB GLU 24 13.859 9.238 20.212 1.00 0.00 ATOM 203 CG GLU 24 13.457 8.122 21.163 1.00 0.00 ATOM 204 CD GLU 24 12.471 7.154 20.541 1.00 0.00 ATOM 205 OE1 GLU 24 12.053 7.390 19.389 1.00 0.00 ATOM 206 OE2 GLU 24 12.114 6.159 21.207 1.00 0.00 ATOM 207 O GLU 24 16.336 10.796 19.079 1.00 0.00 ATOM 208 C GLU 24 15.326 11.144 19.699 1.00 0.00 ATOM 209 N TRP 25 14.655 12.276 19.446 1.00 0.00 ATOM 210 CA TRP 25 15.072 13.130 18.354 1.00 0.00 ATOM 211 CB TRP 25 14.115 14.315 18.201 1.00 0.00 ATOM 212 CG TRP 25 12.784 13.939 17.624 1.00 0.00 ATOM 213 CD1 TRP 25 12.414 12.717 17.143 1.00 0.00 ATOM 214 CD2 TRP 25 11.645 14.795 17.469 1.00 0.00 ATOM 215 CE2 TRP 25 10.620 14.022 16.886 1.00 0.00 ATOM 216 CE3 TRP 25 11.389 16.136 17.767 1.00 0.00 ATOM 217 NE1 TRP 25 11.115 12.756 16.697 1.00 0.00 ATOM 218 CZ2 TRP 25 9.363 14.547 16.595 1.00 0.00 ATOM 219 CZ3 TRP 25 10.142 16.653 17.474 1.00 0.00 ATOM 220 CH2 TRP 25 9.143 15.863 16.895 1.00 0.00 ATOM 221 O TRP 25 17.180 13.985 17.664 1.00 0.00 ATOM 222 C TRP 25 16.463 13.681 18.598 1.00 0.00 ATOM 223 N GLU 26 16.847 13.816 19.858 1.00 0.00 ATOM 224 CA GLU 26 18.169 14.332 20.185 1.00 0.00 ATOM 225 CB GLU 26 18.328 14.476 21.699 1.00 0.00 ATOM 226 CG GLU 26 17.492 15.590 22.308 1.00 0.00 ATOM 227 CD GLU 26 17.605 15.643 23.818 1.00 0.00 ATOM 228 OE1 GLU 26 18.288 14.772 24.394 1.00 0.00 ATOM 229 OE2 GLU 26 17.010 16.560 24.426 1.00 0.00 ATOM 230 O GLU 26 20.271 13.893 19.111 1.00 0.00 ATOM 231 C GLU 26 19.203 13.418 19.587 1.00 0.00 ATOM 232 N ASN 27 18.932 12.120 19.555 1.00 0.00 ATOM 233 CA ASN 27 19.902 11.123 19.083 1.00 0.00 ATOM 234 CB ASN 27 20.103 9.955 20.050 1.00 0.00 ATOM 235 CG ASN 27 20.733 10.387 21.361 1.00 0.00 ATOM 236 ND2 ASN 27 19.966 10.294 22.442 1.00 0.00 ATOM 237 OD1 ASN 27 21.892 10.797 21.399 1.00 0.00 ATOM 238 O ASN 27 20.320 9.443 17.441 1.00 0.00 ATOM 239 C ASN 27 19.649 10.431 17.749 1.00 0.00 ATOM 240 N GLU 28 18.728 10.951 16.930 1.00 0.00 ATOM 241 CA GLU 28 18.464 10.278 15.673 1.00 0.00 ATOM 242 CB GLU 28 17.668 10.973 14.718 1.00 0.00 ATOM 243 CG GLU 28 17.529 10.297 13.359 1.00 0.00 ATOM 244 CD GLU 28 16.649 11.094 12.411 1.00 0.00 ATOM 245 OE1 GLU 28 16.940 12.289 12.194 1.00 0.00 ATOM 246 OE2 GLU 28 15.668 10.533 11.880 1.00 0.00 ATOM 247 O GLU 28 20.261 9.221 14.499 1.00 0.00 ATOM 248 C GLU 28 19.758 10.283 14.872 1.00 0.00 ATOM 249 N ASN 29 20.446 11.369 14.767 1.00 0.00 ATOM 250 CA ASN 29 21.652 11.450 13.949 1.00 0.00 ATOM 251 CB ASN 29 21.512 11.020 12.488 1.00 0.00 ATOM 252 CG ASN 29 22.853 10.841 11.802 1.00 0.00 ATOM 253 ND2 ASN 29 22.870 11.013 10.486 1.00 0.00 ATOM 254 OD1 ASN 29 23.859 10.553 12.450 1.00 0.00 ATOM 255 O ASN 29 23.807 12.486 13.954 1.00 0.00 ATOM 256 C ASN 29 22.621 12.581 14.267 1.00 0.00 ATOM 257 N GLY 30 22.158 13.680 14.832 1.00 0.00 ATOM 258 CA GLY 30 23.036 14.784 15.170 1.00 0.00 ATOM 259 O GLY 30 24.303 16.487 14.036 1.00 0.00 ATOM 260 C GLY 30 23.227 15.862 14.102 1.00 0.00 ATOM 261 N ALA 31 22.249 16.121 13.332 1.00 0.00 ATOM 262 CA ALA 31 22.355 17.056 12.200 1.00 0.00 ATOM 263 CB ALA 31 21.880 16.358 10.935 1.00 0.00 ATOM 264 O ALA 31 20.529 18.561 11.744 1.00 0.00 ATOM 265 C ALA 31 21.463 18.249 12.518 1.00 0.00 ATOM 266 N PRO 32 21.646 19.008 13.589 1.00 0.00 ATOM 267 CA PRO 32 20.832 20.139 13.993 1.00 0.00 ATOM 268 CB PRO 32 21.049 20.167 15.517 1.00 0.00 ATOM 269 CG PRO 32 22.495 19.756 15.661 1.00 0.00 ATOM 270 CD PRO 32 22.719 18.732 14.575 1.00 0.00 ATOM 271 O PRO 32 22.417 21.593 12.933 1.00 0.00 ATOM 272 C PRO 32 21.271 21.462 13.362 1.00 0.00 ATOM 273 N GLU 33 20.042 22.114 13.326 1.00 0.00 ATOM 274 CA GLU 33 19.980 23.437 12.735 1.00 0.00 ATOM 275 CB GLU 33 19.052 23.416 11.510 1.00 0.00 ATOM 276 CG GLU 33 19.671 22.624 10.378 1.00 0.00 ATOM 277 CD GLU 33 18.889 22.688 9.074 1.00 0.00 ATOM 278 OE1 GLU 33 17.706 23.049 9.109 1.00 0.00 ATOM 279 OE2 GLU 33 19.488 22.379 8.023 1.00 0.00 ATOM 280 O GLU 33 18.714 24.072 14.649 1.00 0.00 ATOM 281 C GLU 33 19.749 24.253 13.993 1.00 0.00 ATOM 282 N THR 34 20.687 25.088 14.359 1.00 0.00 ATOM 283 CA THR 34 20.554 25.885 15.570 1.00 0.00 ATOM 284 CB THR 34 21.857 25.942 16.389 1.00 0.00 ATOM 285 CG2 THR 34 21.683 26.846 17.600 1.00 0.00 ATOM 286 OG1 THR 34 22.200 24.625 16.837 1.00 0.00 ATOM 287 O THR 34 20.977 28.017 14.605 1.00 0.00 ATOM 288 C THR 34 20.198 27.313 15.232 1.00 0.00 ATOM 289 N LYS 35 19.009 27.731 15.643 1.00 0.00 ATOM 290 CA LYS 35 18.563 29.101 15.413 1.00 0.00 ATOM 291 CB LYS 35 17.090 29.123 14.998 1.00 0.00 ATOM 292 CG LYS 35 16.818 28.475 13.651 1.00 0.00 ATOM 293 CD LYS 35 15.335 28.496 13.318 1.00 0.00 ATOM 294 CE LYS 35 15.055 27.804 11.993 1.00 0.00 ATOM 295 NZ LYS 35 13.601 27.785 11.673 1.00 0.00 ATOM 296 O LYS 35 18.445 29.427 17.805 1.00 0.00 ATOM 297 C LYS 35 18.743 29.907 16.715 1.00 0.00 ATOM 298 N VAL 36 19.228 31.131 16.582 1.00 0.00 ATOM 299 CA VAL 36 19.457 32.003 17.720 1.00 0.00 ATOM 300 CB VAL 36 20.941 32.400 17.844 1.00 0.00 ATOM 301 CG1 VAL 36 21.141 33.350 19.015 1.00 0.00 ATOM 302 CG2 VAL 36 21.803 31.169 18.072 1.00 0.00 ATOM 303 O VAL 36 18.794 34.033 16.632 1.00 0.00 ATOM 304 C VAL 36 18.693 33.338 17.645 1.00 0.00 ATOM 305 N ASP 37 17.942 33.656 18.670 1.00 0.00 ATOM 306 CA ASP 37 17.214 34.927 18.704 1.00 0.00 ATOM 