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 3 Wed Jul 26 13:16:43 2006 MODEL 3 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 30.821 22.579 4.516 1.00 0.00 ATOM 2 CA MET 1 30.509 22.566 5.922 1.00 0.00 ATOM 3 CB MET 1 30.134 23.971 6.400 1.00 0.00 ATOM 4 CG MET 1 31.290 24.957 6.398 1.00 0.00 ATOM 5 SD MET 1 30.791 26.615 6.905 1.00 0.00 ATOM 6 CE MET 1 30.622 26.391 8.673 1.00 0.00 ATOM 7 O MET 1 28.341 21.526 5.481 1.00 0.00 ATOM 8 C MET 1 29.333 21.638 6.243 1.00 0.00 ATOM 9 N ALA 2 29.449 20.907 7.351 1.00 0.00 ATOM 10 CA ALA 2 28.367 20.020 7.790 1.00 0.00 ATOM 11 CB ALA 2 28.693 19.251 9.029 1.00 0.00 ATOM 12 O ALA 2 25.994 20.403 7.627 1.00 0.00 ATOM 13 C ALA 2 27.082 20.798 8.045 1.00 0.00 ATOM 14 N HIS 3 27.227 21.961 8.696 1.00 0.00 ATOM 15 CA HIS 3 26.064 22.816 8.963 1.00 0.00 ATOM 16 CB HIS 3 26.464 23.978 9.876 1.00 0.00 ATOM 17 CG HIS 3 25.459 25.061 9.930 1.00 0.00 ATOM 18 CD2 HIS 3 24.239 25.105 10.505 1.00 0.00 ATOM 19 ND1 HIS 3 25.628 26.259 9.272 1.00 0.00 ATOM 20 CE1 HIS 3 24.560 27.012 9.476 1.00 0.00 ATOM 21 NE2 HIS 3 23.700 26.334 10.213 1.00 0.00 ATOM 22 O HIS 3 24.196 23.427 7.595 1.00 0.00 ATOM 23 C HIS 3 25.425 23.337 7.663 1.00 0.00 ATOM 24 N HIS 4 26.216 23.671 6.637 1.00 0.00 ATOM 25 CA HIS 4 25.676 24.138 5.371 1.00 0.00 ATOM 26 CB HIS 4 26.801 24.586 4.425 1.00 0.00 ATOM 27 CG HIS 4 26.339 25.060 3.076 1.00 0.00 ATOM 28 CD2 HIS 4 25.998 24.401 1.938 1.00 0.00 ATOM 29 ND1 HIS 4 26.139 26.397 2.811 1.00 0.00 ATOM 30 CE1 HIS 4 25.725 26.543 1.569 1.00 0.00 ATOM 31 NE2 HIS 4 25.611 25.359 1.006 1.00 0.00 ATOM 32 O HIS 4 23.618 23.345 4.355 1.00 0.00 ATOM 33 C HIS 4 24.762 23.060 4.747 1.00 0.00 ATOM 34 N HIS 5 25.254 21.832 4.686 1.00 0.00 ATOM 35 CA HIS 5 24.478 20.723 4.140 1.00 0.00 ATOM 36 CB HIS 5 25.107 19.392 4.366 1.00 0.00 ATOM 37 CG HIS 5 26.219 19.112 3.403 1.00 0.00 ATOM 38 CD2 HIS 5 27.516 18.784 3.609 1.00 0.00 ATOM 39 ND1 HIS 5 26.041 19.138 2.037 1.00 0.00 ATOM 40 CE1 HIS 5 27.180 18.840 1.441 1.00 0.00 ATOM 41 NE2 HIS 5 28.092 18.619 2.372 1.00 0.00 ATOM 42 O HIS 5 22.105 20.394 4.395 1.00 0.00 ATOM 43 C HIS 5 23.209 20.504 4.946 1.00 0.00 ATOM 44 N HIS 6 23.390 20.329 6.322 1.00 0.00 ATOM 45 CA HIS 6 22.215 20.088 7.164 1.00 0.00 ATOM 46 CB HIS 6 22.584 19.545 8.541 1.00 0.00 ATOM 47 CG HIS 6 22.967 18.101 8.534 1.00 0.00 