PFRMAT TS TARGET T0363 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 One 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 For T0363, we had modest fold-recognition hits to 1vjkA and similar METHOD proteins. We optimized mainly with undertaker, ocassionally running METHOD through gromacs and repacking sidechains with rosetta to get out of a METHOD local minimum. We have selected 5 models based partly on score and METHOD partly on the desire to have a variety of different loop METHOD configurations. METHOD METHOD Model 1 is try16-opt2, which appears ot have done the best job of METHOD closing gaps. METHOD try16-opt2 < try10-opt2 < try7-opt2 < try5-opt2 < try4-opt2.gromacs0.repack-nonPC < alignments (mainly 1vjkA) METHOD METHOD Model 2 is try18-opt2.gromacs0.repack-nonPC, the model that rosetta METHOD liked best of all the backbones for which we had it repack METHOD sidechains (not counting a couple of models that had no beta sheets). METHOD try18-opt2.gromacs0.repack-nonPC < try6-opt2.gromacs0.repack-nonPC METHOD < try1-opt2.gromacs0.repack-nonPC < alignments (mainly 1vjkA) METHOD METHOD Model 3 is try3-opt2, which scored rather poorly, but was one of the METHOD few models that did not seem to be based mainly on 1vjkA. METHOD try3-opt2 < alignments (1fm0D) METHOD METHOD Model 4 is try8-opt2, which is included mainly for diversity of loops. METHOD try8-opt2 < alignments (1vjkA) METHOD METHOD Model 5 is try14-opt2, which is included mainly for diversity of loops. METHOD try14-opt2 < try11-opt2 < alignments (1vjkA) REMARK 6 REMARK 6 T0363 model 4 Wed Jul 26 13:16:44 2006 MODEL 4 PARENT 1vjk_A 1oqq_A 1xlq_A 2bb6_A 1frr_A REMARK 7 REMARK 7 ALLPARENTS 1vjk_A 1oqq_A 1xlq_A 2bb6_A 1frr_A 1zud_2 1uwm_A REMARK 7 ALLPARENTS 2bwf_A 1fm0_D 2bps_A 1ryj_A 2cu3_A 1rws_A 1yqb_A REMARK 7 ALLPARENTS 1frd 1c1y_B 1yj1_A 1awd 1e9m_A ATOM 1 N MET 1 1.657 27.756 13.260 1.00 0.00 ATOM 2 CA MET 1 2.301 28.284 12.030 1.00 0.00 ATOM 3 CB MET 1 3.161 29.508 12.365 1.00 0.00 ATOM 4 CG MET 1 4.283 29.227 13.353 1.00 0.00 ATOM 5 SD MET 1 5.374 30.644 13.585 1.00 0.00 ATOM 6 CE MET 1 6.622 30.311 12.339 1.00 0.00 ATOM 7 O MET 1 3.014 26.034 11.651 1.00 0.00 ATOM 8 C MET 1 2.826 27.152 11.174 1.00 0.00 ATOM 9 N ALA 2 3.044 27.451 9.894 1.00 0.00 ATOM 10 CA ALA 2 3.540 26.435 8.976 1.00 0.00 ATOM 11 CB ALA 2 3.619 26.991 7.557 1.00 0.00 ATOM 12 O ALA 2 5.211 24.756 9.428 1.00 0.00 ATOM 13 C ALA 2 4.927 25.958 9.426 1.00 0.00 ATOM 14 N HIS 3 5.787 26.890 9.832 1.00 0.00 ATOM 15 CA HIS 3 7.135 26.529 10.272 1.00 0.00 ATOM 16 CB HIS 3 7.964 27.792 10.526 1.00 0.00 ATOM 17 CG HIS 3 9.407 27.516 10.820 1.00 0.00 ATOM 18 CD2 HIS 3 10.470 27.379 9.992 1.00 0.00 ATOM 19 ND1 HIS 3 9.884 27.312 12.097 1.00 0.00 ATOM 20 CE1 HIS 3 11.180 27.061 12.041 1.00 0.00 ATOM 21 NE2 HIS 3 11.562 27.096 10.778 1.00 0.00 ATOM 22 O HIS 3 7.789 24.666 11.653 1.00 0.00 ATOM 23 C HIS 3 7.076 25.669 11.535 1.00 0.00 ATOM 24 N HIS 4 6.234 26.082 12.489 1.00 0.00 ATOM 25 CA HIS 4 6.091 25.325 13.744 1.00 0.00 ATOM 26 CB HIS 4 5.058 26.001 14.640 1.00 0.00 ATOM 27 CG HIS 4 4.848 25.240 15.952 1.00 0.00 ATOM 28 CD2 HIS 4 3.805 24.459 16.320 1.00 0.00 ATOM 29 ND1 HIS 4 5.805 25.263 16.941 1.00 0.00 ATOM 30 CE1 HIS 4 5.348 24.467 17.984 1.00 0.00 ATOM 31 NE2 HIS 4 4.165 24.047 17.591 1.00 0.00 ATOM 32 O HIS 4 6.268 22.923 14.053 1.00 0.00 ATOM 33 C HIS 4 5.702 23.857 13.461 1.00 0.00 ATOM 34 N HIS 5 4.770 23.687 12.541 1.00 0.00 ATOM 35 CA HIS 5 4.316 22.346 12.189 1.00 0.00 ATOM 36 CB HIS 5 3.099 22.424 11.239 1.00 0.00 ATOM 37 CG HIS 5 1.813 22.781 11.914 1.00 0.00 ATOM 38 CD2 HIS 5 0.992 23.853 11.755 1.00 0.00 ATOM 39 ND1 HIS 5 1.235 21.957 12.872 1.00 0.00 ATOM 40 CE1 HIS 5 0.102 22.526 13.270 1.00 0.00 ATOM 41 NE2 HIS 5 -0.056 23.694 12.641 1.00 0.00 ATOM 42 O HIS 5 5.645 20.377 11.829 1.00 0.00 ATOM 43 C HIS 5 5.431 21.550 11.530 1.00 0.00 ATOM 44 N HIS 6 6.180 22.220 10.632 1.00 0.00 ATOM 45 CA HIS 6 7.296 21.580 9.944 1.00 0.00 ATOM 46 CB HIS 6 7.879 22.571 8.913 1.00 0.00 ATOM 47 CG HIS 6 9.001 22.026 8.108 1.00 0.00 ATOM 48 CD2 HIS 6 10.311 21.848 8.398 1.00 0.00 ATOM 49 ND1 HIS 6 8.828 21.602 6.810 1.00 0.00 ATOM 50 CE1 HIS 6 9.991 21.193 6.331 1.00 0.00 ATOM 51 NE2 HIS 6 10.902 21.300 7.282 1.00 0.00 ATOM 52 O HIS 6 8.906 19.982 10.748 1.00 0.00 ATOM 53 C HIS 6 8.393 21.107 10.878 1.00 0.00 ATOM 54 N HIS 7 8.756 21.967 11.832 1.00 0.00 ATOM 55 CA HIS 7 9.811 21.719 12.816 1.00 0.00 ATOM 56 CB HIS 7 10.003 22.964 13.727 1.00 0.00 ATOM 57 CG HIS 7 10.662 22.676 15.047 1.00 0.00 ATOM 58 CD2 HIS 7 10.151 22.554 16.297 1.00 0.00 ATOM 59 ND1 HIS 7 12.033 22.553 15.185 1.00 0.00 ATOM 60 CE1 HIS 7 12.322 22.290 16.449 1.00 0.00 ATOM 61 NE2 HIS 7 11.204 22.310 17.147 1.00 0.00 ATOM 62 O HIS 7 10.299 19.590 13.879 1.00 0.00 ATOM 63 C HIS 7 9.461 20.486 13.678 1.00 0.00 ATOM 64 N HIS 8 8.225 20.432 14.147 1.00 0.00 ATOM 65 CA HIS 8 7.774 19.317 14.974 1.00 0.00 ATOM 66 CB HIS 8 6.420 19.683 15.625 1.00 0.00 ATOM 67 CG HIS 8 5.854 18.637 16.541 1.00 0.00 ATOM 68 CD2 HIS 8 4.613 18.092 16.607 1.00 0.00 ATOM 69 ND1 HIS 8 6.592 18.024 17.528 1.00 0.00 ATOM 70 CE1 HIS 8 5.835 17.134 18.155 1.00 