PFRMAT TS TARGET T0359 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 METHOD We had excellent hits to many templates in the same SCOP family (PDZ METHOD domain). In two independent runs (try1 and try6) undertaker seems to METHOD have chosen 2bygA as its main template, though that template did not METHOD score particularly well with the HMMs. Another template that it METHOD thought reasonable was 2fe5A. Probably both these templates were METHOD favored because they needed fewer gap openings to get a good METHOD alignment. METHOD METHOD We did very little work on this target, just running optimizers to try METHOD to close the small residual gaps. METHOD METHOD METHOD Model 1 is try5-opt2, optimized by undertaker form all earlier tries, METHOD but mainly from try4-opt2 (in turn from try4-opt2, from METHOD try2-opt2.gromacs0, from try1-opt2, from alignment to 2bygA). METHOD try5-opt2 scores best with a cost function that emphasizes METHOD closing gaps and avoiding clashes. METHOD METHOD Model 2 is try8-opt2.gromacs0.repack-nonPC, was optimized by METHOD undertaker from alignments using the same cost function as for METHOD try5 (making try6-opt2). The undertaker model was then reoptimized by gromacs METHOD (which is good at removing tiny clashes) and had its METHOD sidechains repacked by rosetta. The model was then METHOD re-optimized with undertker with a costfcn that stressed METHOD breaks and clashes and downweighted H-bonds. METHOD METHOD Model 3 is try9-opt2.gromacs0.repack-nonPC, which started from METHOD try5-opt2, did an md simulation run with gromacs to increase METHOD noise (which was too effective---many of the bond lengths got METHOD too small), then reoptimized with rosetta repacking METHOD sidechains, undertaker with constrained costfcn, gromacs to METHOD remove small clashes, rosetta to repack sidechains, undertaker METHOD with same unconstrained costfcn as for try8-opt2, gromacs to METHOD remove small clashes, rosetta to repack sidechains. It is METHOD rosetta's favorite backbone of those that don't have too-short METHOD bonds (rosetta seems to love some of the backbones with METHOD too-short bonds). METHOD METHOD Model 4 is try3-opt1, the best-scoring with our default unconstrained METHOD costfcn. This costfcn may have a bit too much reward for METHOD beta-sheet-forming H-bonds. Try2 was optimized from try2-opt2, METHOD from try1-opt2. METHOD METHOD Model 5 is sidechain replacement by SCWRL on an alignment to 2fe5A, METHOD the top-scoring template with our HMMs. METHOD METHOD REMARK 6 REMARK 6 T0359 model 2 Tue Jul 25 21:24:00 2006 MODEL 2 PARENT 2fe5_A 2fne_A 1g9o_A 1tp5_A 2fcf_A REMARK 7 REMARK 7 ALLPARENTS 2fe5_A 2fne_A 1g9o_A 1tp5_A 2fcf_A 1qav_A 1n7e_A REMARK 7 ALLPARENTS 1ihj_A 2h2b_A 1mfg_A 1q3o_A 2h3l_A 1n7f_A 2f0a_A REMARK 7 ALLPARENTS 1wf7_A 1kwa_A 1nf3_C 1qau_A 2f5y_A 1be9_A 1r6j_A REMARK 7 ALLPARENTS 1l6o_A 1pdr 1v5l_A 1i92_A 1fc6_A 1bfe_A 1nte_A REMARK 7 ALLPARENTS 1qav_B 1i16 1m5z_A 1b8q_A 1lcy_A 1n99_A 1te0_A REMARK 7 ALLPARENTS 1kwa_B 1y8t_A 1ky9_B 1ky9_A 1sot_A 1rgr_A 1kef_A REMARK 7 ALLPARENTS 1iu0_A 1zok_A 1um7_A 2byg_A 1d5g_A 1gm1_A 1vj6_A ATOM 1 N SER 1 15.702 23.332 37.912 1.00 0.00 ATOM 2 CA SER 1 14.566 23.435 38.829 1.00 0.00 ATOM 3 CB SER 1 14.788 24.570 39.809 1.00 0.00 ATOM 4 OG SER 1 14.816 25.818 39.172 1.00 0.00 ATOM 5 O SER 1 12.259 22.959 38.351 1.00 0.00 ATOM 6 C SER 1 13.243 23.639 38.067 1.00 0.00 ATOM 7 N MET 2 13.333 24.297 36.916 1.00 0.00 ATOM 8 CA MET 2 12.140 24.536 36.102 1.00 0.00 ATOM 9 CB MET 2 12.417 25.682 35.139 1.00 0.00 ATOM 10 CG MET 2 11.217 26.110 34.301 1.00 0.00 ATOM 11 SD MET 2 9.806 26.800 35.227 1.00 0.00 ATOM 12 CE MET 2 10.528 28.363 35.651 1.00 0.00 ATOM 13 O MET 2 10.501 22.986 35.364 1.00 0.00 ATOM 14 C MET 2 11.688 23.275 35.362 1.00 0.00 ATOM 15 N SER 3 12.639 22.533 34.781 1.00 0.00 ATOM 16 CA SER 3 12.329 21.275 34.063 1.00 0.00 ATOM 17 CB SER 3 11.911 20.201 35.048 1.00 0.00 ATOM 18 OG SER 3 12.926 19.907 35.968 1.00 0.00 ATOM 19 O SER 3 10.248 20.726 32.936 1.00 0.00 ATOM 20 C SER 3 11.222 21.474 32.997 1.00 0.00 ATOM 21 N GLU 4 11.361 22.543 32.223 1.00 0.00 ATOM 22 CA GLU 4 10.316 22.955 31.267 1.00 0.00 ATOM 23 CB GLU 4 9.633 24.240 31.740 1.00 0.00 ATOM 24 CG GLU 4 8.511 24.726 30.834 1.00 0.00 ATOM 25 CD GLU 4 7.431 23.689 30.698 1.00 0.00 ATOM 26 OE1 GLU 4 6.903 23.271 31.700 1.00 0.00 ATOM 27 OE2 GLU 4 7.056 23.394 29.587 1.00 0.00 ATOM 28 O GLU 4 11.940 23.727 29.674 1.00 0.00 ATOM 29 C GLU 4 10.861 23.161 29.857 1.00 0.00 ATOM 30 N THR 5 10.087 22.681 28.882 1.00 0.00 ATOM 31 CA THR 5 10.420 22.880 27.454 1.00 0.00 ATOM 32 CB THR 5 9.774 21.799 26.567 1.00 0.00 ATOM 33 CG2 THR 5 10.104 22.044 25.103 1.00 0.00 ATOM 34 OG1 THR 5 10.260 20.508 26.953 1.00 0.00 ATOM 35 O THR 5 8.782 24.643 27.283 1.00 0.00 ATOM 36 C THR 5 9.938 24.277 27.056 1.00 0.00 ATOM 37 N PHE 6 10.826 24.982 26.380 1.00 0.00 ATOM 38 CA PHE 6 10.500 26.294 25.802 1.00 