307 CB ASP 37 15.715 34.626 18.751 1.00 0.00 ATOM 308 CG ASP 37 14.866 35.878 18.647 1.00 0.00 ATOM 309 OD1 ASP 37 15.441 36.986 18.642 1.00 0.00 ATOM 310 OD2 ASP 37 13.626 35.749 18.571 1.00 0.00 ATOM 311 O ASP 37 17.929 35.120 20.986 1.00 0.00 ATOM 312 C ASP 37 17.776 35.706 19.908 1.00 0.00 ATOM 313 N VAL 38 18.009 37.077 19.747 1.00 0.00 ATOM 314 CA VAL 38 18.580 37.963 20.758 1.00 0.00 ATOM 315 CB VAL 38 20.038 38.325 20.400 1.00 0.00 ATOM 316 CG1 VAL 38 20.119 38.990 19.028 1.00 0.00 ATOM 317 CG2 VAL 38 20.684 39.201 21.463 1.00 0.00 ATOM 318 O VAL 38 17.300 39.820 19.936 1.00 0.00 ATOM 319 C VAL 38 17.672 39.176 20.919 1.00 0.00 ATOM 320 N ASN 39 17.288 39.429 22.125 1.00 0.00 ATOM 321 CA ASN 39 16.432 40.576 22.409 1.00 0.00 ATOM 322 CB ASN 39 15.002 40.073 22.616 1.00 0.00 ATOM 323 CG ASN 39 14.449 39.372 21.390 1.00 0.00 ATOM 324 ND2 ASN 39 14.422 38.045 21.430 1.00 0.00 ATOM 325 OD1 ASN 39 14.051 40.018 20.421 1.00 0.00 ATOM 326 O ASN 39 17.413 40.630 24.597 1.00 0.00 ATOM 327 C ASN 39 16.925 41.270 23.665 1.00 0.00 ATOM 328 N PHE 40 16.813 42.593 23.660 1.00 0.00 ATOM 329 CA PHE 40 17.274 43.429 24.755 1.00 0.00 ATOM 330 CB PHE 40 18.496 44.244 24.328 1.00 0.00 ATOM 331 CG PHE 40 19.685 43.406 23.951 1.00 0.00 ATOM 332 CD1 PHE 40 19.896 43.032 22.636 1.00 0.00 ATOM 333 CD2 PHE 40 20.590 42.991 24.912 1.00 0.00 ATOM 334 CE1 PHE 40 20.987 42.260 22.289 1.00 0.00 ATOM 335 CE2 PHE 40 21.682 42.220 24.564 1.00 0.00 ATOM 336 CZ PHE 40 21.884 41.854 23.260 1.00 0.00 ATOM 337 O PHE 40 15.532 45.023 24.377 1.00 0.00 ATOM 338 C PHE 40 16.198 44.410 25.206 1.00 0.00 ATOM 339 N GLN 41 16.049 44.548 26.510 1.00 0.00 ATOM 340 CA GLN 41 15.162 45.573 27.075 1.00 0.00 ATOM 341 CB GLN 41 13.782 44.981 27.369 1.00 0.00 ATOM 342 CG GLN 41 12.770 45.992 27.881 1.00 0.00 ATOM 343 CD GLN 41 11.398 45.385 28.097 1.00 0.00 ATOM 344 OE1 GLN 41 11.199 44.188 27.890 1.00 0.00 ATOM 345 NE2 GLN 41 10.446 46.212 28.515 1.00 0.00 ATOM 346 O GLN 41 16.235 45.421 29.214 1.00 0.00 ATOM 347 C GLN 41 15.714 46.150 28.372 1.00 0.00 ATOM 348 N LEU 42 15.624 47.465 28.513 1.00 0.00 ATOM 349 CA LEU 42 16.092 48.116 29.710 1.00 0.00 ATOM 350 CB LEU 42 17.267 49.084 29.467 1.00 0.00 ATOM 351 CG LEU 42 18.527 48.540 28.832 1.00 0.00 ATOM 352 CD1 LEU 42 18.392 48.110 27.407 1.00 0.00 ATOM 353 CD2 LEU 42 19.638 49.620 28.925 1.00 0.00 ATOM 354 O LEU 42 14.168 49.548 29.726 1.00 0.00 ATOM 355 C LEU 42 15.001 48.931 30.390 1.00 0.00 ATOM 356 N LEU 43 15.060 49.005 31.714 1.00 0.00 ATOM 357 CA LEU 43 14.086 49.759 32.491 1.00 0.00 ATOM 358 CB LEU 43 13.202 48.623 33.013 1.00 0.00 ATOM 359 CG LEU 43 12.026 49.034 33.900 1.00 0.00 ATOM 360 CD1 LEU 43 10.986 49.800 33.097 1.00 0.00 ATOM 361 CD2 LEU 43 11.353 47.809 34.502 1.00 0.00 ATOM 362 O LEU 43 15.466 49.832 34.461 1.00 0.00 ATOM 363 C LEU 43 14.663 50.448 33.745 1.00 0.00 ATOM 364 N GLN 44 14.191 51.625 33.974 1.00 0.00 ATOM 365 CA GLN 44 14.563 52.310 35.244 1.00 0.00 ATOM 366 CB GLN 44 14.393 53.821 35.086 1.00 0.00 ATOM 367 CG GLN 44 14.955 54.634 36.242 1.00 0.00 ATOM 368 CD GLN 44 14.818 56.127 36.024 1.00 0.00 ATOM 369 OE1 GLN 44 14.355 56.572 34.975 1.00 0.00 ATOM 370 NE2 GLN 44 15.225 56.908 37.019 1.00 0.00 ATOM 371 O GLN 44 12.528 51.812 36.412 1.00 0.00 ATOM 372 C GLN 44 13.763 51.816 36.440 1.00 0.00 ATOM 373 N HIS 45 14.466 51.383 37.480 1.00 0.00 ATOM 374 CA HIS 45 13.811 50.866 38.673 1.00 0.00 ATOM 375 CB HIS 45 14.492 49.565 39.106 1.00 0.00 ATOM 376 CG HIS 45 14.176 48.399 38.239 1.00 0.00 ATOM 377 CD2 HIS 45 14.773 47.945 37.114 1.00 0.00 ATOM 378 ND1 HIS 45 13.103 47.572 38.478 1.00 0.00 ATOM 379 CE1 HIS 45 13.046 46.655 37.526 1.00 0.00 ATOM 380 NE2 HIS 45 14.044 46.867 36.686 1.00 0.00 ATOM 381 O HIS 45 12.972 51.848 40.679 1.00 0.00 ATOM 382 C HIS 45 13.785 51.917 39.759 1.00 0.00 ATOM 383 N ASP 46 14.706 52.867 39.653 1.00 0.00 ATOM 384 CA ASP 46 14.829 53.952 40.613 1.00 0.00 ATOM 385 CB ASP 46 15.354 53.427 41.950 1.00 0.00 ATOM 386 CG ASP 46 15.007 54.338 43.111 1.00 0.00 ATOM 387 OD1 ASP 46 14.388 55.396 42.871 1.00 0.00 ATOM 388 OD2 ASP 46 15.352 53.994 44.262 1.00 0.00 ATOM 389 O ASP 46 16.470 54.623 39.042 1.00 0.00 ATOM 390 C ASP 46 15.817 54.929 40.031 1.00 0.00 ATOM 391 N GLN 47 15.955 56.100 40.631 1.00 0.00 ATOM 392 CA GLN 47 16.900 57.090 40.134 1.00 0.00 ATOM 393 CB GLN 47 16.325 58.497 40.307 1.00 0.00 ATOM 394 CG GLN 47 15.048 58.746 39.522 1.00 0.00 ATOM 395 CD GLN 47 14.493 60.140 39.738 1.00 0.00 ATOM 396 OE1 GLN 47 15.073 60.943 40.468 1.00 0.00 ATOM 397 NE2 GLN 47 13.363 60.431 39.102 1.00 0.00 ATOM 398 O GLN 47 19.277 57.260 40.418 1.00 0.00 ATOM 399 C GLN 47 18.200 56.948 40.927 1.00 0.00 ATOM 400 N GLU 48 18.096 56.526 42.143 1.00 0.00 ATOM 401 CA GLU 48 19.280 56.392 42.988 1.00 0.00 ATOM 402 CB GLU 48 18.874 56.141 44.440 1.00 0.00 ATOM 403 CG GLU 48 18.228 57.338 45.120 1.00 0.00 ATOM 404 CD GLU 48 17.774 57.032 46.533 1.00 0.00 ATOM 405 OE1 GLU 48 17.928 55.872 46.968 1.00 0.00 ATOM 406 OE2 GLU 48 17.265 57.952 47.207 1.00 0.00 ATOM 407 O GLU 48 21.427 55.351 42.622 1.00 0.00 ATOM 408 C GLU 48 20.196 55.293 42.477 1.00 0.00 ATOM 409 N ASN 49 19.691 54.188 41.861 1.00 0.00 ATOM 410 CA ASN 49 20.574 53.055 41.551 1.00 0.00 ATOM 411 CB ASN 49 19.928 