0.00 ATOM 71 NE2 HIS 8 4.633 17.151 17.617 1.00 0.00 ATOM 72 O HIS 8 8.143 16.927 14.670 1.00 0.00 ATOM 73 C HIS 8 7.747 17.975 14.177 1.00 0.00 ATOM 74 N SER 9 7.282 18.040 12.940 1.00 0.00 ATOM 75 CA SER 9 7.237 16.847 12.082 1.00 0.00 ATOM 76 CB SER 9 6.369 17.196 10.819 1.00 0.00 ATOM 77 OG SER 9 7.117 18.011 9.937 1.00 0.00 ATOM 78 O SER 9 8.736 15.100 11.367 1.00 0.00 ATOM 79 C SER 9 8.607 16.293 11.729 1.00 0.00 ATOM 80 N LEU 10 9.645 17.104 11.859 1.00 0.00 ATOM 81 CA LEU 10 10.979 16.640 11.581 1.00 0.00 ATOM 82 CB LEU 10 11.913 17.828 11.327 1.00 0.00 ATOM 83 CG LEU 10 11.695 18.519 9.983 1.00 0.00 ATOM 84 CD1 LEU 10 12.420 19.864 9.959 1.00 0.00 ATOM 85 CD2 LEU 10 12.186 17.675 8.797 1.00 0.00 ATOM 86 O LEU 10 12.544 15.111 12.460 1.00 0.00 ATOM 87 C LEU 10 11.546 15.763 12.676 1.00 0.00 ATOM 88 N ASN 11 10.866 15.741 13.890 1.00 0.00 ATOM 89 CA ASN 11 11.362 14.965 15.025 1.00 0.00 ATOM 90 CB ASN 11 11.043 13.464 14.822 1.00 0.00 ATOM 91 CG ASN 11 9.564 13.214 14.591 1.00 0.00 ATOM 92 ND2 ASN 11 8.726 13.764 15.462 1.00 0.00 ATOM 93 OD1 ASN 11 9.176 12.493 13.636 1.00 0.00 ATOM 94 O ASN 11 13.629 14.236 15.280 1.00 0.00 ATOM 95 C ASN 11 12.846 15.165 15.251 1.00 0.00 ATOM 96 N GLN 12 13.238 16.424 15.414 1.00 0.00 ATOM 97 CA GLN 12 14.659 16.751 15.508 1.00 0.00 ATOM 98 CB GLN 12 15.161 17.647 14.338 1.00 0.00 ATOM 99 CG GLN 12 15.267 17.043 12.955 1.00 0.00 ATOM 100 CD GLN 12 16.294 15.939 12.873 1.00 0.00 ATOM 101 OE1 GLN 12 17.479 16.101 12.551 1.00 0.00 ATOM 102 NE2 GLN 12 15.926 14.719 13.223 1.00 0.00 ATOM 103 O GLN 12 14.289 18.144 17.399 1.00 0.00 ATOM 104 C GLN 12 15.107 17.574 16.686 1.00 0.00 ATOM 105 N ILE 13 16.427 17.541 17.060 1.00 0.00 ATOM 106 CA ILE 13 16.875 18.231 18.219 1.00 0.00 ATOM 107 CB ILE 13 17.669 17.258 19.112 1.00 0.00 ATOM 108 CG1 ILE 13 16.738 16.196 19.700 1.00 0.00 ATOM 109 CG2 ILE 13 18.331 18.007 20.258 1.00 0.00 ATOM 110 CD1 ILE 13 17.464 15.075 20.411 1.00 0.00 ATOM 111 O ILE 13 18.768 19.020 16.972 1.00 0.00 ATOM 112 C ILE 13 17.804 19.332 17.676 1.00 0.00 ATOM 113 N ASN 14 17.492 20.599 17.946 1.00 0.00 ATOM 114 CA ASN 14 18.318 21.694 17.457 1.00 0.00 ATOM 115 CB ASN 14 17.445 22.804 16.870 1.00 0.00 ATOM 116 CG ASN 14 16.633 22.338 15.677 1.00 0.00 ATOM 117 ND2 ASN 14 15.312 22.362 15.816 1.00 0.00 ATOM 118 OD1 ASN 14 17.189 21.962 14.645 1.00 0.00 ATOM 119 O ASN 14 18.560 22.637 19.648 1.00 0.00 ATOM 120 C ASN 14 19.132 22.234 18.609 1.00 0.00 ATOM 121 N ILE 15 20.448 22.226 18.458 1.00 0.00 ATOM 122 CA ILE 15 21.339 22.715 19.505 1.00 0.00 ATOM 123 CB ILE 15 22.374 21.656 19.928 1.00 0.00 ATOM 124 CG1 ILE 15 23.237 21.246 18.733 1.00 0.00 ATOM 125 CG2 ILE 15 21.678 20.417 20.469 1.00 0.00 ATOM 126 CD1 ILE 15 24.411 20.366 19.101 1.00 0.00 ATOM 127 O ILE 15 22.281 24.100 17.765 1.00 0.00 ATOM 128 C ILE 15 22.075 23.933 18.990 1.00 0.00 ATOM 129 N GLU 16 22.462 24.812 19.891 1.00 0.00 ATOM 130 CA GLU 16 23.227 25.989 19.567 1.00 0.00 ATOM 131 CB GLU 16 22.712 27.199 20.349 1.00 0.00 ATOM 132 CG GLU 16 23.475 28.485 20.077 1.00 0.00 ATOM 133 CD GLU 16 22.946 29.659 20.878 1.00 0.00 ATOM 134 OE1 GLU 16 21.982 29.464 21.649 1.00 0.00 ATOM 135 OE2 GLU 16 23.494 30.771 20.736 1.00 0.00 ATOM 136 O GLU 16 24.938 25.410 21.116 1.00 0.00 ATOM 137 C GLU 16 24.649 25.674 19.940 1.00 0.00 ATOM 138 N ILE 17 25.547 25.698 18.974 1.00 0.00 ATOM 139 CA ILE 17 26.959 25.440 19.208 1.00 0.00 ATOM 140 CB ILE 17 27.542 24.544 18.113 1.00 0.00 ATOM 141 CG1 ILE 17 26.836 23.186 18.143 1.00 0.00 ATOM 142 CG2 ILE 17 29.034 24.353 18.353 1.00 0.00 ATOM 143 CD1 ILE 17 27.356 22.197 17.113 1.00 0.00 ATOM 144 O ILE 17 27.568 27.555 18.334 1.00 0.00 ATOM 145 C ILE 17 27.705 26.750 19.258 1.00 0.00 ATOM 146 N ALA 18 28.463 26.979 20.337 1.00 0.00 ATOM 147 CA ALA 18 29.267 28.198 20.479 1.00 0.00 ATOM 148 CB ALA 18 28.958 28.886 21.800 1.00 0.00 ATOM 149 O ALA 18 31.182 26.934 21.184 1.00 0.00 ATOM 150 C ALA 18 30.737 27.797 20.429 1.00 0.00 ATOM 151 N TYR 19 31.475 28.400 19.517 1.00 0.00 ATOM 152 CA TYR 19 32.893 28.110 19.365 1.00 0.00 ATOM 153 CB TYR 19 33.302 28.075 17.891 1.00 0.00 ATOM 154 CG TYR 19 32.693 26.931 17.112 1.00 0.00 ATOM 155 CD1 TYR 19 31.544 27.117 16.357 1.00 0.00 ATOM 156 CD2 TYR 19 33.272 25.668 17.135 1.00 0.00 ATOM 157 CE1 TYR 19 30.980 26.076 15.643 1.00 0.00 ATOM 158 CE2 TYR 19 32.722 24.616 16.427 1.00 0.00 ATOM 159 CZ TYR 19 31.566 24.830 15.678 1.00 0.00 ATOM 160 OH TYR 19 31.007 23.793 14.968 1.00 0.00 ATOM 161 O TYR 19 33.453 30.373 19.879 1.00 0.00 ATOM 162 C TYR 19 33.755 29.188 19.998 1.00 0.00 ATOM 163 N ALA 20 34.811 28.760 20.656 1.00 0.00 ATOM 164 CA ALA 20 35.690 29.720 21.310 1.00 0.00 ATOM 165 CB ALA 20 35.744 29.408 22.822 1.00 0.00 ATOM 166 O ALA 20 37.624 28.697 20.369 1.00 0.00 ATOM 167 C ALA 20 37.102 29.726 20.794 1.00 0.00 ATOM 168 N PHE 21 37.746 30.886 20.911 1.00 0.00 ATOM 169 CA PHE 21 39.171 31.028 20.623 1.00 0.00 ATOM 170 CB PHE 21 40.008 30.221 21.616 1.00 0.00 ATOM 171 CG PHE 21 39.827 30.644 23.046 1.00 0.00 ATOM 172 CD1 PHE 21 39.063 29.885 23.916 1.00 0.00 ATOM 173 CD2 PHE 21 40.421 31.801 23.521 1.00 0.00 ATOM 174 CE1 PHE 21 38.898 30.275 25.231 