0.00 ATOM 39 CB PHE 6 11.192 27.383 26.602 1.00 0.00 ATOM 40 CG PHE 6 10.708 27.569 28.028 1.00 0.00 ATOM 41 CD1 PHE 6 9.491 28.200 28.235 1.00 0.00 ATOM 42 CD2 PHE 6 11.474 27.122 29.095 1.00 0.00 ATOM 43 CE1 PHE 6 9.019 28.357 29.533 1.00 0.00 ATOM 44 CE2 PHE 6 11.003 27.289 30.392 1.00 0.00 ATOM 45 CZ PHE 6 9.775 27.901 30.601 1.00 0.00 ATOM 46 O PHE 6 11.627 25.538 23.789 1.00 0.00 ATOM 47 C PHE 6 10.912 26.379 24.324 1.00 0.00 ATOM 48 N ASP 7 10.370 27.393 23.676 1.00 0.00 ATOM 49 CA ASP 7 10.780 27.778 22.321 1.00 0.00 ATOM 50 CB ASP 7 9.668 27.472 21.316 1.00 0.00 ATOM 51 CG ASP 7 9.359 25.990 21.151 1.00 0.00 ATOM 52 OD1 ASP 7 10.249 25.254 20.796 1.00 0.00 ATOM 53 OD2 ASP 7 8.287 25.581 21.529 1.00 0.00 ATOM 54 O ASP 7 10.505 30.095 22.933 1.00 0.00 ATOM 55 C ASP 7 11.144 29.255 22.290 1.00 0.00 ATOM 56 N VAL 8 12.229 29.539 21.588 1.00 0.00 ATOM 57 CA VAL 8 12.739 30.906 21.422 1.00 0.00 ATOM 58 CB VAL 8 14.069 31.109 22.173 1.00 0.00 ATOM 59 CG1 VAL 8 14.594 32.520 21.955 1.00 0.00 ATOM 60 CG2 VAL 8 13.889 30.833 23.658 1.00 0.00 ATOM 61 O VAL 8 13.575 30.391 19.231 1.00 0.00 ATOM 62 C VAL 8 12.913 31.158 19.925 1.00 0.00 ATOM 63 N GLU 9 12.370 32.286 19.525 1.00 0.00 ATOM 64 CA GLU 9 12.632 32.816 18.189 1.00 0.00 ATOM 65 CB GLU 9 11.334 33.304 17.542 1.00 0.00 ATOM 66 CG GLU 9 11.506 33.878 16.143 1.00 0.00 ATOM 67 CD GLU 9 10.194 34.350 15.581 1.00 0.00 ATOM 68 OE1 GLU 9 9.201 34.229 16.258 1.00 0.00 ATOM 69 OE2 GLU 9 10.200 34.935 14.522 1.00 0.00 ATOM 70 O GLU 9 13.484 34.912 19.030 1.00 0.00 ATOM 71 C GLU 9 13.658 33.943 18.309 1.00 0.00 ATOM 72 N LEU 10 14.725 33.764 17.547 1.00 0.00 ATOM 73 CA LEU 10 15.820 34.736 17.461 1.00 0.00 ATOM 74 CB LEU 10 17.150 34.088 17.785 1.00 0.00 ATOM 75 CG LEU 10 17.187 33.495 19.184 1.00 0.00 ATOM 76 CD1 LEU 10 18.546 32.826 19.298 1.00 0.00 ATOM 77 CD2 LEU 10 17.036 34.552 20.276 1.00 0.00 ATOM 78 O LEU 10 15.610 34.702 15.063 1.00 0.00 ATOM 79 C LEU 10 15.924 35.330 16.065 1.00 0.00 ATOM 80 N THR 11 16.420 36.550 16.070 1.00 0.00 ATOM 81 CA THR 11 16.780 37.248 14.828 1.00 0.00 ATOM 82 CB THR 11 16.043 38.584 14.674 1.00 0.00 ATOM 83 CG2 THR 11 16.457 39.246 13.343 1.00 0.00 ATOM 84 OG1 THR 11 14.635 38.404 14.694 1.00 0.00 ATOM 85 O THR 11 18.764 38.213 15.765 1.00 0.00 ATOM 86 C THR 11 18.277 37.475 14.908 1.00 0.00 ATOM 87 N LYS 12 18.990 36.827 14.005 1.00 0.00 ATOM 88 CA LYS 12 20.453 36.999 13.872 1.00 0.00 ATOM 89 CB LYS 12 20.901 36.260 12.600 1.00 0.00 ATOM 90 CG LYS 12 22.401 36.428 12.395 1.00 0.00 ATOM 91 CD LYS 12 22.878 35.825 11.094 1.00 0.00 ATOM 92 CE LYS 12 24.346 36.195 10.935 1.00 0.00 ATOM 93 NZ LYS 12 24.862 35.496 9.776 1.00 0.00 ATOM 94 O LYS 12 20.305 39.171 12.869 1.00 0.00 ATOM 95 C LYS 12 20.803 38.485 13.750 1.00 0.00 ATOM 96 N ASN 13 21.792 38.873 14.533 1.00 0.00 ATOM 97 CA ASN 13 22.512 40.136 14.299 1.00 0.00 ATOM 98 CB ASN 13 22.930 40.741 15.641 1.00 0.00 ATOM 99 CG ASN 13 24.046 39.975 16.326 1.00 0.00 ATOM 100 ND2 ASN 13 24.278 40.324 17.541 1.00 0.00 ATOM 101 OD1 ASN 13 24.697 39.089 15.800 1.00 0.00 ATOM 102 O ASN 13 24.015 38.788 12.968 1.00 0.00 ATOM 103 C ASN 13 23.707 39.912 13.344 1.00 0.00 ATOM 104 N VAL 14 24.498 40.944 13.085 1.00 0.00 ATOM 105 CA VAL 14 25.696 40.842 12.214 1.00 0.00 ATOM 106 CB VAL 14 26.474 42.171 12.166 1.00 0.00 ATOM 107 CG1 VAL 14 27.798 41.987 11.441 1.00 0.00 ATOM 108 CG2 VAL 14 25.643 43.251 11.491 1.00 0.00 ATOM 109 O VAL 14 27.141 39.003 11.789 1.00 0.00 ATOM 110 C VAL 14 26.674 39.738 12.648 1.00 0.00 ATOM 111 N GLN 15 26.790 39.572 13.956 1.00 0.00 ATOM 112 CA GLN 15 27.663 38.553 14.587 1.00 0.00 ATOM 113 CB GLN 15 28.176 39.090 15.923 1.00 0.00 ATOM 114 CG GLN 15 28.988 40.360 15.722 1.00 0.00 ATOM 115 CD GLN 15 30.250 40.149 14.893 1.00 0.00 ATOM 116 OE1 GLN 15 31.040 39.235 15.060 1.00 0.00 ATOM 117 NE2 GLN 15 30.461 41.065 13.994 1.00 0.00 ATOM 118 O GLN 15 27.611 36.312 15.498 1.00 0.00 ATOM 119 C GLN 15 27.026 37.176 14.842 1.00 0.00 ATOM 120 N GLY 16 25.814 36.982 14.337 1.00 0.00 ATOM 121 CA GLY 16 25.071 35.715 14.523 1.00 0.00 ATOM 122 O GLY 16 23.400 36.782 15.930 1.00 0.00 ATOM 123 C GLY 16 23.989 35.757 15.617 1.00 0.00 ATOM 124 N LEU 17 23.666 34.567 16.073 1.00 0.00 ATOM 125 CA LEU 17 22.683 34.337 17.157 1.00 0.00 ATOM 126 CB LEU 17 22.251 32.862 17.242 1.00 0.00 ATOM 127 CG LEU 17 21.438 32.403 16.023 1.00 0.00 ATOM 128 CD1 LEU 17 21.090 30.929 16.164 1.00 0.00 ATOM 129 CD2 LEU 17 20.106 33.151 15.918 1.00 0.00 ATOM 130 O LEU 17 22.435 35.496 19.251 1.00 0.00 ATOM 131 C LEU 17 23.175 34.841 18.529 1.00 0.00 ATOM 132 N GLY 18 24.463 34.609 18.771 1.00 0.00 ATOM 133 CA GLY 18 25.168 35.122 19.948 1.00 0.00 ATOM 134 O GLY 18 25.519 34.459 22.207 1.00 0.00 ATOM 135 C GLY 18 25.448 34.095 21.036 1.00 0.00 ATOM 136 N ILE 19 25.584 32.838 20.637 1.00 0.00 ATOM 137 CA ILE 19 25.790 31.715 21.570 1.00 0.00 ATOM 138 CB ILE 19 24.450 31.042 21.954 1.00 0.00 ATOM 139 CG1 ILE 19 23.659 30.618 20.709 