51.752 42.025 1.00 0.00 ATOM 412 CG ASN 49 19.795 51.684 43.535 1.00 0.00 ATOM 413 ND2 ASN 49 18.562 51.747 44.023 1.00 0.00 ATOM 414 OD1 ASN 49 20.791 51.574 44.249 1.00 0.00 ATOM 415 O ASN 49 21.431 51.867 39.622 1.00 0.00 ATOM 416 C ASN 49 20.800 52.832 40.090 1.00 0.00 ATOM 417 N GLN 50 20.203 53.579 39.209 1.00 0.00 ATOM 418 CA GLN 50 20.296 53.514 37.786 1.00 0.00 ATOM 419 CB GLN 50 21.677 52.984 37.393 1.00 0.00 ATOM 420 CG GLN 50 22.830 53.873 37.829 1.00 0.00 ATOM 421 CD GLN 50 22.792 55.240 37.175 1.00 0.00 ATOM 422 OE1 GLN 50 22.582 55.354 35.968 1.00 0.00 ATOM 423 NE2 GLN 50 22.995 56.282 37.973 1.00 0.00 ATOM 424 O GLN 50 18.626 53.343 36.116 1.00 0.00 ATOM 425 C GLN 50 19.470 52.732 36.780 1.00 0.00 ATOM 426 N VAL 51 19.571 51.362 36.563 1.00 0.00 ATOM 427 CA VAL 51 18.793 50.535 35.637 1.00 0.00 ATOM 428 CB VAL 51 19.121 50.982 34.166 1.00 0.00 ATOM 429 CG1 VAL 51 18.504 50.018 33.174 1.00 0.00 ATOM 430 CG2 VAL 51 18.680 52.402 33.884 1.00 0.00 ATOM 431 O VAL 51 19.938 48.448 35.877 1.00 0.00 ATOM 432 C VAL 51 18.912 49.025 35.543 1.00 0.00 ATOM 433 N THR 52 17.842 48.393 35.090 1.00 0.00 ATOM 434 CA THR 52 17.858 46.961 34.883 1.00 0.00 ATOM 435 CB THR 52 16.564 46.313 35.411 1.00 0.00 ATOM 436 CG2 THR 52 16.598 44.808 35.200 1.00 0.00 ATOM 437 OG1 THR 52 16.429 46.583 36.812 1.00 0.00 ATOM 438 O THR 52 17.225 47.314 32.596 1.00 0.00 ATOM 439 C THR 52 17.924 46.675 33.387 1.00 0.00 ATOM 440 N SER 53 18.838 45.784 32.978 1.00 0.00 ATOM 441 CA SER 53 18.968 45.385 31.582 1.00 0.00 ATOM 442 CB SER 53 20.378 45.717 31.091 1.00 0.00 ATOM 443 OG SER 53 20.537 45.373 29.724 1.00 0.00 ATOM 444 O SER 53 19.240 43.135 32.344 1.00 0.00 ATOM 445 C SER 53 18.702 43.903 31.531 1.00 0.00 ATOM 446 N LEU 54 17.847 43.509 30.599 1.00 0.00 ATOM 447 CA LEU 54 17.497 42.114 30.455 1.00 0.00 ATOM 448 CB LEU 54 15.994 41.916 30.656 1.00 0.00 ATOM 449 CG LEU 54 15.466 40.493 30.468 1.00 0.00 ATOM 450 CD1 LEU 54 16.010 39.571 31.550 1.00 0.00 ATOM 451 CD2 LEU 54 13.947 40.468 30.543 1.00 0.00 ATOM 452 O LEU 54 17.455 42.294 28.061 1.00 0.00 ATOM 453 C LEU 54 17.848 41.664 29.043 1.00 0.00 ATOM 454 N ILE 55 18.573 40.576 28.974 1.00 0.00 ATOM 455 CA ILE 55 18.959 39.992 27.698 1.00 0.00 ATOM 456 CB ILE 55 20.480 39.770 27.611 1.00 0.00 ATOM 457 CG1 ILE 55 21.224 41.092 27.810 1.00 0.00 ATOM 458 CG2 ILE 55 20.860 39.203 26.250 1.00 0.00 ATOM 459 CD1 ILE 55 22.722 40.934 27.952 1.00 0.00 ATOM 460 O ILE 55 18.345 37.788 28.415 1.00 0.00 ATOM 461 C ILE 55 18.234 38.678 27.558 1.00 0.00 ATOM 462 N VAL 56 17.456 38.548 26.497 1.00 0.00 ATOM 463 CA VAL 56 16.762 37.288 26.306 1.00 0.00 ATOM 464 CB VAL 56 15.277 37.517 25.969 1.00 0.00 ATOM 465 CG1 VAL 56 14.574 36.190 25.730 1.00 0.00 ATOM 466 CG2 VAL 56 14.575 38.234 27.111 1.00 0.00 ATOM 467 O VAL 56 17.620 37.132 24.083 1.00 0.00 ATOM 468 C VAL 56 17.449 36.572 25.159 1.00 0.00 ATOM 469 N ILE 57 17.848 35.338 25.404 1.00 0.00 ATOM 470 CA ILE 57 18.497 34.555 24.385 1.00 0.00 ATOM 471 CB ILE 57 19.906 34.115 24.822 1.00 0.00 ATOM 472 CG1 ILE 57 20.789 35.336 25.084 1.00 0.00 ATOM 473 CG2 ILE 57 20.561 33.272 23.738 1.00 0.00 ATOM 474 CD1 ILE 57 22.114 35.004 25.734 1.00 0.00 ATOM 475 O ILE 57 17.289 32.619 25.096 1.00 0.00 ATOM 476 C ILE 57 17.629 33.346 24.155 1.00 0.00 ATOM 477 N LEU 58 17.240 33.142 22.901 1.00 0.00 ATOM 478 CA LEU 58 16.397 31.997 22.555 1.00 0.00 ATOM 479 CB LEU 58 15.091 32.469 21.912 1.00 0.00 ATOM 480 CG LEU 58 14.199 33.367 22.770 1.00 0.00 ATOM 481 CD1 LEU 58 13.007 33.866 21.967 1.00 0.00 ATOM 482 CD2 LEU 58 13.672 32.605 23.979 1.00 0.00 ATOM 483 O LEU 58 17.686 31.614 20.574 1.00 0.00 ATOM 484 C LEU 58 17.161 31.130 21.579 1.00 0.00 ATOM 485 N SER 59 17.216 29.842 21.879 1.00 0.00 ATOM 486 CA SER 59 17.934 28.893 21.040 1.00 0.00 ATOM 487 CB SER 59 19.155 28.340 21.780 1.00 0.00 ATOM 488 OG SER 59 19.858 27.407 20.978 1.00 0.00 ATOM 489 O SER 59 16.363 27.167 21.538 1.00 0.00 ATOM 490 C SER 59 17.022 27.744 20.675 1.00 0.00 ATOM 491 N PHE 60 16.986 27.431 19.383 1.00 0.00 ATOM 492 CA PHE 60 16.156 26.358 18.856 1.00 0.00 ATOM 493 CB PHE 60 15.058 26.925 17.953 1.00 0.00 ATOM 494 CG PHE 60 14.117 27.860 18.658 1.00 0.00 ATOM 495 CD1 PHE 60 14.346 29.225 18.658 1.00 0.00 ATOM 496 CD2 PHE 60 13.003 27.375 19.319 1.00 0.00 ATOM 497 CE1 PHE 60 13.481 30.086 19.306 1.00 0.00 ATOM 498 CE2 PHE 60 12.136 28.236 19.967 1.00 0.00 ATOM 499 CZ PHE 60 12.372 29.585 19.961 1.00 0.00 ATOM 500 O PHE 60 17.487 25.802 16.946 1.00 0.00 ATOM 501 C PHE 60 16.949 25.404 17.973 1.00 0.00 ATOM 502 N MET 61 17.019 24.144 18.365 1.00 0.00 ATOM 503 CA MET 61 17.748 23.167 17.580 1.00 0.00 ATOM 504 CB MET 61 18.745 22.487 18.519 1.00 0.00 ATOM 505 CG MET 61 19.754 23.437 19.147 1.00 0.00 ATOM 506 SD MET 61 20.907 22.597 20.250 1.00 0.00 ATOM 507 CE MET 61 21.843 21.618 19.079 1.00 0.00 ATOM 508 O MET 61 16.013 21.514 17.703 1.00 0.00 ATOM 509 C MET 61 16.817 22.131 16.990 1.00 0.00 ATOM 510 N ILE 62 16.927 21.933 15.681 1.00 0.00 ATOM 511 CA ILE 62 16.075 20.971 14.999 1.00 0.00 ATOM 512 CB ILE 62 15.080 21.673 14.057 1.00 0.00 ATOM 513 CG1 ILE 62 15.831 22.475 12.991 1.00 0.00 ATOM 514 CG2 ILE 62 14.188 22.625 14.836 1.00 0.00 ATOM 515 CD1 ILE 62 14.938 23.044 11.912 1.00 0.00 