1.00 0.00 ATOM 175 CE2 PHE 21 40.255 32.190 24.836 1.00 0.00 ATOM 176 CZ PHE 21 39.496 31.432 25.691 1.00 0.00 ATOM 177 O PHE 21 38.747 30.869 18.269 1.00 0.00 ATOM 178 C PHE 21 39.469 30.509 19.208 1.00 0.00 ATOM 179 N PRO 22 40.514 29.691 19.029 1.00 0.00 ATOM 180 CA PRO 22 40.898 29.357 17.642 1.00 0.00 ATOM 181 CB PRO 22 42.212 28.645 17.741 1.00 0.00 ATOM 182 CG PRO 22 42.181 28.014 19.088 1.00 0.00 ATOM 183 CD PRO 22 41.472 29.018 19.957 1.00 0.00 ATOM 184 O PRO 22 39.841 28.521 15.681 1.00 0.00 ATOM 185 C PRO 22 39.846 28.557 16.909 1.00 0.00 ATOM 186 N GLU 23 38.923 27.935 17.644 1.00 0.00 ATOM 187 CA GLU 23 37.881 27.131 17.006 1.00 0.00 ATOM 188 CB GLU 23 37.342 26.082 17.982 1.00 0.00 ATOM 189 CG GLU 23 38.361 25.029 18.387 1.00 0.00 ATOM 190 CD GLU 23 38.927 24.282 17.201 1.00 0.00 ATOM 191 OE1 GLU 23 38.134 23.741 16.399 1.00 0.00 ATOM 192 OE2 GLU 23 40.168 24.237 17.071 1.00 0.00 ATOM 193 O GLU 23 35.714 27.422 16.021 1.00 0.00 ATOM 194 C GLU 23 36.677 27.959 16.571 1.00 0.00 ATOM 195 N ARG 24 36.745 29.264 16.811 1.00 0.00 ATOM 196 CA ARG 24 35.653 30.179 16.481 1.00 0.00 ATOM 197 CB ARG 24 35.809 31.512 17.222 1.00 0.00 ATOM 198 CG ARG 24 35.586 31.495 18.707 1.00 0.00 ATOM 199 CD ARG 24 35.813 32.902 19.258 1.00 0.00 ATOM 200 NE ARG 24 37.232 33.259 19.284 1.00 0.00 ATOM 201 CZ ARG 24 37.706 34.500 19.185 1.00 0.00 ATOM 202 NH1 ARG 24 36.884 35.529 19.047 1.00 0.00 ATOM 203 NH2 ARG 24 39.011 34.713 19.243 1.00 0.00 ATOM 204 O ARG 24 36.568 30.903 14.378 1.00 0.00 ATOM 205 C ARG 24 35.562 30.644 15.036 1.00 0.00 ATOM 206 N TYR 25 34.327 30.767 14.558 1.00 0.00 ATOM 207 CA TYR 25 34.077 31.309 13.235 1.00 0.00 ATOM 208 CB TYR 25 32.840 30.664 12.629 1.00 0.00 ATOM 209 CG TYR 25 33.153 29.370 11.943 1.00 0.00 ATOM 210 CD1 TYR 25 33.021 28.146 12.622 1.00 0.00 ATOM 211 CD2 TYR 25 33.643 29.361 10.633 1.00 0.00 ATOM 212 CE1 TYR 25 33.388 26.940 12.012 1.00 0.00 ATOM 213 CE2 TYR 25 34.011 28.178 10.019 1.00 0.00 ATOM 214 CZ TYR 25 33.889 26.973 10.709 1.00 0.00 ATOM 215 OH TYR 25 34.326 25.810 10.106 1.00 0.00 ATOM 216 O TYR 25 33.191 33.202 14.438 1.00 0.00 ATOM 217 C TYR 25 33.811 32.801 13.441 1.00 0.00 ATOM 218 N TYR 26 31.251 32.159 14.852 1.00 0.00 ATOM 219 CA TYR 26 31.365 32.165 16.294 1.00 0.00 ATOM 220 CB TYR 26 31.079 33.562 16.849 1.00 0.00 ATOM 221 CG TYR 26 32.173 34.567 16.568 1.00 0.00 ATOM 222 CD1 TYR 26 32.027 35.516 15.564 1.00 0.00 ATOM 223 CD2 TYR 26 33.349 34.563 17.307 1.00 0.00 ATOM 224 CE1 TYR 26 33.021 36.439 15.302 1.00 0.00 ATOM 225 CE2 TYR 26 34.355 35.479 17.056 1.00 0.00 ATOM 226 CZ TYR 26 34.182 36.421 16.044 1.00 0.00 ATOM 227 OH TYR 26 35.173 37.338 15.783 1.00 0.00 ATOM 228 O TYR 26 30.629 30.600 17.958 1.00 0.00 ATOM 229 C TYR 26 30.380 31.179 16.902 1.00 0.00 ATOM 230 N LEU 27 29.267 30.943 16.207 1.00 0.00 ATOM 231 CA LEU 27 28.226 30.045 16.683 1.00 0.00 ATOM 232 CB LEU 27 27.291 30.789 17.638 1.00 0.00 ATOM 233 CG LEU 27 26.575 32.015 17.069 1.00 0.00 ATOM 234 CD1 LEU 27 25.294 31.608 16.356 1.00 0.00 ATOM 235 CD2 LEU 27 26.212 32.989 18.180 1.00 0.00 ATOM 236 O LEU 27 27.418 30.156 14.439 1.00 0.00 ATOM 237 C LEU 27 27.433 29.542 15.512 1.00 0.00 ATOM 238 N LYS 28 26.762 28.413 15.707 1.00 0.00 ATOM 239 CA LYS 28 25.931 27.833 14.673 1.00 0.00 ATOM 240 CB LYS 28 26.800 27.001 13.729 1.00 0.00 ATOM 241 CG LYS 28 26.073 26.490 12.492 1.00 0.00 ATOM 242 CD LYS 28 25.676 27.637 11.578 1.00 0.00 ATOM 243 CE LYS 28 24.936 27.133 10.347 1.00 0.00 ATOM 244 NZ LYS 28 23.658 26.464 10.708 1.00 0.00 ATOM 245 O LYS 28 25.212 26.173 16.221 1.00 0.00 ATOM 246 C LYS 28 24.919 26.887 15.254 1.00 0.00 ATOM 247 N SER 29 23.726 26.892 14.694 1.00 0.00 ATOM 248 CA SER 29 22.689 25.959 15.057 1.00 0.00 ATOM 249 CB SER 29 21.313 26.556 14.756 1.00 0.00 ATOM 250 OG SER 29 20.283 25.617 15.014 1.00 0.00 ATOM 251 O SER 29 22.942 24.702 13.045 1.00 0.00 ATOM 252 C SER 29 22.841 24.682 14.291 1.00 0.00 ATOM 253 N PHE 30 22.811 23.557 14.984 1.00 0.00 ATOM 254 CA PHE 30 22.951 22.271 14.344 1.00 0.00 ATOM 255 CB PHE 30 24.258 21.597 14.732 1.00 0.00 ATOM 256 CG PHE 30 25.443 22.173 14.024 1.00 0.00 ATOM 257 CD1 PHE 30 26.137 23.248 14.565 1.00 0.00 ATOM 258 CD2 PHE 30 25.858 21.648 12.805 1.00 0.00 ATOM 259 CE1 PHE 30 27.233 23.792 13.904 1.00 0.00 ATOM 260 CE2 PHE 30 26.949 22.185 12.134 1.00 0.00 ATOM 261 CZ PHE 30 27.641 23.261 12.687 1.00 0.00 ATOM 262 O PHE 30 21.393 21.188 15.841 1.00 0.00 ATOM 263 C PHE 30 21.722 21.435 14.665 1.00 0.00 ATOM 264 N GLN 31 21.020 21.025 13.621 1.00 0.00 ATOM 265 CA GLN 31 19.866 20.145 13.744 1.00 0.00 ATOM 266 CB GLN 31 18.959 20.240 12.544 1.00 0.00 ATOM 267 CG GLN 31 17.806 19.262 12.632 1.00 0.00 ATOM 268 CD GLN 31 16.815 19.435 11.508 1.00 0.00 ATOM 269 OE1 GLN 31 15.877 20.243 11.603 1.00 0.00 ATOM 270 NE2 GLN 31 16.994 18.681 10.457 1.00 0.00 ATOM 271 O GLN 31 21.113 18.330 12.781 1.00 0.00 ATOM 272 C GLN 31 20.351 18.705 13.689 1.00 0.00 ATOM 273 N VAL 32 19.975 17.905 14.683 1.00 0.00 ATOM 274 CA VAL 32 20.416 16.528 14.801 1.00 0.00 ATOM 275 CB VAL 32 21.436 16.391 15.961 1.00 0.00 ATOM 276 CG1 VAL 32 22.635 17.294 15.706 1.00 0.00 ATOM 277 CG2 VAL 32 20.767 