1.00 0.00 ATOM 140 CG2 ILE 19 23.680 31.954 22.907 1.00 0.00 ATOM 141 CD1 ILE 19 22.440 29.745 21.021 1.00 0.00 ATOM 142 O ILE 19 26.990 30.585 19.824 1.00 0.00 ATOM 143 C ILE 19 26.737 30.644 21.032 1.00 0.00 ATOM 144 N THR 20 27.262 29.873 21.972 1.00 0.00 ATOM 145 CA THR 20 28.112 28.693 21.696 1.00 0.00 ATOM 146 CB THR 20 29.506 28.838 22.335 1.00 0.00 ATOM 147 CG2 THR 20 30.199 30.093 21.823 1.00 0.00 ATOM 148 OG1 THR 20 29.375 28.916 23.760 1.00 0.00 ATOM 149 O THR 20 26.674 27.524 23.220 1.00 0.00 ATOM 150 C THR 20 27.407 27.450 22.230 1.00 0.00 ATOM 151 N ILE 21 27.838 26.308 21.719 1.00 0.00 ATOM 152 CA ILE 21 27.304 24.997 22.141 1.00 0.00 ATOM 153 CB ILE 21 26.220 24.529 21.171 1.00 0.00 ATOM 154 CG1 ILE 21 26.817 24.369 19.766 1.00 0.00 ATOM 155 CG2 ILE 21 25.001 25.459 21.268 1.00 0.00 ATOM 156 CD1 ILE 21 25.775 23.941 18.737 1.00 0.00 ATOM 157 O ILE 21 29.494 24.039 21.823 1.00 0.00 ATOM 158 C ILE 21 28.372 23.911 22.305 1.00 0.00 ATOM 159 N ALA 22 28.000 22.925 23.121 1.00 0.00 ATOM 160 CA ALA 22 28.823 21.726 23.374 1.00 0.00 ATOM 161 CB ALA 22 29.727 21.946 24.588 1.00 0.00 ATOM 162 O ALA 22 26.862 20.669 24.245 1.00 0.00 ATOM 163 C ALA 22 27.928 20.514 23.662 1.00 0.00 ATOM 164 N GLY 23 28.510 19.332 23.451 1.00 0.00 ATOM 165 CA GLY 23 27.866 18.062 23.823 1.00 0.00 ATOM 166 O GLY 23 25.977 17.880 22.294 1.00 0.00 ATOM 167 C GLY 23 27.034 17.426 22.710 1.00 0.00 ATOM 168 N TYR 24 27.571 16.307 22.271 1.00 0.00 ATOM 169 CA TYR 24 27.017 15.492 21.185 1.00 0.00 ATOM 170 CB TYR 24 27.744 15.904 19.890 1.00 0.00 ATOM 171 CG TYR 24 27.415 17.337 19.468 1.00 0.00 ATOM 172 CD1 TYR 24 28.113 18.442 19.932 1.00 0.00 ATOM 173 CD2 TYR 24 26.359 17.551 18.620 1.00 0.00 ATOM 174 CE1 TYR 24 27.746 19.728 19.593 1.00 0.00 ATOM 175 CE2 TYR 24 26.018 18.817 18.221 1.00 0.00 ATOM 176 CZ TYR 24 26.697 19.907 18.718 1.00 0.00 ATOM 177 OH TYR 24 26.415 21.154 18.359 1.00 0.00 ATOM 178 O TYR 24 28.065 13.750 22.476 1.00 0.00 ATOM 179 C TYR 24 27.312 14.032 21.541 1.00 0.00 ATOM 180 N ILE 25 26.725 13.095 20.807 1.00 0.00 ATOM 181 CA ILE 25 27.123 11.678 20.930 1.00 0.00 ATOM 182 CB ILE 25 26.258 10.768 20.036 1.00 0.00 ATOM 183 CG1 ILE 25 24.802 10.784 20.509 1.00 0.00 ATOM 184 CG2 ILE 25 26.805 9.349 20.034 1.00 0.00 ATOM 185 CD1 ILE 25 23.846 10.094 19.564 1.00 0.00 ATOM 186 O ILE 25 29.070 12.073 19.559 1.00 0.00 ATOM 187 C ILE 25 28.610 11.531 20.554 1.00 0.00 ATOM 188 N GLY 26 29.315 10.798 21.419 1.00 0.00 ATOM 189 CA GLY 26 30.769 10.602 21.264 1.00 0.00 ATOM 190 O GLY 26 32.763 11.666 22.036 1.00 0.00 ATOM 191 C GLY 26 31.559 11.786 21.834 1.00 0.00 ATOM 192 N ASP 27 30.872 12.898 22.070 1.00 0.00 ATOM 193 CA ASP 27 31.456 14.104 22.698 1.00 0.00 ATOM 194 CB ASP 27 31.514 15.258 21.694 1.00 0.00 ATOM 195 CG ASP 27 32.396 16.422 22.124 1.00 0.00 ATOM 196 OD1 ASP 27 33.162 16.254 23.042 1.00 0.00 ATOM 197 OD2 ASP 27 32.411 17.415 21.437 1.00 0.00 ATOM 198 O ASP 27 30.172 15.648 24.093 1.00 0.00 ATOM 199 C ASP 27 30.661 14.530 23.939 1.00 0.00 ATOM 200 N LYS 28 30.397 13.515 24.752 1.00 0.00 ATOM 201 CA LYS 28 29.567 13.636 25.964 1.00 0.00 ATOM 202 CB LYS 28 29.804 12.430 26.825 1.00 0.00 ATOM 203 CG LYS 28 29.037 11.187 26.423 1.00 0.00 ATOM 204 CD LYS 28 29.434 10.061 27.366 1.00 0.00 ATOM 205 CE LYS 28 28.676 8.806 26.956 1.00 0.00 ATOM 206 NZ LYS 28 29.124 7.656 27.748 1.00 0.00 ATOM 207 O LYS 28 31.015 14.883 27.428 1.00 0.00 ATOM 208 C LYS 28 29.930 14.831 26.848 1.00 0.00 ATOM 209 N LYS 29 28.888 15.601 27.128 1.00 0.00 ATOM 210 CA LYS 29 28.986 16.671 28.145 1.00 0.00 ATOM 211 CB LYS 29 27.804 17.639 28.093 1.00 0.00 ATOM 212 CG LYS 29 27.826 18.766 29.117 1.00 0.00 ATOM 213 CD LYS 29 28.981 19.716 28.818 1.00 0.00 ATOM 214 CE LYS 29 28.894 20.900 29.759 1.00 0.00 ATOM 215 NZ LYS 29 30.008 21.827 29.497 1.00 0.00 ATOM 216 O LYS 29 29.893 16.519 30.276 1.00 0.00 ATOM 217 C LYS 29 29.088 16.029 29.516 1.00 0.00 ATOM 218 N LEU 30 28.150 15.136 29.825 1.00 0.00 ATOM 219 CA LEU 30 28.146 14.185 30.949 1.00 0.00 ATOM 220 CB LEU 30 26.982 14.491 31.899 1.00 0.00 ATOM 221 CG LEU 30 27.030 15.870 32.569 1.00 0.00 ATOM 222 CD1 LEU 30 25.765 16.099 33.385 1.00 0.00 ATOM 223 CD2 LEU 30 28.265 15.963 33.452 1.00 0.00 ATOM 224 O LEU 30 28.437 12.585 29.213 1.00 0.00 ATOM 225 C LEU 30 28.060 12.757 30.362 1.00 0.00 ATOM 226 N GLU 31 27.399 11.783 30.970 1.00 0.00 ATOM 227 CA GLU 31 26.844 10.571 30.310 1.00 0.00 ATOM 228 CB GLU 31 26.030 9.743 31.307 1.00 0.00 ATOM 229 CG GLU 31 25.469 8.447 30.739 1.00 0.00 ATOM 230 CD GLU 31 24.737 7.661 31.791 1.00 0.00 ATOM 231 OE1 GLU 31 24.692 8.105 32.913 1.00 0.00 ATOM 232 OE2 GLU 31 24.128 6.675 31.450 1.00 0.00 ATOM 233 O GLU 31 25.974 10.361 28.062 1.00 0.00 ATOM 234 C GLU 31 25.983 11.037 29.105 1.00 0.00 ATOM 235 N PRO 32 25.211 12.132 29.247 1.00 0.00 ATOM 236 CA PRO 32 24.409 12.659 28.151 1.00 0.00 ATOM 237 CB PRO 32 23.399 13.662 28.753 1.00 0.00 ATOM 238 CG PRO 32 23.888 13.968 30.160 1.00 