ATOM 48 CD2 HIS 6 24.106 17.481 8.923 1.00 0.00 ATOM 49 ND1 HIS 6 22.133 17.113 8.058 1.00 0.00 ATOM 50 CE1 HIS 6 22.743 15.945 8.148 1.00 0.00 ATOM 51 NE2 HIS 6 23.943 16.140 8.669 1.00 0.00 ATOM 52 O HIS 6 22.195 22.337 7.968 1.00 0.00 ATOM 53 C HIS 6 21.596 21.464 7.347 1.00 0.00 ATOM 54 N HIS 7 20.403 21.659 6.808 1.00 0.00 ATOM 55 CA HIS 7 19.746 22.964 6.862 1.00 0.00 ATOM 56 CB HIS 7 18.443 22.934 6.060 1.00 0.00 ATOM 57 CG HIS 7 17.738 24.253 6.005 1.00 0.00 ATOM 58 CD2 HIS 7 16.506 24.796 6.562 1.00 0.00 ATOM 59 ND1 HIS 7 18.226 25.332 5.300 1.00 0.00 ATOM 60 CE1 HIS 7 17.379 26.367 5.439 1.00 0.00 ATOM 61 NE2 HIS 7 16.344 26.052 6.195 1.00 0.00 ATOM 62 O HIS 7 19.603 24.608 8.577 1.00 0.00 ATOM 63 C HIS 7 19.440 23.431 8.286 1.00 0.00 ATOM 64 N HIS 8 18.977 22.524 9.151 1.00 0.00 ATOM 65 CA HIS 8 18.802 22.827 10.571 1.00 0.00 ATOM 66 CB HIS 8 20.151 22.901 11.241 1.00 0.00 ATOM 67 CG HIS 8 20.865 21.592 11.254 1.00 0.00 ATOM 68 CD2 HIS 8 20.411 20.322 11.155 1.00 0.00 ATOM 69 ND1 HIS 8 22.228 21.507 11.371 1.00 0.00 ATOM 70 CE1 HIS 8 22.593 20.238 11.343 1.00 0.00 ATOM 71 NE2 HIS 8 21.516 19.493 11.205 1.00 0.00 ATOM 72 O HIS 8 18.301 24.975 11.504 1.00 0.00 ATOM 73 C HIS 8 17.909 24.037 10.813 1.00 0.00 ATOM 74 N SER 9 16.703 24.016 10.092 1.00 0.00 ATOM 75 CA SER 9 15.762 25.120 10.211 1.00 0.00 ATOM 76 CB SER 9 14.682 24.972 9.136 1.00 0.00 ATOM 77 OG SER 9 13.918 23.795 9.341 1.00 0.00 ATOM 78 O SER 9 14.856 26.156 12.205 1.00 0.00 ATOM 79 C SER 9 15.090 25.107 11.596 1.00 0.00 ATOM 80 N LEU 10 14.776 23.900 12.084 1.00 0.00 ATOM 81 CA LEU 10 14.140 23.747 13.400 1.00 0.00 ATOM 82 CB LEU 10 13.879 22.226 13.575 1.00 0.00 ATOM 83 CG LEU 10 12.579 21.594 13.229 1.00 0.00 ATOM 84 CD1 LEU 10 11.433 22.503 12.827 1.00 0.00 ATOM 85 CD2 LEU 10 12.672 20.325 12.413 1.00 0.00 ATOM 86 O LEU 10 14.534 24.766 15.532 1.00 0.00 ATOM 87 C LEU 10 15.033 24.250 14.530 1.00 0.00 ATOM 88 N ASN 11 16.352 24.032 14.411 1.00 0.00 ATOM 89 CA ASN 11 17.294 24.561 15.411 1.00 0.00 ATOM 90 CB ASN 11 18.010 25.765 14.322 1.00 0.00 ATOM 91 CG ASN 11 16.981 26.880 14.262 1.00 0.00 ATOM 92 ND2 ASN 11 17.041 27.678 13.203 1.00 0.00 ATOM 93 OD1 ASN 11 16.152 27.031 15.159 1.00 0.00 ATOM 94 O ASN 11 16.793 24.952 17.743 1.00 0.00 ATOM 95 C ASN 11 16.893 24.143 16.822 1.00 0.00 ATOM 96 N GLN 12 16.596 