16.736 17.284 1.00 0.00 ATOM 278 O VAL 32 18.153 16.043 15.324 1.00 0.00 ATOM 279 C VAL 32 19.207 15.615 14.878 1.00 0.00 ATOM 280 N ASP 33 19.332 14.358 14.440 1.00 0.00 ATOM 281 CA ASP 33 18.219 13.418 14.540 1.00 0.00 ATOM 282 CB ASP 33 18.569 12.097 13.849 1.00 0.00 ATOM 283 CG ASP 33 18.591 12.220 12.337 1.00 0.00 ATOM 284 OD1 ASP 33 18.139 13.262 11.819 1.00 0.00 ATOM 285 OD2 ASP 33 19.061 11.272 11.673 1.00 0.00 ATOM 286 O ASP 33 18.597 13.210 16.890 1.00 0.00 ATOM 287 C ASP 33 17.801 13.081 15.970 1.00 0.00 ATOM 288 N GLU 34 16.597 12.679 16.140 1.00 0.00 ATOM 289 CA GLU 34 16.112 12.197 17.429 1.00 0.00 ATOM 290 CB GLU 34 14.782 11.466 17.232 1.00 0.00 ATOM 291 CG GLU 34 14.176 10.924 18.516 1.00 0.00 ATOM 292 CD GLU 34 12.859 10.213 18.284 1.00 0.00 ATOM 293 OE1 GLU 34 12.369 10.230 17.134 1.00 0.00 ATOM 294 OE2 GLU 34 12.316 9.636 19.249 1.00 0.00 ATOM 295 O GLU 34 17.384 10.151 17.459 1.00 0.00 ATOM 296 C GLU 34 17.047 11.153 18.065 1.00 0.00 ATOM 297 N GLY 35 17.383 11.337 19.290 1.00 0.00 ATOM 298 CA GLY 35 18.247 10.470 20.071 1.00 0.00 ATOM 299 O GLY 35 20.586 10.121 20.501 1.00 0.00 ATOM 300 C GLY 35 19.715 10.848 19.993 1.00 0.00 ATOM 301 N ILE 36 20.014 11.977 19.365 1.00 0.00 ATOM 302 CA ILE 36 21.401 12.370 19.204 1.00 0.00 ATOM 303 CB ILE 36 21.524 13.721 18.474 1.00 0.00 ATOM 304 CG1 ILE 36 20.983 13.608 17.047 1.00 0.00 ATOM 305 CG2 ILE 36 22.979 14.159 18.405 1.00 0.00 ATOM 306 CD1 ILE 36 21.797 12.694 16.157 1.00 0.00 ATOM 307 O ILE 36 21.541 13.068 21.492 1.00 0.00 ATOM 308 C ILE 36 22.100 12.533 20.519 1.00 0.00 ATOM 309 N THR 37 23.357 12.092 20.521 1.00 0.00 ATOM 310 CA THR 37 24.233 12.184 21.672 1.00 0.00 ATOM 311 CB THR 37 24.863 10.811 22.039 1.00 0.00 ATOM 312 CG2 THR 37 23.779 9.782 22.360 1.00 0.00 ATOM 313 OG1 THR 37 25.641 10.337 20.936 1.00 0.00 ATOM 314 O THR 37 25.550 13.605 20.256 1.00 0.00 ATOM 315 C THR 37 25.392 13.133 21.380 1.00 0.00 ATOM 316 N VAL 38 26.236 13.398 22.372 1.00 0.00 ATOM 317 CA VAL 38 27.367 14.296 22.196 1.00 0.00 ATOM 318 CB VAL 38 28.201 14.403 23.486 1.00 0.00 ATOM 319 CG1 VAL 38 29.519 15.111 23.210 1.00 0.00 ATOM 320 CG2 VAL 38 27.445 15.192 24.544 1.00 0.00 ATOM 321 O VAL 38 28.720 14.553 20.217 1.00 0.00 ATOM 322 C VAL 38 28.273 13.781 21.075 1.00 0.00 ATOM 323 N GLN 39 28.549 12.458 21.081 1.00 0.00 ATOM 324 CA GLN 39 29.450 11.892 20.071 1.00 0.00 ATOM 325 CB GLN 39 29.623 10.383 20.259 1.00 0.00 ATOM 326 CG GLN 39 30.659 9.758 19.339 1.00 0.00 ATOM 327 CD GLN 39 32.054 10.301 19.578 1.00 0.00 ATOM 328 OE1 GLN 39 32.493 10.431 20.720 1.00 0.00 ATOM 329 NE2 GLN 39 32.757 10.620 18.496 1.00 0.00 ATOM 330 O GLN 39 29.694 12.368 17.704 1.00 0.00 ATOM 331 C GLN 39 28.909 12.140 18.639 1.00 0.00 ATOM 332 N THR 40 27.581 12.092 18.473 1.00 0.00 ATOM 333 CA THR 40 26.981 12.330 17.142 1.00 0.00 ATOM 334 CB THR 40 25.491 11.949 17.179 1.00 0.00 ATOM 335 CG2 THR 40 24.838 12.136 15.808 1.00 0.00 ATOM 336 OG1 THR 40 25.342 10.554 17.483 1.00 0.00 ATOM 337 O THR 40 27.519 14.063 15.587 1.00 0.00 ATOM 338 C THR 40 27.206 13.786 16.758 1.00 0.00 ATOM 339 N ALA 41 27.054 14.677 17.716 1.00 0.00 ATOM 340 CA ALA 41 27.299 16.085 17.397 1.00 0.00 ATOM 341 CB ALA 41 27.016 16.938 18.624 1.00 0.00 ATOM 342 O ALA 41 29.005 17.108 16.042 1.00 0.00 ATOM 343 C ALA 41 28.755 16.343 16.992 1.00 0.00 ATOM 344 N ILE 42 29.701 15.679 17.657 1.00 0.00 ATOM 345 CA ILE 42 31.105 15.824 17.291 1.00 0.00 ATOM 346 CB ILE 42 31.999 15.071 18.311 1.00 0.00 ATOM 347 CG1 ILE 42 32.099 15.822 19.640 1.00 0.00 ATOM 348 CG2 ILE 42 33.405 14.825 17.734 1.00 0.00 ATOM 349 CD1 ILE 42 32.478 14.973 20.848 1.00 0.00 ATOM 350 O ILE 42 32.083 15.949 15.079 1.00 0.00 ATOM 351 C ILE 42 31.333 15.319 15.869 1.00 0.00 ATOM 352 N THR 43 30.691 14.197 15.499 1.00 0.00 ATOM 353 CA THR 43 30.831 13.728 14.115 1.00 0.00 ATOM 354 CB THR 43 30.118 12.380 13.901 1.00 0.00 ATOM 355 CG2 THR 43 30.223 11.946 12.448 1.00 0.00 ATOM 356 OG1 THR 43 30.724 11.379 14.728 1.00 0.00 ATOM 357 O THR 43 30.856 14.897 12.019 1.00 0.00 ATOM 358 C THR 43 30.276 14.711 13.095 1.00 0.00 ATOM 359 N GLN 44 29.156 15.322 13.448 1.00 0.00 ATOM 360 CA GLN 44 28.533 16.297 12.561 1.00 0.00 ATOM 361 CB GLN 44 27.133 16.734 13.049 1.00 0.00 ATOM 362 CG GLN 44 26.494 17.801 12.129 1.00 0.00 ATOM 363 CD GLN 44 25.116 18.257 12.570 1.00 0.00 ATOM 364 OE1 GLN 44 24.841 18.382 13.756 1.00 0.00 ATOM 365 NE2 GLN 44 24.250 18.533 11.608 1.00 0.00 ATOM 366 O GLN 44 29.649 17.936 11.222 1.00 0.00 ATOM 367 C GLN 44 29.463 17.482 12.347 1.00 0.00 ATOM 368 N SER 45 30.000 18.023 13.459 1.00 0.00 ATOM 369 CA SER 45 30.917 19.155 13.374 1.00 0.00 ATOM 370 CB SER 45 31.461 19.492 14.746 1.00 0.00 ATOM 371 OG SER 45 32.119 18.353 15.322 1.00 0.00 ATOM 372 O SER 45 32.847 19.458 11.917 1.00 0.00 ATOM 373 C SER 45 32.062 18.676 12.500 1.00 0.00 ATOM 374 N GLY 46 32.250 17.365 12.399 1.00 0.00 ATOM 375 CA GLY 46 33.392 16.921 11.559 1.00 0.00 ATOM 376 O GLY 46 34.287 17.395 9.393 1.00 0.00 ATOM 377 C GLY 46 33.274 17.294 10.092 1.00 0.00 ATOM 378 N ILE 47 32.009 17.494 9.524 1.00 0.00 ATOM 379 CA ILE 47 31.845 17.832 8.114 1.00 0.00 ATOM 380 CB ILE 47 30.355 17.791 7.826 