0.00 ATOM 239 CD PRO 32 24.689 12.720 30.481 1.00 0.00 ATOM 240 O PRO 32 26.455 13.372 27.088 1.00 0.00 ATOM 241 C PRO 32 25.259 13.151 26.990 1.00 0.00 ATOM 242 N SER 33 24.569 13.181 25.873 1.00 0.00 ATOM 243 CA SER 33 25.114 13.594 24.567 1.00 0.00 ATOM 244 CB SER 33 24.941 12.434 23.597 1.00 0.00 ATOM 245 OG SER 33 23.545 12.137 23.429 1.00 0.00 ATOM 246 O SER 33 24.503 15.133 22.824 1.00 0.00 ATOM 247 C SER 33 24.392 14.835 24.010 1.00 0.00 ATOM 248 N GLY 34 23.628 15.492 24.876 1.00 0.00 ATOM 249 CA GLY 34 22.844 16.697 24.549 1.00 0.00 ATOM 250 O GLY 34 24.841 18.023 24.711 1.00 0.00 ATOM 251 C GLY 34 23.741 17.876 24.164 1.00 0.00 ATOM 252 N ILE 35 23.160 18.750 23.355 1.00 0.00 ATOM 253 CA ILE 35 23.799 20.000 22.915 1.00 0.00 ATOM 254 CB ILE 35 23.404 20.358 21.471 1.00 0.00 ATOM 255 CG1 ILE 35 23.810 19.237 20.512 1.00 0.00 ATOM 256 CG2 ILE 35 24.041 21.675 21.056 1.00 0.00 ATOM 257 CD1 ILE 35 22.922 18.017 20.588 1.00 0.00 ATOM 258 O ILE 35 22.190 21.398 24.032 1.00 0.00 ATOM 259 C ILE 35 23.376 21.103 23.895 1.00 0.00 ATOM 260 N PHE 36 24.375 21.747 24.473 1.00 0.00 ATOM 261 CA PHE 36 24.141 22.799 25.480 1.00 0.00 ATOM 262 CB PHE 36 24.783 22.414 26.814 1.00 0.00 ATOM 263 CG PHE 36 24.321 21.090 27.350 1.00 0.00 ATOM 264 CD1 PHE 36 25.016 19.926 27.058 1.00 0.00 ATOM 265 CD2 PHE 36 23.189 21.004 28.147 1.00 0.00 ATOM 266 CE1 PHE 36 24.591 18.706 27.551 1.00 0.00 ATOM 267 CE2 PHE 36 22.763 19.787 28.642 1.00 0.00 ATOM 268 CZ PHE 36 23.466 18.636 28.342 1.00 0.00 ATOM 269 O PHE 36 25.797 24.253 24.533 1.00 0.00 ATOM 270 C PHE 36 24.669 24.169 25.040 1.00 0.00 ATOM 271 N VAL 37 23.910 25.207 25.360 1.00 0.00 ATOM 272 CA VAL 37 24.385 26.606 25.263 1.00 0.00 ATOM 273 CB VAL 37 23.226 27.609 25.413 1.00 0.00 ATOM 274 CG1 VAL 37 23.748 29.037 25.368 1.00 0.00 ATOM 275 CG2 VAL 37 22.187 27.388 24.323 1.00 0.00 ATOM 276 O VAL 37 25.136 26.948 27.530 1.00 0.00 ATOM 277 C VAL 37 25.448 26.877 26.341 1.00 0.00 ATOM 278 N LYS 38 26.665 27.147 25.906 1.00 0.00 ATOM 279 CA LYS 38 27.792 27.431 26.817 1.00 0.00 ATOM 280 CB LYS 38 29.085 26.837 26.238 1.00 0.00 ATOM 281 CG LYS 38 30.252 26.947 27.230 1.00 0.00 ATOM 282 CD LYS 38 31.523 26.290 26.700 1.00 0.00 ATOM 283 CE LYS 38 32.663 26.415 27.712 1.00 0.00 ATOM 284 NZ LYS 38 33.874 25.723 27.272 1.00 0.00 ATOM 285 O LYS 38 28.536 29.218 28.239 1.00 0.00 ATOM 286 C LYS 38 27.983 28.913 27.178 1.00 0.00 ATOM 287 N SER 39 27.735 29.782 26.210 1.00 0.00 ATOM 288 CA SER 39 27.916 31.237 26.374 1.00 0.00 ATOM 289 CB SER 39 29.323 31.637 25.975 1.00 0.00 ATOM 290 OG SER 39 29.531 33.018 26.093 1.00 0.00 ATOM 291 O SER 39 26.522 31.587 24.476 1.00 0.00 ATOM 292 C SER 39 26.896 32.020 25.560 1.00 0.00 ATOM 293 N ILE 40 26.456 33.132 26.146 1.00 0.00 ATOM 294 CA ILE 40 25.539 34.105 25.524 1.00 0.00 ATOM 295 CB ILE 40 24.207 34.220 26.279 1.00 0.00 ATOM 296 CG1 ILE 40 23.523 32.857 26.383 1.00 0.00 ATOM 297 CG2 ILE 40 23.300 35.242 25.569 1.00 0.00 ATOM 298 CD1 ILE 40 22.361 32.829 27.370 1.00 0.00 ATOM 299 O ILE 40 26.608 36.061 26.503 1.00 0.00 ATOM 300 C ILE 40 26.265 35.463 25.479 1.00 0.00 ATOM 301 N THR 41 26.572 35.854 24.260 1.00 0.00 ATOM 302 CA THR 41 27.319 37.099 23.986 1.00 0.00 ATOM 303 CB THR 41 27.691 37.186 22.500 1.00 0.00 ATOM 304 CG2 THR 41 28.534 38.426 22.160 1.00 0.00 ATOM 305 OG1 THR 41 28.428 36.008 22.179 1.00 0.00 ATOM 306 O THR 41 25.349 38.496 24.002 1.00 0.00 ATOM 307 C THR 41 26.488 38.300 24.430 1.00 0.00 ATOM 308 N LYS 42 27.131 39.157 25.202 1.00 0.00 ATOM 309 CA LYS 42 26.566 40.470 25.567 1.00 0.00 ATOM 310 CB LYS 42 27.590 41.297 26.345 1.00 0.00 ATOM 311 CG LYS 42 27.076 42.647 26.824 1.00 0.00 ATOM 312 CD LYS 42 28.128 43.382 27.642 1.00 0.00 ATOM 313 CE LYS 42 27.627 44.747 28.093 1.00 0.00 ATOM 314 NZ LYS 42 28.648 45.479 28.890 1.00 0.00 ATOM 315 O LYS 42 26.886 41.230 23.339 1.00 0.00 ATOM 316 C LYS 42 26.123 41.192 24.305 1.00 0.00 ATOM 317 N SER 43 24.938 41.791 24.373 1.00 0.00 ATOM 318 CA SER 43 24.422 42.631 23.271 1.00 0.00 ATOM 319 CB SER 43 25.403 43.741 22.871 1.00 0.00 ATOM 320 OG SER 43 25.749 44.602 23.962 1.00 0.00 ATOM 321 O SER 43 23.629 42.410 20.980 1.00 0.00 ATOM 322 C SER 43 24.062 41.837 21.991 1.00 0.00 ATOM 323 N SER 44 24.114 40.511 22.080 1.00 0.00 ATOM 324 CA SER 44 23.735 39.638 20.953 1.00 0.00 ATOM 325 CB SER 44 24.409 38.287 21.089 1.00 0.00 ATOM 326 OG SER 44 23.795 37.486 22.060 1.00 0.00 ATOM 327 O SER 44 21.476 39.818 21.770 1.00 0.00 ATOM 328 C SER 44 22.221 39.460 20.857 1.00 0.00 ATOM 329 N ALA 45 21.791 38.800 19.785 1.00 0.00 ATOM 330 CA ALA 45 20.360 38.495 19.539 1.00 0.00 ATOM 331 CB ALA 45 20.233 37.732 18.232 1.00 0.00 ATOM 332 O ALA 45 18.700 38.113 21.236 1.00 0.00 ATOM 333 C ALA 45 19.707 37.693 20.680 1.00 0.00 ATOM 334 N VAL 46 20.408 36.639 21.112 1.00 0.00 ATOM 335 CA VAL 46 19.979 35.768 22.229 1.00 0.00 ATOM 336 CB VAL 46 20.982 34.626 22.472 1.00 0.00 ATOM 337 CG1 VAL 46 20.703 33.946 23.804 1.00 