ATOM 516 O ILE 62 17.986 20.265 13.757 1.00 0.00 ATOM 517 C ILE 62 16.873 19.980 14.181 1.00 0.00 ATOM 518 N VAL 63 16.303 18.792 14.018 1.00 0.00 ATOM 519 CA VAL 63 16.903 17.722 13.236 1.00 0.00 ATOM 520 CB VAL 63 17.088 16.422 14.056 1.00 0.00 ATOM 521 CG1 VAL 63 17.989 15.444 13.306 1.00 0.00 ATOM 522 CG2 VAL 63 17.652 16.741 15.427 1.00 0.00 ATOM 523 O VAL 63 15.308 16.457 11.958 1.00 0.00 ATOM 524 C VAL 63 15.933 17.512 12.080 1.00 0.00 ATOM 525 N PHE 64 15.804 18.533 11.238 1.00 0.00 ATOM 526 CA PHE 64 14.890 18.456 10.119 1.00 0.00 ATOM 527 CB PHE 64 14.706 17.003 9.677 1.00 0.00 ATOM 528 CG PHE 64 15.948 16.382 9.102 1.00 0.00 ATOM 529 CD1 PHE 64 16.760 15.576 9.882 1.00 0.00 ATOM 530 CD2 PHE 64 16.305 16.606 7.784 1.00 0.00 ATOM 531 CE1 PHE 64 17.902 15.005 9.353 1.00 0.00 ATOM 532 CE2 PHE 64 17.448 16.034 7.256 1.00 0.00 ATOM 533 CZ PHE 64 18.246 15.238 8.035 1.00 0.00 ATOM 534 O PHE 64 13.397 20.237 10.647 1.00 0.00 ATOM 535 C PHE 64 13.529 19.019 10.513 1.00 0.00 ATOM 536 N ASP 65 12.560 18.354 10.756 1.00 0.00 ATOM 537 CA ASP 65 11.256 18.898 11.130 1.00 0.00 ATOM 538 CB ASP 65 10.158 18.324 10.232 1.00 0.00 ATOM 539 CG ASP 65 10.021 16.819 10.367 1.00 0.00 ATOM 540 OD1 ASP 65 10.788 16.223 11.151 1.00 0.00 ATOM 541 OD2 ASP 65 9.148 16.238 9.689 1.00 0.00 ATOM 542 O ASP 65 9.967 18.952 13.180 1.00 0.00 ATOM 543 C ASP 65 10.962 18.520 12.589 1.00 0.00 ATOM 544 N LYS 66 11.865 17.732 13.166 1.00 0.00 ATOM 545 CA LYS 66 11.747 17.268 14.544 1.00 0.00 ATOM 546 CB LYS 66 12.109 15.779 14.643 1.00 0.00 ATOM 547 CG LYS 66 11.085 14.909 13.925 1.00 0.00 ATOM 548 CD LYS 66 11.523 13.475 13.704 1.00 0.00 ATOM 549 CE LYS 66 10.568 12.777 12.740 1.00 0.00 ATOM 550 NZ LYS 66 10.856 11.326 12.617 1.00 0.00 ATOM 551 O LYS 66 13.841 18.058 15.355 1.00 0.00 ATOM 552 C LYS 66 12.615 18.103 15.473 1.00 0.00 ATOM 553 N PHE 67 11.953 18.868 16.436 1.00 0.00 ATOM 554 CA PHE 67 12.742 19.736 17.311 1.00 0.00 ATOM 555 CB PHE 67 11.788 20.655 18.076 1.00 0.00 ATOM 556 CG PHE 67 11.188 21.743 17.231 1.00 0.00 ATOM 557 CD1 PHE 67 9.905 21.622 16.729 1.00 0.00 ATOM 558 CD2 PHE 67 11.907 22.889 16.940 1.00 0.00 ATOM 559 CE1 PHE 67 9.352 22.623 15.953 1.00 0.00 ATOM 560 CE2 PHE 67 11.357 23.891 16.163 1.00 0.00 ATOM 561 CZ PHE 67 10.084 23.761 15.670 1.00 0.00 ATOM 562 O PHE 67 12.927 18.165 19.112 1.00 0.00 ATOM 563 C PHE 67 13.518 18.918 18.344 1.00 0.00 ATOM 564 N VAL 68 14.813 19.202 18.458 1.00 0.00 ATOM 565 CA VAL 68 15.692 18.517 19.405 1.00 0.00 ATOM 566 CB VAL 68 17.172 18.662 19.007 1.00 0.00 ATOM 567 CG1 VAL 68 18.072 18.054 20.072 1.00 0.00 ATOM 568 CG2 VAL 68 17.442 17.950 17.690 1.00 0.00 ATOM 569 O VAL 68 14.696 18.544 21.575 1.00 0.00 ATOM 570 C VAL 68 15.429 19.141 20.771 1.00 0.00 ATOM 571 N ILE 69 15.584 20.358 20.915 1.00 0.00 ATOM 572 CA ILE 69 15.369 21.107 22.151 1.00 0.00 ATOM 573 CB ILE 69 16.497 21.286 22.910 1.00 0.00 ATOM 574 CG1 ILE 69 17.928 21.197 22.380 1.00 0.00 ATOM 575 CG2 ILE 69 16.115 20.365 24.033 1.00 0.00 ATOM 576 CD1 ILE 69 19.015 21.384 23.456 1.00 0.00 ATOM 577 O ILE 69 15.647 23.161 20.976 1.00 0.00 ATOM 578 C ILE 69 15.194 22.591 21.964 1.00 0.00 ATOM 579 N SER 70 14.524 23.215 22.920 1.00 0.00 ATOM 580 CA SER 70 14.313 24.659 22.896 1.00 0.00 ATOM 581 CB SER 70 12.826 24.991 22.759 1.00 0.00 ATOM 582 OG SER 70 12.611 26.390 22.796 1.00 0.00 ATOM 583 O SER 70 14.609 24.617 25.278 1.00 0.00 ATOM 584 C SER 70 14.859 25.199 24.223 1.00 0.00 ATOM 585 N GLY 71 15.664 26.257 24.150 1.00 0.00 ATOM 586 CA GLY 71 16.261 26.877 25.332 1.00 0.00 ATOM 587 O GLY 71 16.294 29.111 24.405 1.00 0.00 ATOM 588 C GLY 71 16.009 28.379 25.361 1.00 0.00 ATOM 589 N THR 72 15.490 28.824 26.447 1.00 0.00 ATOM 590 CA THR 72 15.233 30.250 26.544 1.00 0.00 ATOM 591 CB THR 72 13.743 30.617 26.416 1.00 0.00 ATOM 592 CG2 THR 72 13.196 30.162 25.071 1.00 0.00 ATOM 593 OG1 THR 72 12.999 29.979 27.461 1.00 0.00 ATOM 594 O THR 72 15.560 29.932 28.880 1.00 0.00 ATOM 595 C THR 72 15.731 30.664 27.907 1.00 0.00 ATOM 596 N ILE 73 16.394 31.811 27.947 1.00 0.00 ATOM 597 CA ILE 73 16.972 32.342 29.162 1.00 0.00 ATOM 598 CB ILE 73 18.454 31.948 29.295 1.00 0.00 ATOM 599 CG1 ILE 73 19.024 32.457 30.621 1.00 0.00 ATOM 600 CG2 ILE 73 19.269 32.548 28.159 1.00 0.00 ATOM 601 CD1 ILE 73 20.377 31.876 30.968 1.00 0.00 ATOM 602 O ILE 73 17.057 34.485 28.125 1.00 0.00 ATOM 603 C ILE 73 16.849 33.843 29.160 1.00 0.00 ATOM 604 N SER 74 16.436 34.385 30.305 1.00 0.00 ATOM 605 CA SER 74 16.300 35.820 30.504 1.00 0.00 ATOM 606 CB SER 74 14.906 36.176 31.023 1.00 0.00 ATOM 607 OG SER 74 13.908 35.852 30.071 1.00 0.00 ATOM 608 O SER 74 17.222 35.833 32.720 1.00 0.00 ATOM 609 C SER 74 17.376 36.120 31.524 1.00 0.00 ATOM 610 N GLN 75 18.472 36.689 31.047 1.00 0.00 ATOM 611 CA GLN 75 19.578 37.021 31.922 1.00 0.00 ATOM 612 CB GLN 75 20.914 36.719 31.241 1.00 0.00 ATOM 613 CG GLN 75 22.131 36.981 32.115 1.00 0.00 ATOM 614 CD GLN 75 23.432 36.621 31.425 1.00 0.00 ATOM 615 OE1 GLN 75 23.431 36.066 30.327 1.00 0.00 ATOM 616 NE2 GLN 75 24.549 36.936 32.071 1.00 0.00 ATOM 617 O GLN 75 19.415 39.316 31.307 1.00 0.00 ATOM 618 C GLN 75 19.417 38.486 32.221 1.00 0.00 ATOM 619 N VAL 76 19.294 38.804 33.500 1.00 0.00 ATOM 620 CA VAL 76 19.113 40.180 33.892 1.00 