1.00 0.00 ATOM 381 CG1 ILE 47 29.894 16.312 8.050 1.00 0.00 ATOM 382 CG2 ILE 47 29.916 18.341 6.420 1.00 0.00 ATOM 383 CD1 ILE 47 28.396 16.093 8.147 1.00 0.00 ATOM 384 O ILE 47 33.034 19.541 6.905 1.00 0.00 ATOM 385 C ILE 47 32.359 19.228 7.880 1.00 0.00 ATOM 386 N LEU 48 32.359 20.592 8.878 1.00 0.00 ATOM 387 CA LEU 48 33.552 21.432 8.892 1.00 0.00 ATOM 388 CB LEU 48 33.377 22.647 9.876 1.00 0.00 ATOM 389 CG LEU 48 31.971 23.133 10.160 1.00 0.00 ATOM 390 CD1 LEU 48 31.957 24.177 11.253 1.00 0.00 ATOM 391 CD2 LEU 48 31.306 23.739 8.911 1.00 0.00 ATOM 392 O LEU 48 35.057 19.889 9.933 1.00 0.00 ATOM 393 C LEU 48 34.742 20.467 8.884 1.00 0.00 ATOM 394 N SER 49 35.275 20.212 7.739 1.00 0.00 ATOM 395 CA SER 49 36.295 19.169 7.617 1.00 0.00 ATOM 396 CB SER 49 36.480 18.826 6.078 1.00 0.00 ATOM 397 OG SER 49 37.226 19.847 5.438 1.00 0.00 ATOM 398 O SER 49 38.510 18.599 8.393 1.00 0.00 ATOM 399 C SER 49 37.628 19.477 8.283 1.00 0.00 ATOM 400 N GLN 50 37.858 20.758 8.666 1.00 0.00 ATOM 401 CA GLN 50 39.072 21.096 9.410 1.00 0.00 ATOM 402 CB GLN 50 39.229 22.615 9.511 1.00 0.00 ATOM 403 CG GLN 50 39.584 23.291 8.196 1.00 0.00 ATOM 404 CD GLN 50 39.693 24.797 8.328 1.00 0.00 ATOM 405 OE1 GLN 50 39.547 25.347 9.419 1.00 0.00 ATOM 406 NE2 GLN 50 39.951 25.470 7.212 1.00 0.00 ATOM 407 O GLN 50 40.096 19.975 11.238 1.00 0.00 ATOM 408 C GLN 50 39.041 20.359 10.764 1.00 0.00 ATOM 409 N PHE 51 37.848 20.208 11.333 1.00 0.00 ATOM 410 CA PHE 51 37.753 19.574 12.672 1.00 0.00 ATOM 411 CB PHE 51 36.328 19.707 13.214 1.00 0.00 ATOM 412 CG PHE 51 35.910 21.125 13.482 1.00 0.00 ATOM 413 CD1 PHE 51 36.854 22.132 13.583 1.00 0.00 ATOM 414 CD2 PHE 51 34.574 21.452 13.633 1.00 0.00 ATOM 415 CE1 PHE 51 36.470 23.436 13.831 1.00 0.00 ATOM 416 CE2 PHE 51 34.190 22.757 13.879 1.00 0.00 ATOM 417 CZ PHE 51 35.132 23.747 13.978 1.00 0.00 ATOM 418 O PHE 51 38.336 17.534 13.796 1.00 0.00 ATOM 419 C PHE 51 38.116 18.091 12.713 1.00 0.00 ATOM 420 N PRO 52 38.188 17.419 11.496 1.00 0.00 ATOM 421 CA PRO 52 38.495 15.982 11.485 1.00 0.00 ATOM 422 CB PRO 52 38.282 15.535 10.004 1.00 0.00 ATOM 423 CG PRO 52 37.204 16.509 9.530 1.00 0.00 ATOM 424 CD PRO 52 37.359 17.811 10.366 1.00 0.00 ATOM 425 O PRO 52 40.114 14.649 12.682 1.00 0.00 ATOM 426 C PRO 52 39.880 15.713 12.095 1.00 0.00 ATOM 427 N GLU 53 40.806 16.659 11.978 1.00 0.00 ATOM 428 CA GLU 53 42.151 16.490 12.524 1.00 0.00 ATOM 429 CB GLU 53 43.182 17.479 11.759 1.00 0.00 ATOM 430 CG GLU 53 43.005 17.633 10.247 1.00 0.00 ATOM 431 CD GLU 53 43.727 16.562 9.436 1.00 0.00 ATOM 432 OE1 GLU 53 43.862 15.430 9.913 1.00 0.00 ATOM 433 OE2 GLU 53 44.104 16.841 8.283 1.00 0.00 ATOM 434 O GLU 53 43.401 16.909 14.566 1.00 0.00 ATOM 435 C GLU 53 42.298 16.968 13.986 1.00 0.00 ATOM 436 N ILE 54 41.216 17.493 14.555 1.00 0.00 ATOM 437 CA ILE 54 41.223 18.011 15.915 1.00 0.00 ATOM 438 CB ILE 54 40.301 19.236 16.058 1.00 0.00 ATOM 439 CG1 ILE 54 40.785 20.376 15.161 1.00 0.00 ATOM 440 CG2 ILE 54 40.287 19.728 17.498 1.00 0.00 ATOM 441 CD1 ILE 54 39.810 21.529 15.059 1.00 0.00 ATOM 442 O ILE 54 39.718 16.289 16.649 1.00 0.00 ATOM 443 C ILE 54 40.745 16.933 16.874 1.00 0.00 ATOM 444 N ASP 55 41.462 16.754 17.971 1.00 0.00 ATOM 445 CA ASP 55 41.098 15.726 18.944 1.00 0.00 ATOM 446 CB ASP 55 42.349 15.337 19.692 1.00 0.00 ATOM 447 CG ASP 55 42.044 14.251 20.709 1.00 0.00 ATOM 448 OD1 ASP 55 40.944 13.659 20.694 1.00 0.00 ATOM 449 OD2 ASP 55 42.889 13.935 21.580 1.00 0.00 ATOM 450 O ASP 55 40.503 16.899 20.961 1.00 0.00 ATOM 451 C ASP 55 40.109 16.329 19.936 1.00 0.00 ATOM 452 N LEU 56 38.825 16.180 19.631 1.00 0.00 ATOM 453 CA LEU 56 37.766 16.742 20.457 1.00 0.00 ATOM 454 CB LEU 56 36.382 16.443 19.840 1.00 0.00 ATOM 455 CG LEU 56 35.993 17.133 18.524 1.00 0.00 ATOM 456 CD1 LEU 56 36.229 18.633 18.638 1.00 0.00 ATOM 457 CD2 LEU 56 36.806 16.568 17.376 1.00 0.00 ATOM 458 O LEU 56 36.880 16.693 22.676 1.00 0.00 ATOM 459 C LEU 56 37.675 16.195 21.876 1.00 0.00 ATOM 460 N SER 57 38.314 15.055 22.129 1.00 0.00 ATOM 461 CA SER 57 38.277 14.455 23.455 1.00 0.00 ATOM 462 CB SER 57 38.762 13.002 23.415 1.00 0.00 ATOM 463 OG SER 57 40.160 12.945 23.194 1.00 0.00 ATOM 464 O SER 57 38.932 15.234 25.619 1.00 0.00 ATOM 465 C SER 57 39.148 15.263 24.410 1.00 0.00 ATOM 466 N THR 58 40.179 15.915 23.885 1.00 0.00 ATOM 467 CA THR 58 41.059 16.702 24.733 1.00 0.00 ATOM 468 CB THR 58 42.514 16.296 24.533 1.00 0.00 ATOM 469 CG2 THR 58 42.693 14.826 24.863 1.00 0.00 ATOM 470 OG1 THR 58 42.898 16.536 23.172 1.00 0.00 ATOM 471 O THR 58 41.717 18.993 25.012 1.00 0.00 ATOM 472 C THR 58 40.933 18.202 24.487 1.00 0.00 ATOM 473 N ASN 59 40.384 19.748 21.917 1.00 0.00 ATOM 474 CA ASN 59 39.071 20.344 22.079 1.00 0.00 ATOM 475 CB ASN 59 38.317 20.393 20.715 1.00 0.00 ATOM 476 CG ASN 59 37.430 21.634 20.550 1.00 0.00 ATOM 477 ND2 ASN 59 37.260 21.995 19.261 1.00 0.00 ATOM 478 OD1 ASN 59 36.865 22.248 21.555 1.00 0.00 ATOM 479 O ASN 59 38.421 18.498 23.428 1.00 0.00 ATOM 480 C ASN 59 38.407 19.718 23.287 1.00 0.00 ATOM 481 N LYS 60 37.752 20.551 24.091 1.00 0.00 ATOM 482 CA LYS 60 36.796 20.075 25.078 1.00 0.00 ATOM 483 CB LYS 60 37.244 20.475 26.485 1.00 0.00 ATOM 484 