0.00 ATOM 338 CG2 VAL 46 20.926 33.614 21.338 1.00 0.00 ATOM 339 O VAL 46 18.811 36.384 24.232 1.00 0.00 ATOM 340 C VAL 46 19.808 36.572 23.527 1.00 0.00 ATOM 341 N GLU 47 20.865 37.321 23.866 1.00 0.00 ATOM 342 CA GLU 47 20.899 38.075 25.130 1.00 0.00 ATOM 343 CB GLU 47 22.254 38.766 25.303 1.00 0.00 ATOM 344 CG GLU 47 22.389 39.566 26.591 1.00 0.00 ATOM 345 CD GLU 47 22.383 38.667 27.797 1.00 0.00 ATOM 346 OE1 GLU 47 22.493 37.476 27.626 1.00 0.00 ATOM 347 OE2 GLU 47 22.382 39.175 28.893 1.00 0.00 ATOM 348 O GLU 47 19.013 39.203 26.126 1.00 0.00 ATOM 349 C GLU 47 19.755 39.101 25.159 1.00 0.00 ATOM 350 N HIS 48 19.641 39.830 24.050 1.00 0.00 ATOM 351 CA HIS 48 18.608 40.851 23.873 1.00 0.00 ATOM 352 CB HIS 48 18.772 41.558 22.523 1.00 0.00 ATOM 353 CG HIS 48 17.734 42.606 22.264 1.00 0.00 ATOM 354 CD2 HIS 48 16.673 42.620 21.424 1.00 0.00 ATOM 355 ND1 HIS 48 17.726 43.821 22.916 1.00 0.00 ATOM 356 CE1 HIS 48 16.701 44.538 22.488 1.00 0.00 ATOM 357 NE2 HIS 48 16.048 43.832 21.583 1.00 0.00 ATOM 358 O HIS 48 16.331 40.849 24.604 1.00 0.00 ATOM 359 C HIS 48 17.201 40.247 23.978 1.00 0.00 ATOM 360 N ASP 49 17.013 39.093 23.341 1.00 0.00 ATOM 361 CA ASP 49 15.725 38.374 23.405 1.00 0.00 ATOM 362 CB ASP 49 15.799 37.092 22.558 1.00 0.00 ATOM 363 CG ASP 49 14.465 36.345 22.537 1.00 0.00 ATOM 364 OD1 ASP 49 13.506 36.945 22.056 1.00 0.00 ATOM 365 OD2 ASP 49 14.403 35.230 23.089 1.00 0.00 ATOM 366 O ASP 49 14.207 38.178 25.281 1.00 0.00 ATOM 367 C ASP 49 15.353 38.040 24.862 1.00 0.00 ATOM 368 N GLY 50 16.356 37.594 25.613 1.00 0.00 ATOM 369 CA GLY 50 16.286 37.401 27.076 1.00 0.00 ATOM 370 O GLY 50 15.102 35.996 28.637 1.00 0.00 ATOM 371 C GLY 50 15.563 36.114 27.506 1.00 0.00 ATOM 372 N ARG 51 15.567 35.117 26.636 1.00 0.00 ATOM 373 CA ARG 51 14.938 33.817 26.941 1.00 0.00 ATOM 374 CB ARG 51 13.866 33.446 25.927 1.00 0.00 ATOM 375 CG ARG 51 12.646 34.353 25.926 1.00 0.00 ATOM 376 CD ARG 51 11.585 33.953 24.966 1.00 0.00 ATOM 377 NE ARG 51 10.426 34.830 24.948 1.00 0.00 ATOM 378 CZ ARG 51 9.343 34.650 24.168 1.00 0.00 ATOM 379 NH1 ARG 51 9.280 33.652 23.315 1.00 0.00 ATOM 380 NH2 ARG 51 8.352 35.519 24.265 1.00 0.00 ATOM 381 O ARG 51 15.848 31.861 27.995 1.00 0.00 ATOM 382 C ARG 51 15.951 32.682 27.084 1.00 0.00 ATOM 383 N ILE 52 16.874 32.579 26.128 1.00 0.00 ATOM 384 CA ILE 52 17.921 31.542 26.195 1.00 0.00 ATOM 385 CB ILE 52 18.678 31.442 24.874 1.00 0.00 ATOM 386 CG1 ILE 52 17.680 30.975 23.808 1.00 0.00 ATOM 387 CG2 ILE 52 19.915 30.523 24.936 1.00 0.00 ATOM 388 CD1 ILE 52 18.201 31.122 22.387 1.00 0.00 ATOM 389 O ILE 52 19.248 32.976 27.562 1.00 0.00 ATOM 390 C ILE 52 18.859 31.834 27.358 1.00 0.00 ATOM 391 N GLN 53 19.227 30.744 28.026 1.00 0.00 ATOM 392 CA GLN 53 20.170 30.736 29.147 1.00 0.00 ATOM 393 CB GLN 53 19.443 30.420 30.457 1.00 0.00 ATOM 394 CG GLN 53 18.603 31.565 30.995 1.00 0.00 ATOM 395 CD GLN 53 17.927 31.219 32.308 1.00 0.00 ATOM 396 OE1 GLN 53 17.972 30.073 32.763 1.00 0.00 ATOM 397 NE2 GLN 53 17.291 32.210 32.924 1.00 0.00 ATOM 398 O GLN 53 21.126 28.760 28.120 1.00 0.00 ATOM 399 C GLN 53 21.274 29.712 28.886 1.00 0.00 ATOM 400 N ILE 54 22.426 29.985 29.495 1.00 0.00 ATOM 401 CA ILE 54 23.515 28.989 29.514 1.00 0.00 ATOM 402 CB ILE 54 24.785 29.554 30.176 1.00 0.00 ATOM 403 CG1 ILE 54 25.351 30.709 29.346 1.00 0.00 ATOM 404 CG2 ILE 54 25.825 28.458 30.351 1.00 0.00 ATOM 405 CD1 ILE 54 26.468 31.464 30.030 1.00 0.00 ATOM 406 O ILE 54 22.337 27.810 31.258 1.00 0.00 ATOM 407 C ILE 54 23.059 27.726 30.259 1.00 0.00 ATOM 408 N GLY 55 23.324 26.599 29.614 1.00 0.00 ATOM 409 CA GLY 55 22.935 25.282 30.151 1.00 0.00 ATOM 410 O GLY 55 21.418 23.516 29.596 1.00 0.00 ATOM 411 C GLY 55 21.723 24.695 29.425 1.00 0.00 ATOM 412 N ASP 56 21.020 25.524 28.669 1.00 0.00 ATOM 413 CA ASP 56 19.829 25.101 27.901 1.00 0.00 ATOM 414 CB ASP 56 19.048 26.321 27.407 1.00 0.00 ATOM 415 CG ASP 56 18.277 27.057 28.494 1.00 0.00 ATOM 416 OD1 ASP 56 18.183 26.539 29.582 1.00 0.00 ATOM 417 OD2 ASP 56 17.925 28.192 28.279 1.00 0.00 ATOM 418 O ASP 56 21.140 24.483 25.960 1.00 0.00 ATOM 419 C ASP 56 20.210 24.217 26.722 1.00 0.00 ATOM 420 N GLN 57 19.448 23.134 26.613 1.00 0.00 ATOM 421 CA GLN 57 19.577 22.213 25.473 1.00 0.00 ATOM 422 CB GLN 57 18.957 20.854 25.810 1.00 0.00 ATOM 423 CG GLN 57 19.813 19.986 26.716 1.00 0.00 ATOM 424 CD GLN 57 19.157 18.655 27.030 1.00 0.00 ATOM 425 OE1 GLN 57 18.025 18.391 26.615 1.00 0.00 ATOM 426 NE2 GLN 57 19.864 17.809 27.769 1.00 0.00 ATOM 427 O GLN 57 17.787 23.269 24.252 1.00 0.00 ATOM 428 C GLN 57 18.913 22.790 24.222 1.00 0.00 ATOM 429 N ILE 58 19.636 22.651 23.120 1.00 0.00 ATOM 430 CA ILE 58 19.073 23.010 21.802 1.00 0.00 ATOM 431 CB ILE 58 20.093 23.738 20.913 1.00 0.00 ATOM 432 CG1 ILE 58 20.789 24.901 21.653 1.00 0.00 ATOM 433 CG2 ILE 58 19.409 24.307 19.665 1.00 0.00 ATOM 434 CD1 ILE 58 19.832 25.999 22.168 1.00 0.00 ATOM 435 O ILE 58 19.296 20.741 21.065 1.00 0.00 ATOM 436 C ILE 58 18.563 21.717 