22.789 16.940 1.00 0.00 ATOM 97 CA GLN 12 16.294 22.163 18.212 1.00 0.00 ATOM 98 CB GLN 12 15.745 20.745 18.047 1.00 0.00 ATOM 99 CG GLN 12 14.354 20.686 17.435 1.00 0.00 ATOM 100 CD GLN 12 13.868 19.265 17.230 1.00 0.00 ATOM 101 OE1 GLN 12 14.587 18.306 17.506 1.00 0.00 ATOM 102 NE2 GLN 12 12.641 19.127 16.740 1.00 0.00 ATOM 103 O GLN 12 17.375 22.146 20.365 1.00 0.00 ATOM 104 C GLN 12 17.513 22.060 19.135 1.00 0.00 ATOM 105 N ILE 13 18.694 21.854 18.694 1.00 0.00 ATOM 106 CA ILE 13 19.914 21.719 19.493 1.00 0.00 ATOM 107 CB ILE 13 20.608 20.351 19.265 1.00 0.00 ATOM 108 CG1 ILE 13 19.746 19.227 19.817 1.00 0.00 ATOM 109 CG2 ILE 13 21.975 20.321 19.939 1.00 0.00 ATOM 110 CD1 ILE 13 20.302 17.866 19.419 1.00 0.00 ATOM 111 O ILE 13 21.154 22.923 17.827 1.00 0.00 ATOM 112 C ILE 13 20.836 22.856 19.019 1.00 0.00 ATOM 113 N ASN 14 21.236 23.780 19.906 1.00 0.00 ATOM 114 CA ASN 14 22.123 24.934 19.568 1.00 0.00 ATOM 115 CB ASN 14 21.753 26.165 20.395 1.00 0.00 ATOM 116 CG ASN 14 22.568 27.387 20.019 1.00 0.00 ATOM 117 ND2 ASN 14 21.922 28.354 19.377 1.00 0.00 ATOM 118 OD1 ASN 14 23.764 27.458 20.303 1.00 0.00 ATOM 119 O ASN 14 23.833 24.008 20.973 1.00 0.00 ATOM 120 C ASN 14 23.567 24.519 19.873 1.00 0.00 ATOM 121 N ILE 15 24.467 24.724 18.907 1.00 0.00 ATOM 122 CA ILE 15 25.902 24.358 19.016 1.00 0.00 ATOM 123 CB ILE 15 26.299 23.398 17.913 1.00 0.00 ATOM 124 CG1 ILE 15 25.543 22.090 18.139 1.00 0.00 ATOM 125 CG2 ILE 15 27.854 23.159 17.969 1.00 0.00 ATOM 126 CD1 ILE 15 25.697 21.067 17.046 1.00 0.00 ATOM 127 O ILE 15 26.689 26.330 17.853 1.00 0.00 ATOM 128 C ILE 15 26.785 25.605 18.856 1.00 0.00 ATOM 129 N GLU 16 27.613 25.857 19.875 1.00 0.00 ATOM 130 CA GLU 16 28.561 26.980 19.934 1.00 0.00 ATOM 131 CB GLU 16 28.421 27.721 21.265 1.00 0.00 ATOM 132 CG GLU 16 27.080 28.411 21.454 1.00 0.00 ATOM 133 CD GLU 16 27.008 29.202 22.745 1.00 0.00 ATOM 134 OE1 GLU 16 27.990 29.170 23.517 1.00 0.00 ATOM 135 OE2 GLU 16 25.971 29.855 22.985 1.00 0.00 ATOM 136 O GLU 16 30.351 25.390 20.203 1.00 0.00 ATOM 137 C GLU 16 30.021 26.502 19.794 1.00 0.00 ATOM 138 N ILE 17 30.873 27.373 19.232 1.00 0.00 ATOM 139 CA ILE 17 32.305 27.094 19.013 1.00 0.00 ATOM 140 CB ILE 17 32.581 26.701 17.555 1.00 0.00 ATOM 141 CG1 ILE 17 32.304 27.890 16.636 1.00 0.00 ATOM 142 CG2 ILE 17 31.734 25.502 17.166 1.00 0.00 