CG LYS 60 38.535 19.811 26.937 1.00 0.00 ATOM 485 CD LYS 60 38.912 20.240 28.345 1.00 0.00 ATOM 486 CE LYS 60 40.190 19.555 28.807 1.00 0.00 ATOM 487 NZ LYS 60 40.561 19.951 30.193 1.00 0.00 ATOM 488 O LYS 60 35.349 21.624 23.946 1.00 0.00 ATOM 489 C LYS 60 35.451 20.671 24.745 1.00 0.00 ATOM 490 N ILE 61 34.403 20.061 25.290 1.00 0.00 ATOM 491 CA ILE 61 33.039 20.574 25.057 1.00 0.00 ATOM 492 CB ILE 61 32.176 19.675 24.153 1.00 0.00 ATOM 493 CG1 ILE 61 32.180 18.239 24.669 1.00 0.00 ATOM 494 CG2 ILE 61 32.703 19.699 22.699 1.00 0.00 ATOM 495 CD1 ILE 61 31.125 17.377 24.006 1.00 0.00 ATOM 496 O ILE 61 32.675 20.006 27.358 1.00 0.00 ATOM 497 C ILE 61 32.295 20.659 26.367 1.00 0.00 ATOM 498 N GLY 62 31.300 21.523 26.423 1.00 0.00 ATOM 499 CA GLY 62 30.422 21.601 27.577 1.00 0.00 ATOM 500 O GLY 62 28.762 22.423 26.083 1.00 0.00 ATOM 501 C GLY 62 29.012 21.698 27.044 1.00 0.00 ATOM 502 N ILE 63 28.070 21.162 27.804 1.00 0.00 ATOM 503 CA ILE 63 26.665 21.269 27.468 1.00 0.00 ATOM 504 CB ILE 63 25.999 19.910 27.196 1.00 0.00 ATOM 505 CG1 ILE 63 26.680 19.216 26.007 1.00 0.00 ATOM 506 CG2 ILE 63 24.507 19.982 26.929 1.00 0.00 ATOM 507 CD1 ILE 63 26.293 17.742 25.844 1.00 0.00 ATOM 508 O ILE 63 26.008 21.505 29.811 1.00 0.00 ATOM 509 C ILE 63 25.989 21.958 28.658 1.00 0.00 ATOM 510 N PHE 64 25.405 23.237 28.188 1.00 0.00 ATOM 511 CA PHE 64 24.826 24.153 29.158 1.00 0.00 ATOM 512 CB PHE 64 23.170 23.809 28.997 1.00 0.00 ATOM 513 CG PHE 64 22.887 22.790 30.070 1.00 0.00 ATOM 514 CD1 PHE 64 22.545 23.195 31.359 1.00 0.00 ATOM 515 CD2 PHE 64 22.971 21.431 29.792 1.00 0.00 ATOM 516 CE1 PHE 64 22.289 22.252 32.356 1.00 0.00 ATOM 517 CE2 PHE 64 22.719 20.483 30.784 1.00 0.00 ATOM 518 CZ PHE 64 22.377 20.898 32.067 1.00 0.00 ATOM 519 O PHE 64 25.354 24.418 31.516 1.00 0.00 ATOM 520 C PHE 64 25.773 24.395 30.343 1.00 0.00 ATOM 521 N SER 65 27.048 24.580 30.028 1.00 0.00 ATOM 522 CA SER 65 28.033 24.937 31.027 1.00 0.00 ATOM 523 CB SER 65 27.429 25.892 32.057 1.00 0.00 ATOM 524 OG SER 65 26.959 27.078 31.442 1.00 0.00 ATOM 525 O SER 65 29.324 24.029 32.770 1.00 0.00 ATOM 526 C SER 65 28.604 23.778 31.804 1.00 0.00 ATOM 527 N ARG 66 28.291 22.535 31.425 1.00 0.00 ATOM 528 CA ARG 66 28.738 21.364 32.191 1.00 0.00 ATOM 529 CB ARG 66 27.566 20.586 32.849 1.00 0.00 ATOM 530 CG ARG 66 26.714 21.450 33.764 1.00 0.00 ATOM 531 CD ARG 66 27.343 21.430 35.275 1.00 0.00 ATOM 532 NE ARG 66 26.475 22.310 36.032 1.00 0.00 ATOM 533 CZ ARG 66 26.621 23.618 36.175 1.00 0.00 ATOM 534 NH1 ARG 66 27.679 24.301 35.692 1.00 0.00 ATOM 535 NH2 ARG 66 25.568 24.318 36.642 1.00 0.00 ATOM 536 O ARG 66 29.178 20.102 30.213 1.00 0.00 ATOM 537 C ARG 66 29.531 20.370 31.366 1.00 0.00 ATOM 538 N PRO 67 30.608 19.831 31.913 1.00 0.00 ATOM 539 CA PRO 67 31.294 18.721 31.276 1.00 0.00 ATOM 540 CB PRO 67 32.600 18.587 32.073 1.00 0.00 ATOM 541 CG PRO 67 32.228 19.104 33.426 1.00 0.00 ATOM 542 CD PRO 67 31.315 20.288 33.132 1.00 0.00 ATOM 543 O PRO 67 29.763 17.246 32.416 1.00 0.00 ATOM 544 C PRO 67 30.356 17.523 31.364 1.00 0.00 ATOM 545 N ILE 68 30.315 16.756 30.276 1.00 0.00 ATOM 546 CA ILE 68 29.486 15.566 30.198 1.00 0.00 ATOM 547 CB ILE 68 28.081 15.915 29.577 1.00 0.00 ATOM 548 CG1 ILE 68 28.267 16.678 28.258 1.00 0.00 ATOM 549 CG2 ILE 68 27.282 16.780 30.543 1.00 0.00 ATOM 550 CD1 ILE 68 28.800 15.855 27.115 1.00 0.00 ATOM 551 O ILE 68 31.213 14.672 28.764 1.00 0.00 ATOM 552 C ILE 68 30.180 14.455 29.415 1.00 0.00 ATOM 553 N LYS 69 29.581 13.262 29.459 1.00 0.00 ATOM 554 CA LYS 69 30.121 12.136 28.724 1.00 0.00 ATOM 555 CB LYS 69 29.558 10.822 29.271 1.00 0.00 ATOM 556 CG LYS 69 30.028 10.483 30.677 1.00 0.00 ATOM 557 CD LYS 69 29.412 9.183 31.166 1.00 0.00 ATOM 558 CE LYS 69 29.900 8.831 32.561 1.00 0.00 ATOM 559 NZ LYS 69 29.284 7.573 33.065 1.00 0.00 ATOM 560 O LYS 69 28.852 12.958 26.821 1.00 0.00 ATOM 561 C LYS 69 29.769 12.219 27.229 1.00 0.00 ATOM 562 N LEU 70 30.474 11.436 26.420 1.00 0.00 ATOM 563 CA LEU 70 30.147 11.399 24.992 1.00 0.00 ATOM 564 CB LEU 70 31.191 10.586 24.223 1.00 0.00 ATOM 565 CG LEU 70 32.604 11.172 24.172 1.00 0.00 ATOM 566 CD1 LEU 70 33.561 10.209 23.486 1.00 0.00 ATOM 567 CD2 LEU 70 32.613 12.482 23.399 1.00 0.00 ATOM 568 O LEU 70 28.170 11.072 23.717 1.00 0.00 ATOM 569 C LEU 70 28.783 10.796 24.730 1.00 0.00 ATOM 570 N THR 71 28.286 9.973 25.644 1.00 0.00 ATOM 571 CA THR 71 26.986 9.361 25.446 1.00 0.00 ATOM 572 CB THR 71 26.948 7.945 26.053 1.00 0.00 ATOM 573 CG2 THR 71 28.005 7.061 25.409 1.00 0.00 ATOM 574 OG1 THR 71 27.200 8.019 27.461 1.00 0.00 ATOM 575 O THR 71 24.696 9.658 26.053 1.00 0.00 ATOM 576 C THR 71 25.814 10.154 26.016 1.00 0.00 ATOM 577 N ASP 72 26.125 11.338 26.533 1.00 0.00 ATOM 578 CA ASP 72 25.082 12.188 27.106 1.00 0.00 ATOM 579 CB ASP 72 25.688 13.449 27.645 1.00 0.00 ATOM 580 CG ASP 72 24.769 14.167 28.587 1.00 0.00 ATOM 581 OD1 ASP 72 23.721 14.696 28.134 1.00 0.00 ATOM 582 OD2 ASP 72 25.026 14.282 29.809 1.00 0.00 ATOM 583 O ASP 72 24.497 12.981 24.917 1.00 0.00 ATOM 584 C ASP 72 24.089 12.535 26.003 1.00 0.00 ATOM 585 N VAL 73 22.809 12.354 26.288 1.00 0.00 ATOM 586 CA VAL 73 21.762 12.624 25.324 1.00 0.00 ATOM 587 CB VAL 