21.170 1.00 0.00 ATOM 437 N ILE 59 17.264 21.693 20.901 1.00 0.00 ATOM 438 CA ILE 59 16.595 20.470 20.400 1.00 0.00 ATOM 439 CB ILE 59 15.204 20.292 21.045 1.00 0.00 ATOM 440 CG1 ILE 59 15.280 20.250 22.582 1.00 0.00 ATOM 441 CG2 ILE 59 14.424 19.082 20.509 1.00 0.00 ATOM 442 CD1 ILE 59 16.172 19.130 23.153 1.00 0.00 ATOM 443 O ILE 59 16.639 19.445 18.219 1.00 0.00 ATOM 444 C ILE 59 16.477 20.485 18.870 1.00 0.00 ATOM 445 N ALA 60 16.021 21.623 18.362 1.00 0.00 ATOM 446 CA ALA 60 15.718 21.785 16.924 1.00 0.00 ATOM 447 CB ALA 60 14.301 21.291 16.632 1.00 0.00 ATOM 448 O ALA 60 15.514 24.167 17.230 1.00 0.00 ATOM 449 C ALA 60 15.851 23.244 16.484 1.00 0.00 ATOM 450 N VAL 61 16.392 23.408 15.281 1.00 0.00 ATOM 451 CA VAL 61 16.557 24.737 14.645 1.00 0.00 ATOM 452 CB VAL 61 18.043 25.124 14.520 1.00 0.00 ATOM 453 CG1 VAL 61 18.181 26.532 13.962 1.00 0.00 ATOM 454 CG2 VAL 61 18.737 25.016 15.869 1.00 0.00 ATOM 455 O VAL 61 16.306 23.948 12.408 1.00 0.00 ATOM 456 C VAL 61 15.903 24.738 13.256 1.00 0.00 ATOM 457 N ASP 62 14.801 25.482 13.159 1.00 0.00 ATOM 458 CA ASP 62 13.982 25.598 11.936 1.00 0.00 ATOM 459 CB ASP 62 14.619 26.588 10.957 1.00 0.00 ATOM 460 CG ASP 62 14.723 28.013 11.482 1.00 0.00 ATOM 461 OD1 ASP 62 13.745 28.515 11.984 1.00 0.00 ATOM 462 OD2 ASP 62 15.813 28.532 11.521 1.00 0.00 ATOM 463 O ASP 62 13.910 24.097 9.985 1.00 0.00 ATOM 464 C ASP 62 13.746 24.271 11.193 1.00 0.00 ATOM 465 N GLY 63 13.337 23.309 12.018 1.00 0.00 ATOM 466 CA GLY 63 12.922 21.988 11.526 1.00 0.00 ATOM 467 O GLY 63 13.682 19.716 11.589 1.00 0.00 ATOM 468 C GLY 63 13.988 20.905 11.639 1.00 0.00 ATOM 469 N THR 64 15.224 21.370 11.763 1.00 0.00 ATOM 470 CA THR 64 16.393 20.493 11.804 1.00 0.00 ATOM 471 CB THR 64 17.604 21.192 11.181 1.00 0.00 ATOM 472 CG2 THR 64 18.780 20.226 11.091 1.00 0.00 ATOM 473 OG1 THR 64 17.260 21.543 9.842 1.00 0.00 ATOM 474 O THR 64 16.936 20.847 14.131 1.00 0.00 ATOM 475 C THR 64 16.653 20.040 13.242 1.00 0.00 ATOM 476 N ASN 65 16.461 18.744 13.432 1.00 0.00 ATOM 477 CA ASN 65 16.725 18.155 14.757 1.00 0.00 ATOM 478 CB ASN 65 16.210 16.729 14.844 1.00 0.00 ATOM 479 CG ASN 65 14.710 16.629 14.862 1.00 0.00 ATOM 480 ND2 ASN 65 14.219 15.455 14.554 1.00 0.00 ATOM 481 OD1 ASN 65 14.008 17.581 15.222 1.00 0.00 ATOM 482 O ASN 65 19.081 17.993 14.275 1.00 0.00 ATOM 483 C ASN 65 18.210 18.188 15.115 1.00 0.00 ATOM 484 N LEU 66 18.415 18.407 16.399 1.00 0.00 ATOM 485 CA LEU 66 19.741 18.325 17.023 1.00 0.00 ATOM 486 CB LEU 66 20.077 19.645 17.729 1.00 0.00 ATOM 487 CG LEU 66 21.020 20.577 16.957 1.00 0.00 ATOM 488 CD1 LEU 66 20.330 21.097 15.703 1.00 0.00 ATOM 489 CD2 LEU 66 21.446 21.728 17.855 1.00 0.00 ATOM 490 O LEU 66 20.920 16.936 18.604 1.00 0.00 ATOM 491 C LEU 66 19.867 17.166 18.026 1.00 0.00 ATOM 492 N GLN 67 18.934 16.230 17.866 1.00 0.00 ATOM 493 CA GLN 67 18.915 15.003 18.663 1.00 0.00 ATOM 494 CB GLN 67 17.492 14.447 18.756 1.00 0.00 ATOM 495 CG GLN 67 17.372 13.181 19.590 1.00 0.00 ATOM 496 CD GLN 67 17.628 13.433 21.063 1.00 0.00 ATOM 497 OE1 GLN 67 17.056 14.349 21.660 1.00 0.00 ATOM 498 NE2 GLN 67 18.494 12.621 21.658 1.00 0.00 ATOM 499 O GLN 67 19.624 13.478 16.945 1.00 0.00 ATOM 500 C GLN 67 19.851 13.946 18.063 1.00 0.00 ATOM 501 N GLY 68 20.919 13.696 18.805 1.00 0.00 ATOM 502 CA GLY 68 21.875 12.623 18.478 1.00 0.00 ATOM 503 O GLY 68 23.278 11.969 16.618 1.00 0.00 ATOM 504 C GLY 68 22.754 12.890 17.244 1.00 0.00 ATOM 505 N PHE 69 23.024 14.167 17.032 1.00 0.00 ATOM 506 CA PHE 69 23.874 14.626 15.926 1.00 0.00 ATOM 507 CB PHE 69 23.230 15.808 15.201 1.00 0.00 ATOM 508 CG PHE 69 21.986 15.358 14.429 1.00 0.00 ATOM 509 CD1 PHE 69 20.736 15.475 15.008 1.00 0.00 ATOM 510 CD2 PHE 69 22.098 14.824 13.149 1.00 0.00 ATOM 511 CE1 PHE 69 19.609 15.059 14.326 1.00 0.00 ATOM 512 CE2 PHE 69 20.981 14.406 12.457 1.00 0.00 ATOM 513 CZ PHE 69 19.741 14.515 13.056 1.00 0.00 ATOM 514 O PHE 69 25.528 14.777 17.633 1.00 0.00 ATOM 515 C PHE 69 25.269 14.971 16.451 1.00 0.00 ATOM 516 N THR 70 26.207 15.051 15.510 1.00 0.00 ATOM 517 CA THR 70 27.606 15.452 15.775 1.00 0.00 ATOM 518 CB THR 70 28.537 15.055 14.614 1.00 0.00 ATOM 519 CG2 THR 70 28.486 13.554 14.379 1.00 0.00 ATOM 520 OG1 THR 70 28.133 15.737 13.419 1.00 0.00 ATOM 521 O THR 70 26.866 17.733 15.498 1.00 0.00 ATOM 522 C THR 70 27.693 16.964 16.007 1.00 0.00 ATOM 523 N ASN 71 28.797 17.373 16.631 1.00 0.00 ATOM 524 CA ASN 71 29.134 18.804 16.769 1.00 0.00 ATOM 525 CB ASN 71 30.486 18.994 17.433 1.00 0.00 ATOM 526 CG ASN 71 30.823 20.431 17.721 1.00 0.00 ATOM 527 ND2 ASN 71 31.817 20.926 17.029 1.00 0.00 ATOM 528 OD1 ASN 71 30.144 21.103 18.504 1.00 0.00 ATOM 529 O ASN 71 28.481 20.563 15.283 1.00 0.00 ATOM 530 C ASN 71 29.109 19.515 15.425 1.00 0.00 ATOM 531 N GLN 72 29.654 18.828 14.435 1.00 0.00 ATOM 532 CA GLN 72 29.744 19.354 13.058 1.00 0.00 ATOM 533 CB GLN 72 30.592 18.427 12.183 1.00 0.00 ATOM 534 CG GLN 72 32.073 18.433 12.523 1.00 0.00 ATOM 535 CD GLN 72 32.859 17.428 