0.00 ATOM 621 CB VAL 76 18.005 40.312 34.947 1.00 0.00 ATOM 622 CG1 VAL 76 17.907 41.766 35.423 1.00 0.00 ATOM 623 CG2 VAL 76 16.680 39.867 34.345 1.00 0.00 ATOM 624 O VAL 76 21.004 39.923 35.341 1.00 0.00 ATOM 625 C VAL 76 20.245 40.690 34.748 1.00 0.00 ATOM 626 N ASN 77 20.337 42.010 34.829 1.00 0.00 ATOM 627 CA ASN 77 21.361 42.624 35.638 1.00 0.00 ATOM 628 CB ASN 77 22.635 42.770 34.805 1.00 0.00 ATOM 629 CG ASN 77 23.819 43.240 35.628 1.00 0.00 ATOM 630 ND2 ASN 77 24.814 42.374 35.780 1.00 0.00 ATOM 631 OD1 ASN 77 23.837 44.368 36.120 1.00 0.00 ATOM 632 O ASN 77 20.188 44.692 35.415 1.00 0.00 ATOM 633 C ASN 77 20.914 43.991 36.113 1.00 0.00 ATOM 634 N HIS 78 21.324 44.348 37.324 1.00 0.00 ATOM 635 CA HIS 78 21.024 45.655 37.882 1.00 0.00 ATOM 636 CB HIS 78 20.526 45.533 39.323 1.00 0.00 ATOM 637 CG HIS 78 20.254 46.849 39.982 1.00 0.00 ATOM 638 CD2 HIS 78 20.858 47.613 41.064 1.00 0.00 ATOM 639 ND1 HIS 78 19.217 47.672 39.600 1.00 0.00 ATOM 640 CE1 HIS 78 19.226 48.774 40.372 1.00 0.00 ATOM 641 NE2 HIS 78 20.207 48.745 41.252 1.00 0.00 ATOM 642 O HIS 78 23.376 45.972 38.293 1.00 0.00 ATOM 643 C HIS 78 22.324 46.454 37.852 1.00 0.00 ATOM 644 N ILE 79 22.251 47.653 37.280 1.00 0.00 ATOM 645 CA ILE 79 23.409 48.530 37.144 1.00 0.00 ATOM 646 CB ILE 79 23.791 48.720 35.664 1.00 0.00 ATOM 647 CG1 ILE 79 22.628 49.340 34.887 1.00 0.00 ATOM 648 CG2 ILE 79 24.137 47.381 35.028 1.00 0.00 ATOM 649 CD1 ILE 79 22.972 49.704 33.460 1.00 0.00 ATOM 650 O ILE 79 22.134 50.497 37.653 1.00 0.00 ATOM 651 C ILE 79 23.221 49.925 37.716 1.00 0.00 ATOM 652 N ASP 80 24.306 50.435 38.298 1.00 0.00 ATOM 653 CA ASP 80 24.306 51.785 38.845 1.00 0.00 ATOM 654 CB ASP 80 23.933 51.783 40.325 1.00 0.00 ATOM 655 CG ASP 80 24.110 53.168 40.909 1.00 0.00 ATOM 656 OD1 ASP 80 25.137 53.450 41.578 1.00 0.00 ATOM 657 OD2 ASP 80 23.236 54.012 40.624 1.00 0.00 ATOM 658 O ASP 80 26.618 51.370 39.344 1.00 0.00 ATOM 659 C ASP 80 25.739 52.213 39.145 1.00 0.00 ATOM 660 N GLY 81 25.961 53.543 39.170 1.00 0.00 ATOM 661 CA GLY 81 27.297 54.028 39.459 1.00 0.00 ATOM 662 O GLY 81 29.202 54.907 38.347 1.00 0.00 ATOM 663 C GLY 81 28.145 54.293 38.231 1.00 0.00 ATOM 664 N ARG 82 27.719 53.843 37.059 1.00 0.00 ATOM 665 CA ARG 82 28.459 54.059 35.827 1.00 0.00 ATOM 666 CB ARG 82 29.213 53.122 35.197 1.00 0.00 ATOM 667 CG ARG 82 29.971 53.772 34.023 1.00 0.00 ATOM 668 CD ARG 82 29.215 53.757 32.726 1.00 0.00 ATOM 669 NE ARG 82 29.824 54.556 31.648 1.00 0.00 ATOM 670 CZ ARG 82 30.819 55.447 31.781 1.00 0.00 ATOM 671 NH1 ARG 82 31.386 55.696 32.961 1.00 0.00 ATOM 672 NH2 ARG 82 31.251 56.099 30.712 1.00 0.00 ATOM 673 O ARG 82 26.635 55.062 34.738 1.00 0.00 ATOM 674 C ARG 82 27.773 55.214 35.181 1.00 0.00 ATOM 675 N ILE 83 28.412 56.387 35.159 1.00 0.00 ATOM 676 CA ILE 83 27.818 57.605 34.630 1.00 0.00 ATOM 677 CB ILE 83 27.520 58.695 35.655 1.00 0.00 ATOM 678 CG1 ILE 83 26.533 58.199 36.758 1.00 0.00 ATOM 679 CG2 ILE 83 26.999 59.913 34.924 1.00 0.00 ATOM 680 CD1 ILE 83 25.182 57.987 36.293 1.00 0.00 ATOM 681 O ILE 83 29.976 58.180 33.772 1.00 0.00 ATOM 682 C ILE 83 28.764 58.169 33.587 1.00 0.00 ATOM 683 N VAL 84 28.204 58.647 32.484 1.00 0.00 ATOM 684 CA VAL 84 29.020 59.217 31.423 1.00 0.00 ATOM 685 CB VAL 84 28.448 58.889 30.032 1.00 0.00 ATOM 686 CG1 VAL 84 28.395 57.383 29.819 1.00 0.00 ATOM 687 CG2 VAL 84 27.041 59.445 29.891 1.00 0.00 ATOM 688 O VAL 84 29.758 61.300 30.566 1.00 0.00 ATOM 689 C VAL 84 29.144 60.723 31.453 1.00 0.00 ATOM 690 N ASN 85 28.523 61.377 32.427 1.00 0.00 ATOM 691 CA ASN 85 28.662 62.820 32.501 1.00 0.00 ATOM 692 CB ASN 85 30.025 63.252 32.069 1.00 0.00 ATOM 693 CG ASN 85 31.045 62.865 33.128 1.00 0.00 ATOM 694 ND2 ASN 85 32.314 62.806 32.756 1.00 0.00 ATOM 695 OD1 ASN 85 30.678 62.613 34.277 1.00 0.00 ATOM 696 O ASN 85 27.587 64.634 31.322 1.00 0.00 ATOM 697 C ASN 85 27.445 63.573 31.942 1.00 0.00 ATOM 698 N GLU 86 26.300 63.159 32.368 1.00 0.00 ATOM 699 CA GLU 86 25.053 63.911 32.156 1.00 0.00 ATOM 700 CB GLU 86 24.042 63.078 31.364 1.00 0.00 ATOM 701 CG GLU 86 23.558 61.835 32.091 1.00 0.00 ATOM 702 CD GLU 86 22.735 60.923 31.200 1.00 0.00 ATOM 703 OE1 GLU 86 22.508 61.286 30.027 1.00 0.00 ATOM 704 OE2 GLU 86 22.319 59.846 31.676 1.00 0.00 ATOM 705 O GLU 86 25.021 63.650 34.545 1.00 0.00 ATOM 706 C GLU 86 24.535 64.215 33.564 1.00 0.00 ATOM 707 N PRO 87 23.579 65.134 33.668 1.00 0.00 ATOM 708 CA PRO 87 23.018 65.491 34.967 1.00 0.00 ATOM 709 CB PRO 87 21.834 66.398 34.621 1.00 0.00 ATOM 710 CG PRO 87 22.189 66.986 33.296 1.00 0.00 ATOM 711 CD PRO 87 22.888 65.897 32.530 1.00 0.00 ATOM 712 O PRO 87 22.188 63.253 35.092 1.00 0.00 ATOM 713 C PRO 87 22.567 64.244 35.707 1.00 0.00 ATOM 714 N SER 88 22.673 64.304 37.055 1.00 0.00 ATOM 715 CA SER 88 22.302 63.177 37.898 1.00 0.00 ATOM 716 CB SER 88 22.331 63.601 39.368 1.00 0.00 ATOM 717 OG SER 88 21.374 64.613 39.627 1.00 0.00 ATOM 718 O SER 88 20.551 61.523 37.780 1.00 0.00 ATOM 719 C SER 88 20.887 62.689 37.578 1.00 0.00 ATOM 720 N GLU 89 20.066 63.586 37.056 1.00 0.00 ATOM 721 CA GLU 89 18.714 63.230 36.697 1.00 0.00 ATOM 722 CB GLU 89 17.759 63.314 38.009 1.00 0.00 ATOM 723 CG GLU 89 18.473 63.662 39.261 1.00 0.00 ATOM 724 CD GLU 89 17.521 64.062 40.409 1.00 0.00 ATOM 725 OE1 GLU 89 16.556 