73 20.447 11.920 25.710 1.00 0.00 ATOM 588 CG1 VAL 73 19.340 12.287 24.733 1.00 0.00 ATOM 589 CG2 VAL 73 20.627 10.410 25.688 1.00 0.00 ATOM 590 O VAL 73 21.313 14.783 26.283 1.00 0.00 ATOM 591 C VAL 73 21.499 14.129 25.253 1.00 0.00 ATOM 592 N LEU 74 21.528 14.672 24.034 1.00 0.00 ATOM 593 CA LEU 74 21.226 16.088 23.823 1.00 0.00 ATOM 594 CB LEU 74 21.795 16.565 22.486 1.00 0.00 ATOM 595 CG LEU 74 23.315 16.501 22.335 1.00 0.00 ATOM 596 CD1 LEU 74 23.734 16.905 20.930 1.00 0.00 ATOM 597 CD2 LEU 74 23.994 17.438 23.322 1.00 0.00 ATOM 598 O LEU 74 18.924 15.574 23.369 1.00 0.00 ATOM 599 C LEU 74 19.738 16.391 23.808 1.00 0.00 ATOM 600 N LYS 75 19.364 17.555 24.327 1.00 0.00 ATOM 601 CA LYS 75 17.974 17.983 24.379 1.00 0.00 ATOM 602 CB LYS 75 17.327 17.539 25.660 1.00 0.00 ATOM 603 CG LYS 75 17.287 16.008 25.831 1.00 0.00 ATOM 604 CD LYS 75 16.733 15.660 27.191 1.00 0.00 ATOM 605 CE LYS 75 16.396 14.154 27.357 1.00 0.00 ATOM 606 NZ LYS 75 16.065 13.856 28.789 1.00 0.00 ATOM 607 O LYS 75 18.774 19.975 23.308 1.00 0.00 ATOM 608 C LYS 75 17.809 19.209 23.519 1.00 0.00 ATOM 609 N GLU 76 16.588 19.388 22.994 1.00 0.00 ATOM 610 CA GLU 76 16.298 20.520 22.148 1.00 0.00 ATOM 611 CB GLU 76 14.824 20.516 21.737 1.00 0.00 ATOM 612 CG GLU 76 14.449 21.623 20.766 1.00 0.00 ATOM 613 CD GLU 76 12.994 21.556 20.340 1.00 0.00 ATOM 614 OE1 GLU 76 12.288 20.625 20.782 1.00 0.00 ATOM 615 OE2 GLU 76 12.561 22.434 19.564 1.00 0.00 ATOM 616 O GLU 76 16.228 21.991 24.081 1.00 0.00 ATOM 617 C GLU 76 16.615 21.825 22.916 1.00 0.00 ATOM 618 N GLY 77 17.381 22.708 22.296 1.00 0.00 ATOM 619 CA GLY 77 17.749 23.964 22.904 1.00 0.00 ATOM 620 O GLY 77 19.494 24.980 24.177 1.00 0.00 ATOM 621 C GLY 77 19.063 23.944 23.690 1.00 0.00 ATOM 622 N ASP 78 19.702 22.782 23.825 1.00 0.00 ATOM 623 CA ASP 78 20.973 22.741 24.559 1.00 0.00 ATOM 624 CB ASP 78 21.524 21.315 24.597 1.00 0.00 ATOM 625 CG ASP 78 20.744 20.412 25.531 1.00 0.00 ATOM 626 OD1 ASP 78 19.895 20.931 26.288 1.00 0.00 ATOM 627 OD2 ASP 78 20.979 19.186 25.508 1.00 0.00 ATOM 628 O ASP 78 22.020 23.764 22.646 1.00 0.00 ATOM 629 C ASP 78 22.003 23.637 23.891 1.00 0.00 ATOM 630 N ARG 79 22.880 24.221 24.693 1.00 0.00 ATOM 631 CA ARG 79 23.972 25.056 24.201 1.00 0.00 ATOM 632 CB ARG 79 24.001 26.392 24.947 1.00 0.00 ATOM 633 CG ARG 79 25.044 27.368 24.430 1.00 0.00 ATOM 634 CD ARG 79 24.971 28.695 25.166 1.00 0.00 ATOM 635 NE ARG 79 25.946 29.658 24.659 1.00 0.00 ATOM 636 CZ ARG 79 26.180 30.845 25.207 1.00 0.00 ATOM 637 NH1 ARG 79 27.086 31.654 24.676 1.00 0.00 ATOM 638 NH2 ARG 79 25.508 31.221 26.287 1.00 0.00 ATOM 639 O ARG 79 25.556 23.874 25.539 1.00 0.00 ATOM 640 C ARG 79 25.277 24.320 24.430 1.00 0.00 ATOM 641 N ILE 80 26.035 24.081 23.368 1.00 0.00 ATOM 642 CA ILE 80 27.256 23.301 23.464 1.00 0.00 ATOM 643 CB ILE 80 27.237 22.102 22.499 1.00 0.00 ATOM 644 CG1 ILE 80 26.066 21.173 22.825 1.00 0.00 ATOM 645 CG2 ILE 80 28.529 21.307 22.613 1.00 0.00 ATOM 646 CD1 ILE 80 25.854 20.077 21.805 1.00 0.00 ATOM 647 O ILE 80 28.475 24.784 22.053 1.00 0.00 ATOM 648 C ILE 80 28.431 24.191 23.142 1.00 0.00 ATOM 649 N GLU 81 29.392 24.308 24.058 1.00 0.00 ATOM 650 CA GLU 81 30.593 25.076 23.808 1.00 0.00 ATOM 651 CB GLU 81 31.103 25.735 25.091 1.00 0.00 ATOM 652 CG GLU 81 30.156 26.769 25.677 1.00 0.00 ATOM 653 CD GLU 81 30.698 27.407 26.939 1.00 0.00 ATOM 654 OE1 GLU 81 31.802 27.017 27.376 1.00 0.00 ATOM 655 OE2 GLU 81 30.020 28.298 27.494 1.00 0.00 ATOM 656 O GLU 81 31.995 23.128 23.860 1.00 0.00 ATOM 657 C GLU 81 31.742 24.200 23.312 1.00 0.00 ATOM 658 N ILE 82 32.422 24.655 22.277 1.00 0.00 ATOM 659 CA ILE 82 33.567 23.934 21.718 1.00 0.00 ATOM 660 CB ILE 82 33.275 23.683 20.226 1.00 0.00 ATOM 661 CG1 ILE 82 32.000 22.853 20.065 1.00 0.00 ATOM 662 CG2 ILE 82 34.426 22.931 19.576 1.00 0.00 ATOM 663 CD1 ILE 82 31.554 22.693 18.629 1.00 0.00 ATOM 664 O ILE 82 34.926 25.835 21.201 1.00 0.00 ATOM 665 C ILE 82 34.798 24.801 21.864 1.00 0.00 ATOM 666 N TYR 83 35.768 24.308 22.735 1.00 0.00 ATOM 667 CA TYR 83 36.780 25.298 23.109 1.00 0.00 ATOM 668 CB TYR 83 36.289 26.153 24.279 1.00 0.00 ATOM 669 CG TYR 83 36.060 25.372 25.554 1.00 0.00 ATOM 670 CD1 TYR 83 37.074 25.231 26.494 1.00 0.00 ATOM 671 CD2 TYR 83 34.832 24.776 25.814 1.00 0.00 ATOM 672 CE1 TYR 83 36.875 24.520 27.661 1.00 0.00 ATOM 673 CE2 TYR 83 34.614 24.061 26.975 1.00 0.00 ATOM 674 CZ TYR 83 35.649 23.936 27.901 1.00 0.00 ATOM 675 OH TYR 83 35.448 23.228 29.063 1.00 0.00 ATOM 676 O TYR 83 37.960 23.413 24.015 1.00 0.00 ATOM 677 C TYR 83 38.021 24.578 23.610 1.00 0.00 ATOM 678 N ARG 84 39.049 25.377 23.551 1.00 0.00 ATOM 679 CA ARG 84 40.298 24.829 24.058 1.00 0.00 ATOM 680 CB ARG 84 41.011 23.968 22.990 1.00 0.00 ATOM 681 CG ARG 84 41.712 24.746 21.873 1.00 0.00 ATOM 682 CD ARG 84 42.829 23.871 21.269 1.00 0.00 ATOM 683 NE ARG 84 43.391 24.368 20.009 1.00 0.00 ATOM 684 CZ ARG 84 44.242 25.389 19.892 1.00 0.00 ATOM 685 NH1 ARG 84 44.653 26.061 20.959 1.00 0.00 ATOM 686 NH2 ARG 84 44.708 25.720 18.693 1.00 0.00 ATOM 687 O ARG 84 41.130 27.063 24.018 1.00 0.00 ATOM 688 C ARG 84 41.245 25.950 24.494 1.00 0.00 ATOM 689 N PRO 85 42.199 25.671 25.399 1.00 0.00 ATOM 