11.705 1.00 0.00 ATOM 536 OE1 GLN 72 32.288 16.654 10.930 1.00 0.00 ATOM 537 NE2 GLN 72 34.176 17.429 11.872 1.00 0.00 ATOM 538 O GLN 72 28.156 20.591 11.782 1.00 0.00 ATOM 539 C GLN 72 28.403 19.550 12.369 1.00 0.00 ATOM 540 N GLN 73 27.519 18.599 12.653 1.00 0.00 ATOM 541 CA GLN 73 26.160 18.620 12.088 1.00 0.00 ATOM 542 CB GLN 73 25.469 17.295 12.400 1.00 0.00 ATOM 543 CG GLN 73 24.115 17.196 11.699 1.00 0.00 ATOM 544 CD GLN 73 24.194 17.281 10.189 1.00 0.00 ATOM 545 OE1 GLN 73 24.987 16.621 9.535 1.00 0.00 ATOM 546 NE2 GLN 73 23.347 18.083 9.606 1.00 0.00 ATOM 547 O GLN 73 24.787 20.584 11.897 1.00 0.00 ATOM 548 C GLN 73 25.372 19.801 12.634 1.00 0.00 ATOM 549 N ALA 74 25.475 19.981 13.948 1.00 0.00 ATOM 550 CA ALA 74 24.787 21.114 14.565 1.00 0.00 ATOM 551 CB ALA 74 24.848 20.914 16.042 1.00 0.00 ATOM 552 O ALA 74 24.630 23.428 14.009 1.00 0.00 ATOM 553 C ALA 74 25.379 22.474 14.234 1.00 0.00 ATOM 554 N VAL 75 26.701 22.520 14.075 1.00 0.00 ATOM 555 CA VAL 75 27.386 23.732 13.596 1.00 0.00 ATOM 556 CB VAL 75 28.917 23.558 13.565 1.00 0.00 ATOM 557 CG1 VAL 75 29.623 24.745 12.917 1.00 0.00 ATOM 558 CG2 VAL 75 29.465 23.466 14.981 1.00 0.00 ATOM 559 O VAL 75 26.539 25.274 11.977 1.00 0.00 ATOM 560 C VAL 75 26.851 24.109 12.203 1.00 0.00 ATOM 561 N GLU 76 26.765 23.109 11.338 1.00 0.00 ATOM 562 CA GLU 76 26.235 23.277 9.972 1.00 0.00 ATOM 563 CB GLU 76 26.329 21.970 9.178 1.00 0.00 ATOM 564 CG GLU 76 27.769 21.603 8.793 1.00 0.00 ATOM 565 CD GLU 76 28.451 22.709 7.975 1.00 0.00 ATOM 566 OE1 GLU 76 27.865 23.129 6.952 1.00 0.00 ATOM 567 OE2 GLU 76 29.496 23.207 8.479 1.00 0.00 ATOM 568 O GLU 76 24.469 24.728 9.293 1.00 0.00 ATOM 569 C GLU 76 24.786 23.754 9.969 1.00 0.00 ATOM 570 N VAL 77 23.997 23.261 10.925 1.00 0.00 ATOM 571 CA VAL 77 22.605 23.719 11.113 1.00 0.00 ATOM 572 CB VAL 77 21.905 22.872 12.191 1.00 0.00 ATOM 573 CG1 VAL 77 20.479 23.348 12.490 1.00 0.00 ATOM 574 CG2 VAL 77 21.852 21.425 11.706 1.00 0.00 ATOM 575 O VAL 77 21.878 25.996 10.886 1.00 0.00 ATOM 576 C VAL 77 22.576 25.199 11.497 1.00 0.00 ATOM 577 N LEU 78 23.420 25.544 12.476 1.00 0.00 ATOM 578 CA LEU 78 23.548 26.933 12.945 1.00 0.00 ATOM 579 CB LEU 78 24.553 27.011 14.100 1.00 0.00 ATOM 580 CG LEU 78 24.012 26.574 15.468 1.00 0.00 ATOM 581 CD1 LEU 78 25.145 26.511 16.482 1.00 0.00 ATOM 582 CD2 LEU 78 22.934 27.545 15.922 1.00 0.00 ATOM 583 O LEU 78 23.402 28.937 11.600 1.00 0.00 ATOM 584 C LEU 78 23.971 27.863 11.810 1.00 0.00 ATOM 585 N ARG 79 25.033 27.444 11.140 1.00 0.00 ATOM 586 CA ARG 79 25.630 28.159 10.004 1.00 0.00 ATOM 587 CB ARG 79 26.926 27.513 9.537 1.00 0.00 ATOM 588 CG ARG 79 28.096 27.661 10.497 1.00 0.00 ATOM 589 CD ARG 79 29.320 26.927 10.086 1.00 0.00 ATOM 590 NE ARG 79 29.928 27.408 8.855 1.00 0.00 ATOM 591 CZ ARG 79 30.895 26.762 8.175 1.00 0.00 ATOM 592 NH1 ARG 79 31.394 25.630 8.620 1.00 0.00 ATOM 593 NH2 ARG 79 31.346 27.308 7.060 1.00 0.00 ATOM 594 O ARG 79 24.698 29.374 8.160 1.00 0.00 ATOM 595 C ARG 79 24.667 28.332 8.822 1.00 0.00 ATOM 596 N HIS 80 23.817 27.340 8.594 1.00 0.00 ATOM 597 CA HIS 80 22.834 27.353 7.485 1.00 0.00 ATOM 598 CB HIS 80 22.207 25.966 7.297 1.00 0.00 ATOM 599 CG HIS 80 23.109 24.871 6.703 1.00 0.00 ATOM 600 CD2 HIS 80 24.382 24.939 6.301 1.00 0.00 ATOM 601 ND1 HIS 80 22.725 23.600 6.597 1.00 0.00 ATOM 602 CE1 HIS 80 23.755 22.889 6.149 1.00 0.00 ATOM 603 NE2 HIS 80 24.784 23.712 5.965 1.00 0.00 ATOM 604 O HIS 80 20.969 28.631 6.673 1.00 0.00 ATOM 605 C HIS 80 21.716 28.382 7.624 1.00 0.00 ATOM 606 N THR 81 21.595 28.994 8.804 1.00 0.00 ATOM 607 CA THR 81 20.463 29.869 9.145 1.00 0.00 ATOM 608 CB THR 81 20.321 30.040 10.669 1.00 0.00 ATOM 609 CG2 THR 81 20.098 28.694 11.340 1.00 0.00 ATOM 610 OG1 THR 81 21.511 30.641 11.198 1.00 0.00 ATOM 611 O THR 81 21.633 31.782 8.195 1.00 0.00 ATOM 612 C THR 81 20.563 31.265 8.523 1.00 0.00 ATOM 613 N GLY 82 19.388 31.808 8.254 1.00 0.00 ATOM 614 CA GLY 82 19.289 33.218 7.854 1.00 0.00 ATOM 615 O GLY 82 19.327 33.793 10.191 1.00 0.00 ATOM 616 C GLY 82 18.991 34.119 9.055 1.00 0.00 ATOM 617 N GLN 83 18.353 35.249 8.771 1.00 0.00 ATOM 618 CA GLN 83 17.943 36.236 9.796 1.00 0.00 ATOM 619 CB GLN 83 17.219 37.417 9.145 1.00 0.00 ATOM 620 CG GLN 83 18.124 38.336 8.343 1.00 0.00 ATOM 621 CD GLN 83 17.353 39.430 7.627 1.00 0.00 ATOM 622 OE1 GLN 83 16.125 39.509 7.728 1.00 0.00 ATOM 623 NE2 GLN 83 18.068 40.277 6.898 1.00 0.00 ATOM 624 O GLN 83 17.295 36.004 12.094 1.00 0.00 ATOM 625 C GLN 83 17.020 35.726 10.933 1.00 0.00 ATOM 626 N THR 84 15.894 35.123 10.589 1.00 0.00 ATOM 627 CA THR 84 14.886 34.637 11.556 1.00 0.00 ATOM 628 CB THR 84 13.452 34.871 11.044 1.00 0.00 ATOM 629 CG2 THR 84 12.436 34.331 12.038 1.00 0.00 ATOM 630 OG1 THR 84 13.233 36.275 10.854 1.00 0.00 ATOM 631 O THR 84 15.232 32.366 10.874 1.00 0.00 ATOM 632 C THR 84 15.114 33.149 11.819 1.00 0.00 ATOM 633 N VAL 85 15.287 32.832 13.093 1.00 0.00 ATOM 634 CA VAL 85 15.593 31.465 13.547 1.00 0.00 ATOM 635 CB