64.865 40.204 1.00 0.00 ATOM 726 OE2 GLU 89 17.752 63.591 41.550 1.00 0.00 ATOM 727 O GLU 89 17.827 64.901 35.207 1.00 0.00 ATOM 728 C GLU 89 18.381 63.803 35.325 1.00 0.00 ATOM 729 N LEU 90 18.748 63.053 34.287 1.00 0.00 ATOM 730 CA LEU 90 18.481 63.490 32.923 1.00 0.00 ATOM 731 CB LEU 90 19.157 63.123 31.883 1.00 0.00 ATOM 732 CG LEU 90 20.245 64.176 31.707 1.00 0.00 ATOM 733 CD1 LEU 90 21.010 63.799 30.446 1.00 0.00 ATOM 734 CD2 LEU 90 19.687 65.609 31.607 1.00 0.00 ATOM 735 O LEU 90 16.399 62.319 32.833 1.00 0.00 ATOM 736 C LEU 90 17.042 63.310 32.479 1.00 0.00 ATOM 737 N ASN 91 16.554 64.262 31.688 1.00 0.00 ATOM 738 CA ASN 91 15.208 64.181 31.140 1.00 0.00 ATOM 739 CB ASN 91 14.833 65.490 30.445 1.00 0.00 ATOM 740 CG ASN 91 14.645 66.634 31.421 1.00 0.00 ATOM 741 ND2 ASN 91 14.818 67.859 30.936 1.00 0.00 ATOM 742 OD1 ASN 91 14.350 66.419 32.598 1.00 0.00 ATOM 743 O ASN 91 16.419 62.534 29.899 1.00 0.00 ATOM 744 C ASN 91 15.312 62.975 30.204 1.00 0.00 ATOM 745 N GLN 92 14.237 62.270 29.968 1.00 0.00 ATOM 746 CA GLN 92 14.213 61.085 29.116 1.00 0.00 ATOM 747 CB GLN 92 12.776 60.655 28.814 1.00 0.00 ATOM 748 CG GLN 92 12.669 59.468 27.871 1.00 0.00 ATOM 749 CD GLN 92 11.234 59.036 27.636 1.00 0.00 ATOM 750 OE1 GLN 92 10.295 59.724 28.039 1.00 0.00 ATOM 751 NE2 GLN 92 11.060 57.895 26.983 1.00 0.00 ATOM 752 O GLN 92 15.575 60.436 27.278 1.00 0.00 ATOM 753 C GLN 92 14.827 61.294 27.735 1.00 0.00 ATOM 754 N GLU 93 14.572 62.417 27.087 1.00 0.00 ATOM 755 CA GLU 93 15.164 62.667 25.764 1.00 0.00 ATOM 756 CB GLU 93 14.551 63.918 25.129 1.00 0.00 ATOM 757 CG GLU 93 13.108 63.746 24.687 1.00 0.00 ATOM 758 CD GLU 93 12.508 65.028 24.146 1.00 0.00 ATOM 759 OE1 GLU 93 13.200 66.067 24.174 1.00 0.00 ATOM 760 OE2 GLU 93 11.344 64.996 23.693 1.00 0.00 ATOM 761 O GLU 93 17.431 62.286 25.098 1.00 0.00 ATOM 762 C GLU 93 16.674 62.788 25.912 1.00 0.00 ATOM 763 N GLU 94 17.116 63.411 27.007 1.00 0.00 ATOM 764 CA GLU 94 18.533 63.563 27.291 1.00 0.00 ATOM 765 CB GLU 94 18.748 64.546 28.444 1.00 0.00 ATOM 766 CG GLU 94 18.294 65.965 28.143 1.00 0.00 ATOM 767 CD GLU 94 18.463 66.894 29.327 1.00 0.00 ATOM 768 OE1 GLU 94 18.879 66.415 30.404 1.00 0.00 ATOM 769 OE2 GLU 94 18.180 68.102 29.181 1.00 0.00 ATOM 770 O GLU 94 20.255 61.858 27.175 1.00 0.00 ATOM 771 C GLU 94 19.152 62.206 27.634 1.00 0.00 ATOM 772 N VAL 95 18.408 61.433 28.426 1.00 0.00 ATOM 773 CA VAL 95 18.836 60.101 28.821 1.00 0.00 ATOM 774 CB VAL 95 17.799 59.422 29.734 1.00 0.00 ATOM 775 CG1 VAL 95 18.170 57.965 29.972 1.00 0.00 ATOM 776 CG2 VAL 95 17.732 60.127 31.081 1.00 0.00 ATOM 777 O VAL 95 19.951 58.449 27.433 1.00 0.00 ATOM 778 C VAL 95 19.000 59.262 27.545 1.00 0.00 ATOM 779 N GLU 96 18.128 59.505 26.563 1.00 0.00 ATOM 780 CA GLU 96 18.238 58.810 25.274 1.00 0.00 ATOM 781 CB GLU 96 17.049 59.186 24.388 1.00 0.00 ATOM 782 CG GLU 96 15.719 58.630 24.866 1.00 0.00 ATOM 783 CD GLU 96 14.553 59.094 24.014 1.00 0.00 ATOM 784 OE1 GLU 96 14.774 59.920 23.104 1.00 0.00 ATOM 785 OE2 GLU 96 13.418 58.634 24.258 1.00 0.00 ATOM 786 O GLU 96 19.859 58.413 23.597 1.00 0.00 ATOM 787 C GLU 96 19.494 59.132 24.513 1.00 0.00 ATOM 788 N THR 97 20.168 60.214 24.887 1.00 0.00 ATOM 789 CA THR 97 21.372 60.585 24.168 1.00 0.00 ATOM 790 CB THR 97 21.336 62.061 23.731 1.00 0.00 ATOM 791 CG2 THR 97 20.139 62.321 22.829 1.00 0.00 ATOM 792 OG1 THR 97 21.237 62.902 24.886 1.00 0.00 ATOM 793 O THR 97 23.699 60.207 24.350 1.00 0.00 ATOM 794 C THR 97 22.692 60.434 24.965 1.00 0.00 ATOM 795 N LEU 98 22.649 60.564 26.212 1.00 0.00 ATOM 796 CA LEU 98 23.909 60.606 26.973 1.00 0.00 ATOM 797 CB LEU 98 24.076 61.836 27.868 1.00 0.00 ATOM 798 CG LEU 98 24.139 63.188 27.155 1.00 0.00 ATOM 799 CD1 LEU 98 24.180 64.326 28.165 1.00 0.00 ATOM 800 CD2 LEU 98 25.383 63.280 26.284 1.00 0.00 ATOM 801 O LEU 98 25.083 59.279 28.588 1.00 0.00 ATOM 802 C LEU 98 24.068 59.405 27.902 1.00 0.00 ATOM 803 N ALA 99 23.098 58.501 27.903 1.00 0.00 ATOM 804 CA ALA 99 23.199 57.321 28.746 1.00 0.00 ATOM 805 CB ALA 99 22.400 57.514 30.025 1.00 0.00 ATOM 806 O ALA 99 23.312 54.974 28.240 1.00 0.00 ATOM 807 C ALA 99 22.678 56.016 28.109 1.00 0.00 ATOM 808 N ARG 100 21.575 56.082 27.440 1.00 0.00 ATOM 809 CA ARG 100 21.015 54.889 26.804 1.00 0.00 ATOM 810 CB ARG 100 19.676 55.214 26.139 1.00 0.00 ATOM 811 CG ARG 100 18.987 54.014 25.510 1.00 0.00 ATOM 812 CD ARG 100 17.713 54.424 24.789 1.00 0.00 ATOM 813 NE ARG 100 17.987 55.274 23.635 1.00 0.00 ATOM 814 CZ ARG 100 18.424 54.825 22.462 1.00 0.00 ATOM 815 NH1 ARG 100 18.645 55.673 21.467 1.00 0.00 ATOM 816 NH2 ARG 100 18.639 53.529 22.287 1.00 0.00 ATOM 817 O ARG 100 22.193 53.126 25.656 1.00 0.00 ATOM 818 C ARG 100 21.934 54.331 25.711 1.00 0.00 ATOM 819 N PRO 101 22.443 55.197 24.828 1.00 0.00 ATOM 820 CA PRO 101 23.325 54.730 23.755 1.00 0.00 ATOM 821 CB PRO 101 23.744 56.013 23.035 1.00 0.00 ATOM 822 CG PRO 101 22.587 56.938 23.218 1.00 0.00 ATOM 823 CD PRO 101 22.089 56.712 24.618 1.00 0.00 ATOM 824 O PRO 101 24.875 52.902 23.744 1.00 0.00 ATOM 825 C PRO 101 24.554 53.967 24.251 1.00 0.00 ATOM 826 N CYS 102 25.186 54.474 25.302 1.00 0.00 ATOM 827 CA CYS 102 26.390 53.864 25.840 1.00 0.00 ATOM 828 CB CYS 102 27.075 54.820 26.819 1.00 0.00 ATOM 829 SG CYS 102 27.743 56.317 