690 CA PRO 85 43.211 26.660 25.774 1.00 0.00 ATOM 691 CB PRO 85 44.115 25.891 26.745 1.00 0.00 ATOM 692 CG PRO 85 43.134 24.977 27.452 1.00 0.00 ATOM 693 CD PRO 85 42.259 24.472 26.296 1.00 0.00 ATOM 694 O PRO 85 44.255 26.219 23.628 1.00 0.00 ATOM 695 C PRO 85 44.099 27.006 24.565 1.00 0.00 ATOM 696 N LEU 86 44.570 28.215 24.487 1.00 0.00 ATOM 697 CA LEU 86 45.460 28.567 23.387 1.00 0.00 ATOM 698 CB LEU 86 45.928 30.024 23.490 1.00 0.00 ATOM 699 CG LEU 86 45.099 31.177 22.922 1.00 0.00 ATOM 700 CD1 LEU 86 45.824 32.479 23.216 1.00 0.00 ATOM 701 CD2 LEU 86 44.921 31.007 21.421 1.00 0.00 ATOM 702 O LEU 86 47.093 27.415 24.701 1.00 0.00 ATOM 703 C LEU 86 46.672 27.663 23.569 1.00 0.00 ATOM 704 N LEU 87 47.207 27.136 22.489 1.00 0.00 ATOM 705 CA LEU 87 48.383 26.268 22.554 1.00 0.00 ATOM 706 CB LEU 87 48.040 24.878 22.018 1.00 0.00 ATOM 707 CG LEU 87 47.157 24.021 22.932 1.00 0.00 ATOM 708 CD1 LEU 87 46.507 22.919 22.117 1.00 0.00 ATOM 709 CD2 LEU 87 47.988 23.433 24.067 1.00 0.00 ATOM 710 O LEU 87 49.299 27.576 20.763 1.00 0.00 ATOM 711 C LEU 87 49.529 26.875 21.749 1.00 0.00 ATOM 712 N ALA 88 50.754 26.562 22.160 1.00 0.00 ATOM 713 CA ALA 88 51.974 27.106 21.492 1.00 0.00 ATOM 714 CB ALA 88 53.171 26.926 22.405 1.00 0.00 ATOM 715 O ALA 88 52.614 27.217 19.183 1.00 0.00 ATOM 716 C ALA 88 52.189 26.514 20.103 1.00 0.00 ATOM 717 N ASP 89 51.851 25.241 19.909 1.00 0.00 ATOM 718 CA ASP 89 52.024 24.546 18.635 1.00 0.00 ATOM 719 CB ASP 89 53.342 23.716 18.689 1.00 0.00 ATOM 720 CG ASP 89 53.669 23.012 17.383 1.00 0.00 ATOM 721 OD1 ASP 89 52.782 22.859 16.516 1.00 0.00 ATOM 722 OD2 ASP 89 54.849 22.558 17.247 1.00 0.00 ATOM 723 O ASP 89 50.837 22.482 18.588 1.00 0.00 ATOM 724 C ASP 89 50.810 23.675 18.297 1.00 0.00 ATOM 725 N PRO 90 49.763 24.225 17.706 1.00 0.00 ATOM 726 CA PRO 90 48.477 23.516 17.554 1.00 0.00 ATOM 727 CB PRO 90 47.643 24.426 16.703 1.00 0.00 ATOM 728 CG PRO 90 48.107 25.756 17.108 1.00 0.00 ATOM 729 CD PRO 90 49.587 25.640 17.248 1.00 0.00 ATOM 730 O PRO 90 47.891 21.240 17.096 1.00 0.00 ATOM 731 C PRO 90 48.573 22.198 16.751 1.00 0.00 ATOM 732 N LYS 91 49.416 22.144 15.727 1.00 0.00 ATOM 733 CA LYS 91 49.559 20.939 14.896 1.00 0.00 ATOM 734 CB LYS 91 50.400 21.248 13.639 1.00 0.00 ATOM 735 CG LYS 91 49.748 22.212 12.663 1.00 0.00 ATOM 736 CD LYS 91 50.577 22.290 11.361 1.00 0.00 ATOM 737 CE LYS 91 49.848 23.091 10.269 1.00 0.00 ATOM 738 NZ LYS 91 50.568 23.100 8.950 1.00 0.00 ATOM 739 O LYS 91 49.755 18.636 15.582 1.00 0.00 ATOM 740 C LYS 91 50.223 19.777 15.659 1.00 0.00 ATOM 741 N GLU 92 51.279 20.095 16.401 1.00 0.00 ATOM 742 CA GLU 92 51.962 19.097 17.242 1.00 0.00 ATOM 743 CB GLU 92 53.237 19.597 17.836 1.00 0.00 ATOM 744 CG GLU 92 54.034 18.481 18.501 1.00 0.00 ATOM 745 CD GLU 92 55.380 18.933 19.028 1.00 0.00 ATOM 746 OE1 GLU 92 56.062 19.734 18.344 1.00 0.00 ATOM 747 OE2 GLU 92 55.758 18.469 20.126 1.00 0.00 ATOM 748 O GLU 92 50.913 17.457 18.654 1.00 0.00 ATOM 749 C GLU 92 51.003 18.640 18.338 1.00 0.00 ATOM 750 N ILE 93 50.246 19.609 18.938 1.00 0.00 ATOM 751 CA ILE 93 49.284 19.264 19.983 1.00 0.00 ATOM 752 CB ILE 93 48.679 20.489 20.647 1.00 0.00 ATOM 753 CG1 ILE 93 49.777 21.368 21.248 1.00 0.00 ATOM 754 CG2 ILE 93 47.675 20.069 21.715 1.00 0.00 ATOM 755 CD1 ILE 93 50.660 20.662 22.245 1.00 0.00 ATOM 756 O ILE 93 47.906 17.301 19.933 1.00 0.00 ATOM 757 C ILE 93 48.182 18.360 19.396 1.00 0.00 ATOM 758 N ARG 94 47.644 18.776 18.329 1.00 0.00 ATOM 759 CA ARG 94 46.588 17.918 17.705 1.00 0.00 ATOM 760 CB ARG 94 45.843 18.744 16.658 1.00 0.00 ATOM 761 CG ARG 94 45.046 19.890 17.214 1.00 0.00 ATOM 762 CD ARG 94 44.439 20.768 16.147 1.00 0.00 ATOM 763 NE ARG 94 43.919 21.997 16.720 1.00 0.00 ATOM 764 CZ ARG 94 43.333 22.938 16.023 1.00 0.00 ATOM 765 NH1 ARG 94 43.153 22.801 14.711 1.00 0.00 ATOM 766 NH2 ARG 94 42.908 24.035 16.647 1.00 0.00 ATOM 767 O ARG 94 46.636 15.585 17.188 1.00 0.00 ATOM 768 C ARG 94 47.246 16.672 17.141 1.00 0.00 ATOM 769 N ARG 95 48.440 16.783 16.577 1.00 0.00 ATOM 770 CA ARG 95 49.117 15.559 16.068 1.00 0.00 ATOM 771 CB ARG 95 50.476 15.936 15.452 1.00 0.00 ATOM 772 CG ARG 95 50.327 16.489 14.026 1.00 0.00 ATOM 773 CD ARG 95 51.585 17.261 13.620 1.00 0.00 ATOM 774 NE ARG 95 52.736 16.338 13.636 1.00 0.00 ATOM 775 CZ ARG 95 53.988 16.744 13.743 1.00 0.00 ATOM 776 NH1 ARG 95 54.275 18.029 13.807 1.00 0.00 ATOM 777 NH2 ARG 95 54.941 15.806 13.792 1.00 0.00 ATOM 778 O ARG 95 49.148 13.331 16.933 1.00 0.00 ATOM 779 C ARG 95 49.379 14.517 17.150 1.00 0.00 ATOM 780 N GLU 96 49.795 14.977 18.335 1.00 0.00 ATOM 781 CA GLU 96 50.068 14.081 19.465 1.00 0.00 ATOM 782 CB GLU 96 50.928 14.722 20.555 1.00 0.00 ATOM 783 CG GLU 96 52.440 14.799 20.201 1.00 0.00 ATOM 784 CD GLU 96 53.007 13.655 19.323 1.00 0.00 ATOM 785 OE1 GLU 96 53.043 12.457 19.746 1.00 0.00 ATOM 786 OE2 GLU 96 53.460 13.963 18.183 1.00 0.00 ATOM 787 O GLU 96 48.690 12.371 20.478 1.00 0.00 ATOM 788 C GLU 96 48.758 13.532 20.054 1.00 0.00 ATOM 789 N GLY 97 47.763 14.366 20.086 1.00 0.00 ATOM 790 CA GLY 97 46.489 13.926 20.628 1.00 0.00 ATOM 791 O GLY 97 45.060 15.179 19.201 1.00 0.00 ATOM 792 C GLY 97 45.373 14.924 20.382 1.00 0.00 TER END