ATOM 143 CD1 ILE 17 32.783 27.682 15.215 1.00 0.00 ATOM 144 O ILE 17 32.863 29.428 19.243 1.00 0.00 ATOM 145 C ILE 17 33.205 28.258 19.473 1.00 0.00 ATOM 146 N ALA 18 34.362 27.943 20.072 1.00 0.00 ATOM 147 CA ALA 18 35.315 28.958 20.563 1.00 0.00 ATOM 148 CB ALA 18 35.343 28.892 22.083 1.00 0.00 ATOM 149 O ALA 18 37.218 27.671 19.791 1.00 0.00 ATOM 150 C ALA 18 36.775 28.783 20.122 1.00 0.00 ATOM 151 N TYR 19 37.501 29.908 20.072 1.00 0.00 ATOM 152 CA TYR 19 38.943 29.955 19.806 1.00 0.00 ATOM 153 CB TYR 19 39.732 29.249 20.910 1.00 0.00 ATOM 154 CG TYR 19 39.573 29.878 22.275 1.00 0.00 ATOM 155 CD1 TYR 19 38.778 29.280 23.246 1.00 0.00 ATOM 156 CD2 TYR 19 40.219 31.066 22.591 1.00 0.00 ATOM 157 CE1 TYR 19 38.626 29.849 24.496 1.00 0.00 ATOM 158 CE2 TYR 19 40.079 31.649 23.836 1.00 0.00 ATOM 159 CZ TYR 19 39.274 31.028 24.792 1.00 0.00 ATOM 160 OH TYR 19 39.125 31.595 26.036 1.00 0.00 ATOM 161 O TYR 19 38.680 29.559 17.452 1.00 0.00 ATOM 162 C TYR 19 39.317 29.271 18.472 1.00 0.00 ATOM 163 N ALA 20 40.445 28.442 18.379 1.00 0.00 ATOM 164 CA ALA 20 40.870 27.831 17.102 1.00 0.00 ATOM 165 CB ALA 20 42.029 26.874 17.333 1.00 0.00 ATOM 166 O ALA 20 39.705 26.951 15.188 1.00 0.00 ATOM 167 C ALA 20 39.751 27.043 16.427 1.00 0.00 ATOM 168 N PHE 21 38.903 26.383 17.226 1.00 0.00 ATOM 169 CA PHE 21 37.794 25.612 16.668 1.00 0.00 ATOM 170 CB PHE 21 36.995 24.936 17.785 1.00 0.00 ATOM 171 CG PHE 21 37.638 23.688 18.319 1.00 0.00 ATOM 172 CD1 PHE 21 38.369 23.718 19.494 1.00 0.00 ATOM 173 CD2 PHE 21 37.511 22.485 17.647 1.00 0.00 ATOM 174 CE1 PHE 21 38.960 22.568 19.985 1.00 0.00 ATOM 175 CE2 PHE 21 38.102 21.337 18.139 1.00 0.00 ATOM 176 CZ PHE 21 38.824 21.375 19.303 1.00 0.00 ATOM 177 O PHE 21 36.489 26.241 14.724 1.00 0.00 ATOM 178 C PHE 21 36.849 26.532 15.876 1.00 0.00 ATOM 179 N PRO 22 36.444 27.641 16.506 1.00 0.00 ATOM 180 CA PRO 22 35.611 28.669 15.876 1.00 0.00 ATOM 181 CB PRO 22 35.613 29.778 16.919 1.00 0.00 ATOM 182 CG PRO 22 35.572 28.987 18.204 1.00 0.00 ATOM 183 CD PRO 22 36.598 27.894 17.942 1.00 0.00 ATOM 184 O PRO 22 35.512 29.455 13.604 1.00 0.00 ATOM 185 C PRO 22 36.220 29.238 14.593 1.00 0.00 ATOM 186 N GLU 23 37.550 29.487 14.610 1.00 0.00 ATOM 187 CA GLU 23 38.230 30.037 13.438 1.00 0.00 ATOM 188 CB GLU 23 39.697 30.306 13.777 1.00 0.00 ATOM 189 CG GLU 23 39.913 31.485 