26.057 1.00 0.00 ATOM 830 O CYS 102 26.781 51.568 26.420 1.00 0.00 ATOM 831 C CYS 102 26.073 52.571 26.573 1.00 0.00 ATOM 832 N LEU 103 24.998 52.584 27.398 1.00 0.00 ATOM 833 CA LEU 103 24.578 51.388 28.120 1.00 0.00 ATOM 834 CB LEU 103 23.320 51.674 28.943 1.00 0.00 ATOM 835 CG LEU 103 23.495 52.602 30.148 1.00 0.00 ATOM 836 CD1 LEU 103 22.147 52.944 30.762 1.00 0.00 ATOM 837 CD2 LEU 103 24.351 51.940 31.217 1.00 0.00 ATOM 838 O LEU 103 24.597 49.137 27.318 1.00 0.00 ATOM 839 C LEU 103 24.303 50.297 27.084 1.00 0.00 ATOM 840 N ASN 104 23.679 50.710 25.981 1.00 0.00 ATOM 841 CA ASN 104 23.326 49.695 24.949 1.00 0.00 ATOM 842 CB ASN 104 22.523 50.374 23.837 1.00 0.00 ATOM 843 CG ASN 104 21.098 50.683 24.252 1.00 0.00 ATOM 844 ND2 ASN 104 20.464 51.610 23.543 1.00 0.00 ATOM 845 OD1 ASN 104 20.576 50.096 25.200 1.00 0.00 ATOM 846 O ASN 104 24.660 47.922 24.028 1.00 0.00 ATOM 847 C ASN 104 24.596 49.115 24.338 1.00 0.00 ATOM 848 N MET 105 25.596 49.961 24.137 1.00 0.00 ATOM 849 CA MET 105 26.851 49.500 23.562 1.00 0.00 ATOM 850 CB MET 105 27.841 50.659 23.435 1.00 0.00 ATOM 851 CG MET 105 27.458 51.690 22.386 1.00 0.00 ATOM 852 SD MET 105 28.576 53.104 22.360 1.00 0.00 ATOM 853 CE MET 105 30.073 52.341 21.736 1.00 0.00 ATOM 854 O MET 105 27.817 47.331 23.963 1.00 0.00 ATOM 855 C MET 105 27.446 48.406 24.443 1.00 0.00 ATOM 856 N LEU 106 27.518 48.668 25.750 1.00 0.00 ATOM 857 CA LEU 106 28.069 47.710 26.699 1.00 0.00 ATOM 858 CB LEU 106 28.100 48.351 28.087 1.00 0.00 ATOM 859 CG LEU 106 28.660 47.489 29.220 1.00 0.00 ATOM 860 CD1 LEU 106 30.108 47.113 28.943 1.00 0.00 ATOM 861 CD2 LEU 106 28.610 48.239 30.543 1.00 0.00 ATOM 862 O LEU 106 27.739 45.343 26.834 1.00 0.00 ATOM 863 C LEU 106 27.216 46.454 26.811 1.00 0.00 ATOM 864 N ASN 107 25.913 46.627 26.883 1.00 0.00 ATOM 865 CA ASN 107 25.024 45.480 26.987 1.00 0.00 ATOM 866 CB ASN 107 23.563 45.919 27.100 1.00 0.00 ATOM 867 CG ASN 107 23.225 46.473 28.472 1.00 0.00 ATOM 868 ND2 ASN 107 22.137 47.229 28.552 1.00 0.00 ATOM 869 OD1 ASN 107 23.936 46.220 29.445 1.00 0.00 ATOM 870 O ASN 107 25.329 43.406 25.859 1.00 0.00 ATOM 871 C ASN 107 25.140 44.604 25.747 1.00 0.00 ATOM 872 N ARG 108 25.043 45.165 24.566 1.00 0.00 ATOM 873 CA ARG 108 25.109 44.436 23.300 1.00 0.00 ATOM 874 CB ARG 108 24.995 45.401 22.119 1.00 0.00 ATOM 875 CG ARG 108 23.611 46.001 21.938 1.00 0.00 ATOM 876 CD ARG 108 23.589 47.003 20.795 1.00 0.00 ATOM 877 NE ARG 108 22.271 47.612 20.626 1.00 0.00 ATOM 878 CZ ARG 108 21.998 48.571 19.749 1.00 0.00 ATOM 879 NH1 ARG 108 20.770 49.063 19.665 1.00 0.00 ATOM 880 NH2 ARG 108 22.953 49.036 18.955 1.00 0.00 ATOM 881 O ARG 108 26.445 42.539 22.673 1.00 0.00 ATOM 882 C ARG 108 26.427 43.692 23.110 1.00 0.00 ATOM 883 N LEU 109 27.541 44.352 23.439 1.00 0.00 ATOM 884 CA LEU 109 28.850 43.729 23.309 1.00 0.00 ATOM 885 CB LEU 109 29.950 44.736 23.653 1.00 0.00 ATOM 886 CG LEU 109 30.064 45.957 22.739 1.00 0.00 ATOM 887 CD1 LEU 109 31.067 46.954 23.296 1.00 0.00 ATOM 888 CD2 LEU 109 30.525 45.544 21.350 1.00 0.00 ATOM 889 O LEU 109 29.633 41.497 23.779 1.00 0.00 ATOM 890 C LEU 109 29.007 42.482 24.183 1.00 0.00 ATOM 891 N THR 110 28.459 42.536 25.392 1.00 0.00 ATOM 892 CA THR 110 28.547 41.391 26.293 1.00 0.00 ATOM 893 CB THR 110 27.953 41.715 27.677 1.00 0.00 ATOM 894 CG2 THR 110 28.021 40.496 28.583 1.00 0.00 ATOM 895 OG1 THR 110 28.694 42.783 28.280 1.00 0.00 ATOM 896 O THR 110 28.200 39.039 25.889 1.00 0.00 ATOM 897 C THR 110 27.772 40.192 25.734 1.00 0.00 ATOM 898 N TYR 111 26.637 40.464 25.084 1.00 0.00 ATOM 899 CA TYR 111 25.808 39.430 24.458 1.00 0.00 ATOM 900 CB TYR 111 24.588 40.074 23.765 1.00 0.00 ATOM 901 CG TYR 111 23.974 39.132 22.757 1.00 0.00 ATOM 902 CD1 TYR 111 23.173 38.064 23.171 1.00 0.00 ATOM 903 CD2 TYR 111 24.310 39.218 21.407 1.00 0.00 ATOM 904 CE1 TYR 111 22.737 37.099 22.266 1.00 0.00 ATOM 905 CE2 TYR 111 23.878 38.256 20.494 1.00 0.00 ATOM 906 CZ TYR 111 23.098 37.199 20.932 1.00 0.00 ATOM 907 OH TYR 111 22.715 36.214 20.049 1.00 0.00 ATOM 908 O TYR 111 26.547 37.398 23.401 1.00 0.00 ATOM 909 C TYR 111 26.639 38.628 23.460 1.00 0.00 ATOM 910 N GLU 112 27.432 39.355 22.653 1.00 0.00 ATOM 911 CA GLU 112 28.298 38.754 21.644 1.00 0.00 ATOM 912 CB GLU 112 29.117 39.803 20.889 1.00 0.00 ATOM 913 CG GLU 112 28.293 40.690 19.970 1.00 0.00 ATOM 914 CD GLU 112 29.116 41.794 19.336 1.00 0.00 ATOM 915 OE1 GLU 112 30.312 41.912 19.672 1.00 0.00 ATOM 916 OE2 GLU 112 28.562 42.542 18.502 1.00 0.00 ATOM 917 O GLU 112 29.314 36.616 21.782 1.00 0.00 ATOM 918 C GLU 112 29.214 37.719 22.277 1.00 0.00 ATOM 919 N VAL 113 29.906 38.086 23.345 1.00 0.00 ATOM 920 CA VAL 113 30.806 37.138 24.006 1.00 0.00 ATOM 921 CB VAL 113 31.621 37.833 25.114 1.00 0.00 ATOM 922 CG1 VAL 113 32.505 36.827 25.835 1.00 0.00 ATOM 923 CG2 VAL 113 32.508 38.916 24.521 1.00 0.00 ATOM 924 O VAL 113 30.484 34.891 24.725 1.00 0.00 ATOM 925 C VAL 113 30.032 36.037 24.696 1.00 0.00 ATOM 926 N THR 114 28.876 36.387 25.309 1.00 0.00 ATOM 927 CA THR 114 28.065 35.363 25.979 1.00 0.00 ATOM 928 CB THR 114 26.760 36.021 26.464 1.00 0.00 ATOM 929 CG2 THR 114 25.841 34.985 27.092 1.00 0.00 ATOM 930 OG1 THR 114 27.064 37.024 27.442 1.00 0.00 ATOM 931 O THR 114 27.732 33.080 25.312 1.00 0.00 ATOM 932 C