VAL 85 17.055 31.397 14.041 1.00 0.00 ATOM 636 CG1 VAL 85 17.428 29.993 14.477 1.00 0.00 ATOM 637 CG2 VAL 85 18.050 31.786 12.946 1.00 0.00 ATOM 638 O VAL 85 14.501 31.689 15.688 1.00 0.00 ATOM 639 C VAL 85 14.615 31.045 14.645 1.00 0.00 ATOM 640 N LEU 86 13.984 29.896 14.416 1.00 0.00 ATOM 641 CA LEU 86 13.146 29.252 15.424 1.00 0.00 ATOM 642 CB LEU 86 11.864 28.710 14.780 1.00 0.00 ATOM 643 CG LEU 86 10.920 27.965 15.732 1.00 0.00 ATOM 644 CD1 LEU 86 10.376 28.923 16.784 1.00 0.00 ATOM 645 CD2 LEU 86 9.785 27.339 14.937 1.00 0.00 ATOM 646 O LEU 86 14.363 27.153 15.500 1.00 0.00 ATOM 647 C LEU 86 13.924 28.127 16.124 1.00 0.00 ATOM 648 N LEU 87 14.036 28.305 17.428 1.00 0.00 ATOM 649 CA LEU 87 14.752 27.345 18.271 1.00 0.00 ATOM 650 CB LEU 87 15.867 28.076 19.034 1.00 0.00 ATOM 651 CG LEU 87 16.836 28.895 18.187 1.00 0.00 ATOM 652 CD1 LEU 87 17.861 29.532 19.108 1.00 0.00 ATOM 653 CD2 LEU 87 17.608 27.996 17.252 1.00 0.00 ATOM 654 O LEU 87 13.085 27.365 20.017 1.00 0.00 ATOM 655 C LEU 87 13.792 26.688 19.268 1.00 0.00 ATOM 656 N THR 88 13.860 25.365 19.245 1.00 0.00 ATOM 657 CA THR 88 13.205 24.504 20.242 1.00 0.00 ATOM 658 CB THR 88 12.689 23.198 19.609 1.00 0.00 ATOM 659 CG2 THR 88 12.038 22.316 20.663 1.00 0.00 ATOM 660 OG1 THR 88 11.730 23.506 18.588 1.00 0.00 ATOM 661 O THR 88 15.294 23.654 21.046 1.00 0.00 ATOM 662 C THR 88 14.257 24.240 21.319 1.00 0.00 ATOM 663 N LEU 89 13.968 24.754 22.510 1.00 0.00 ATOM 664 CA LEU 89 14.893 24.629 23.648 1.00 0.00 ATOM 665 CB LEU 89 15.275 26.017 24.173 1.00 0.00 ATOM 666 CG LEU 89 16.474 26.624 23.452 1.00 0.00 ATOM 667 CD1 LEU 89 16.035 27.467 22.265 1.00 0.00 ATOM 668 CD2 LEU 89 17.248 27.480 24.439 1.00 0.00 ATOM 669 O LEU 89 13.194 23.933 25.245 1.00 0.00 ATOM 670 C LEU 89 14.338 23.792 24.807 1.00 0.00 ATOM 671 N MET 90 15.215 22.986 25.369 1.00 0.00 ATOM 672 CA MET 90 14.899 22.221 26.587 1.00 0.00 ATOM 673 CB MET 90 15.300 20.758 26.411 1.00 0.00 ATOM 674 CG MET 90 15.239 19.930 27.686 1.00 0.00 ATOM 675 SD MET 90 13.562 19.761 28.327 1.00 0.00 ATOM 676 CE MET 90 12.869 18.599 27.155 1.00 0.00 ATOM 677 O MET 90 16.863 22.885 27.827 1.00 0.00 ATOM 678 C MET 90 15.635 22.883 27.763 1.00 0.00 ATOM 679 N ARG 91 14.837 23.465 28.660 1.00 0.00 ATOM 680 CA ARG 91 15.422 24.136 29.823 1.00 0.00 ATOM 681 CB ARG 91 14.792 25.497 30.079 1.00 0.00 ATOM 682 CG ARG 91 15.369 26.257 31.263 1.00 0.00 ATOM 683 CD ARG 91 15.151 27.726 31.213 1.00 0.00 ATOM 684 NE ARG 91 15.659 28.449 32.367 1.00 0.00 ATOM 685 CZ ARG 91 14.922 28.789 33.442 1.00 0.00 ATOM 686 NH1 ARG 91 13.639 28.508 33.501 1.00 0.00 ATOM 687 NH2 ARG 91 15.519 29.436 34.429 1.00 0.00 ATOM 688 O ARG 91 14.301 22.904 31.581 1.00 0.00 ATOM 689 C ARG 91 15.359 23.246 31.074 1.00 0.00 ATOM 690 N ARG 92 16.524 23.136 31.701 1.00 0.00 ATOM 691 CA ARG 92 16.670 22.363 32.946 1.00 0.00 ATOM 692 CB ARG 92 18.060 21.759 33.086 1.00 0.00 ATOM 693 CG ARG 92 18.407 20.705 32.047 1.00 0.00 ATOM 694 CD ARG 92 19.802 20.202 32.130 1.00 0.00 ATOM 695 NE ARG 92 20.820 21.192 31.818 1.00 0.00 ATOM 696 CZ ARG 92 22.147 20.985 31.927 1.00 0.00 ATOM 697 NH1 ARG 92 22.621 19.843 32.374 1.00 0.00 ATOM 698 NH2 ARG 92 22.962 21.972 31.595 1.00 0.00 ATOM 699 O ARG 92 16.183 22.631 35.290 1.00 0.00 ATOM 700 C ARG 92 16.306 23.173 34.193 1.00 0.00 ATOM 701 N GLY 93 16.221 24.493 34.035 1.00 0.00 ATOM 702 CA GLY 93 16.054 25.461 35.130 1.00 0.00 ATOM 703 O GLY 93 17.170 25.852 37.200 1.00 0.00 ATOM 704 C GLY 93 17.297 25.573 36.017 1.00 0.00 ATOM 705 N GLU 94 18.439 25.231 35.434 1.00 0.00 ATOM 706 CA GLU 94 19.739 25.300 36.111 1.00 0.00 ATOM 707 CB GLU 94 20.717 24.294 35.498 1.00 0.00 ATOM 708 CG GLU 94 20.322 22.837 35.691 1.00 0.00 ATOM 709 CD GLU 94 20.602 22.376 37.094 1.00 0.00 ATOM 710 OE1 GLU 94 21.142 23.144 37.854 1.00 0.00 ATOM 711 OE2 GLU 94 20.178 21.299 37.440 1.00 0.00 ATOM 712 O GLU 94 21.178 27.020 35.222 1.00 0.00 ATOM 713 C GLU 94 20.317 26.715 36.036 1.00 0.00 ATOM 714 N THR 95 19.800 27.559 36.924 1.00 0.00 ATOM 715 CA THR 95 20.336 28.930 37.099 1.00 0.00 ATOM 716 CB THR 95 19.619 29.675 38.241 1.00 0.00 ATOM 717 CG2 THR 95 20.220 31.059 38.434 1.00 0.00 ATOM 718 OG1 THR 95 18.226 29.802 37.931 1.00 0.00 ATOM 719 O THR 95 22.573 29.822 37.093 1.00 0.00 ATOM 720 C THR 95 21.851 28.881 37.386 1.00 0.00 ATOM 721 N SER 96 22.257 27.860 38.133 1.00 0.00 ATOM 722 CA SER 96 23.672 27.744 38.546 1.00 0.00 ATOM 723 CB SER 96 23.821 26.667 39.603 1.00 0.00 ATOM 724 OG SER 96 23.542 25.390 39.098 1.00 0.00 ATOM 725 O SER 96 25.895 27.520 37.685 1.00 0.00 ATOM 726 C SER 96 24.683 27.440 37.429 1.00 0.00 ATOM 727 N VAL 97 24.201 26.920 36.311 1.00 0.00 ATOM 728 CA VAL 97 25.034 26.700 35.113 1.00 0.00 ATOM 729 CB VAL 97 24.983 25.231 34.652 1.00 0.00 ATOM 730 CG1 VAL 97 25.810 25.040 33.389 1.00 0.00 ATOM 731 CG2 VAL 97 25.478 24.308 35.755 1.00 0.00 ATOM 732 O VAL 97 23.633 28.375 34.113 1.00 0.00 ATOM 733 C VAL 97 24.600 27.605 33.938 1.00 0.00 TER END