THR 114 27.689 34.257 24.991 1.00 0.00 ATOM 933 N GLU 115 27.273 34.643 23.794 1.00 0.00 ATOM 934 CA GLU 115 26.909 33.668 22.765 1.00 0.00 ATOM 935 CB GLU 115 26.698 34.363 21.418 1.00 0.00 ATOM 936 CG GLU 115 26.257 33.431 20.302 1.00 0.00 ATOM 937 CD GLU 115 25.998 34.164 19.000 1.00 0.00 ATOM 938 OE1 GLU 115 26.139 35.405 18.979 1.00 0.00 ATOM 939 OE2 GLU 115 25.652 33.497 18.002 1.00 0.00 ATOM 940 O GLU 115 27.699 31.450 22.308 1.00 0.00 ATOM 941 C GLU 115 27.995 32.624 22.531 1.00 0.00 ATOM 942 N ILE 116 29.256 33.066 22.576 1.00 0.00 ATOM 943 CA ILE 116 30.368 32.139 22.385 1.00 0.00 ATOM 944 CB ILE 116 31.712 32.888 22.436 1.00 0.00 ATOM 945 CG1 ILE 116 31.847 33.824 21.232 1.00 0.00 ATOM 946 CG2 ILE 116 32.871 31.903 22.412 1.00 0.00 ATOM 947 CD1 ILE 116 33.009 34.787 21.336 1.00 0.00 ATOM 948 O ILE 116 30.576 29.895 23.235 1.00 0.00 ATOM 949 C ILE 116 30.360 31.081 23.489 1.00 0.00 ATOM 950 N ALA 117 30.093 31.515 24.714 1.00 0.00 ATOM 951 CA ALA 117 30.044 30.601 25.851 1.00 0.00 ATOM 952 CB ALA 117 29.671 31.351 27.119 1.00 0.00 ATOM 953 O ALA 117 29.235 28.334 25.919 1.00 0.00 ATOM 954 C ALA 117 29.003 29.504 25.611 1.00 0.00 ATOM 955 N LEU 118 27.856 29.895 25.069 1.00 0.00 ATOM 956 CA LEU 118 26.776 28.954 24.790 1.00 0.00 ATOM 957 CB LEU 118 25.538 29.652 24.283 1.00 0.00 ATOM 958 CG LEU 118 24.809 30.421 25.390 1.00 0.00 ATOM 959 CD1 LEU 118 23.624 31.167 24.797 1.00 0.00 ATOM 960 CD2 LEU 118 24.334 29.459 26.480 1.00 0.00 ATOM 961 O LEU 118 26.815 26.747 23.859 1.00 0.00 ATOM 962 C LEU 118 27.178 27.917 23.747 1.00 0.00 ATOM 963 N ASP 119 27.937 28.339 22.742 1.00 0.00 ATOM 964 CA ASP 119 28.365 27.417 21.699 1.00 0.00 ATOM 965 CB ASP 119 28.858 28.191 20.474 1.00 0.00 ATOM 966 CG ASP 119 27.729 28.867 19.719 1.00 0.00 ATOM 967 OD1 ASP 119 26.556 28.530 19.982 1.00 0.00 ATOM 968 OD2 ASP 119 28.019 29.732 18.868 1.00 0.00 ATOM 969 O ASP 119 29.679 25.412 21.577 1.00 0.00 ATOM 970 C ASP 119 29.498 26.494 22.141 1.00 0.00 ATOM 971 N LEU 120 30.255 26.909 23.154 1.00 0.00 ATOM 972 CA LEU 120 31.376 26.106 23.632 1.00 0.00 ATOM 973 CB LEU 120 32.150 26.859 24.715 1.00 0.00 ATOM 974 CG LEU 120 32.860 28.140 24.273 1.00 0.00 ATOM 975 CD1 LEU 120 33.489 28.845 25.465 1.00 0.00 ATOM 976 CD2 LEU 120 33.960 27.828 23.270 1.00 0.00 ATOM 977 O LEU 120 29.872 24.704 24.861 1.00 0.00 ATOM 978 C LEU 120 30.916 24.778 24.217 1.00 0.00 ATOM 979 N PRO 121 31.651 23.722 24.014 1.00 0.00 ATOM 980 CA PRO 121 31.274 22.415 24.560 1.00 0.00 ATOM 981 CB PRO 121 32.483 21.543 24.220 1.00 0.00 ATOM 982 CG PRO 121 32.947 22.110 22.926 1.00 0.00 ATOM 983 CD PRO 121 32.841 23.610 23.149 1.00 0.00 ATOM 984 O PRO 121 31.766 23.164 26.794 1.00 0.00 ATOM 985 C PRO 121 31.035 22.485 26.059 1.00 0.00 ATOM 986 N GLY 122 29.989 21.804 26.510 1.00 0.00 ATOM 987 CA GLY 122 29.743 21.648 27.934 1.00 0.00 ATOM 988 O GLY 122 28.398 22.531 29.670 1.00 0.00 ATOM 989 C GLY 122 28.808 22.677 28.522 1.00 0.00 ATOM 990 N ILE 123 28.472 23.734 27.800 1.00 0.00 ATOM 991 CA ILE 123 27.483 24.691 28.259 1.00 0.00 ATOM 992 CB ILE 123 27.934 26.141 28.004 1.00 0.00 ATOM 993 CG1 ILE 123 29.284 26.407 28.672 1.00 0.00 ATOM 994 CG2 ILE 123 26.916 27.122 28.566 1.00 0.00 ATOM 995 CD1 ILE 123 29.271 26.209 30.173 1.00 0.00 ATOM 996 O ILE 123 26.107 24.462 26.324 1.00 0.00 ATOM 997 C ILE 123 26.151 24.505 27.539 1.00 0.00 ATOM 998 N ASN 124 25.056 24.372 28.317 1.00 0.00 ATOM 999 CA ASN 124 23.722 24.204 27.718 1.00 0.00 ATOM 1000 CB ASN 124 22.682 23.900 28.799 1.00 0.00 ATOM 1001 CG ASN 124 22.870 22.530 29.419 1.00 0.00 ATOM 1002 ND2 ASN 124 22.388 22.364 30.645 1.00 0.00 ATOM 1003 OD1 ASN 124 23.441 21.630 28.800 1.00 0.00 ATOM 1004 O ASN 124 23.691 26.571 27.482 1.00 0.00 ATOM 1005 C ASN 124 23.381 25.507 26.991 1.00 0.00 ATOM 1006 N LEU 125 22.765 25.424 25.824 1.00 0.00 ATOM 1007 CA LEU 125 22.407 26.659 25.112 1.00 0.00 ATOM 1008 CB LEU 125 21.649 26.332 23.823 1.00 0.00 ATOM 1009 CG LEU 125 22.459 25.661 22.713 1.00 0.00 ATOM 1010 CD1 LEU 125 21.552 25.244 21.564 1.00 0.00 ATOM 1011 CD2 LEU 125 23.512 26.611 22.166 1.00 0.00 ATOM 1012 O LEU 125 21.531 28.788 25.780 1.00 0.00 ATOM 1013 C LEU 125 21.515 27.572 25.951 1.00 0.00 ATOM 1014 N GLU 126 20.727 27.016 26.873 1.00 0.00 ATOM 1015 CA GLU 126 19.909 27.861 27.707 1.00 0.00 ATOM 1016 CB GLU 126 19.020 27.013 28.619 1.00 0.00 ATOM 1017 CG GLU 126 17.977 26.191 27.881 1.00 0.00 ATOM 1018 CD GLU 126 18.542 24.899 27.325 1.00 0.00 ATOM 1019 OE1 GLU 126 19.751 24.646 27.517 1.00 0.00 ATOM 1020 OE2 GLU 126 17.776 24.137 26.696 1.00 0.00 ATOM 1021 O GLU 126 20.228 29.803 29.071 1.00 0.00 ATOM 1022 C GLU 126 20.743 28.780 28.594 1.00 0.00 ATOM 1023 N PHE 127 22.008 28.455 28.789 1.00 0.00 ATOM 1024 CA PHE 127 22.916 29.237 29.610 1.00 0.00 ATOM 1025 CB PHE 127 24.310 28.607 29.614 1.00 0.00 ATOM 1026 CG PHE 127 25.213 29.141 30.689 1.00 0.00 ATOM 1027 CD1 PHE 127 25.009 28.805 32.016 1.00 0.00 ATOM 1028 CD2 PHE 127 26.268 29.981 30.372 1.00 0.00 ATOM 1029 CE1 PHE 127 25.839 29.297 33.005 1.00 0.00 ATOM 1030 CE2 PHE 127 27.098 30.473 31.360 1.00 0.00 ATOM 1031 CZ PHE 127 26.889 30.134 32.672 1.00 0.00 ATOM 1032 O PHE 127 23.109 31.609 29.884 1.00 0.00 ATOM 1033 C PHE 127 23.048 30.667 29.096 1.00 0.00 TER END