14.712 1.00 0.00 ATOM 190 CD GLU 23 41.362 31.646 15.123 1.00 0.00 ATOM 191 OE1 GLU 23 42.187 30.791 14.738 1.00 0.00 ATOM 192 OE2 GLU 23 41.674 32.626 15.832 1.00 0.00 ATOM 193 O GLU 23 37.816 29.425 11.138 1.00 0.00 ATOM 194 C GLU 23 38.164 29.041 12.265 1.00 0.00 ATOM 195 N ARG 24 38.436 27.767 12.532 1.00 0.00 ATOM 196 CA ARG 24 38.456 26.761 11.467 1.00 0.00 ATOM 197 CB ARG 24 39.095 25.467 11.972 1.00 0.00 ATOM 198 CG ARG 24 40.588 25.573 12.232 1.00 0.00 ATOM 199 CD ARG 24 41.140 24.284 12.820 1.00 0.00 ATOM 200 NE ARG 24 42.585 24.352 13.031 1.00 0.00 ATOM 201 CZ ARG 24 43.293 23.416 13.655 1.00 0.00 ATOM 202 NH1 ARG 24 44.603 23.564 13.800 1.00 0.00 ATOM 203 NH2 ARG 24 42.690 22.337 14.134 1.00 0.00 ATOM 204 O ARG 24 36.951 26.227 9.717 1.00 0.00 ATOM 205 C ARG 24 37.083 26.433 10.924 1.00 0.00 ATOM 206 N TYR 25 36.066 26.169 11.786 1.00 0.00 ATOM 207 CA TYR 25 34.713 25.918 11.312 1.00 0.00 ATOM 208 CB TYR 25 33.780 25.560 12.470 1.00 0.00 ATOM 209 CG TYR 25 32.394 25.141 12.034 1.00 0.00 ATOM 210 CD1 TYR 25 32.172 23.888 11.477 1.00 0.00 ATOM 211 CD2 TYR 25 31.312 26.001 12.180 1.00 0.00 ATOM 212 CE1 TYR 25 30.910 23.496 11.076 1.00 0.00 ATOM 213 CE2 TYR 25 30.042 25.626 11.783 1.00 0.00 ATOM 214 CZ TYR 25 29.847 24.362 11.228 1.00 0.00 ATOM 215 OH TYR 25 28.589 23.975 10.828 1.00 0.00 ATOM 216 O TYR 25 33.286 26.910 9.639 1.00 0.00 ATOM 217 C TYR 25 34.102 27.106 10.545 1.00 0.00 ATOM 218 N TYR 26 34.492 28.336 10.900 1.00 0.00 ATOM 219 CA TYR 26 34.044 29.504 10.152 1.00 0.00 ATOM 220 CB TYR 26 33.861 29.161 8.673 1.00 0.00 ATOM 221 CG TYR 26 35.136 28.728 7.983 1.00 0.00 ATOM 222 CD1 TYR 26 35.351 27.395 7.657 1.00 0.00 ATOM 223 CD2 TYR 26 36.121 29.654 7.661 1.00 0.00 ATOM 224 CE1 TYR 26 36.512 26.991 7.027 1.00 0.00 ATOM 225 CE2 TYR 26 37.288 29.267 7.031 1.00 0.00 ATOM 226 CZ TYR 26 37.478 27.923 6.714 1.00 0.00 ATOM 227 OH TYR 26 38.635 27.522 6.086 1.00 0.00 ATOM 228 O TYR 26 32.229 31.027 9.823 1.00 0.00 ATOM 229 C TYR 26 32.739 30.161 10.559 1.00 0.00 ATOM 230 N LEU 27 32.205 29.752 11.705 1.00 0.00 ATOM 231 CA LEU 27 30.994 30.335 12.272 1.00 0.00 ATOM 232 CB LEU 27 29.757 29.600 11.751 1.00 0.00 ATOM 233 CG LEU 27 28.409 30.103 12.271 1.00 0.00 ATOM 234 CD1 LEU 27 28.227 31.565 11.898 1.00 0.00 ATOM 235 CD2 LEU 27 27.289 29.267 11.666 1.00 0.00 ATOM 236 O LEU 27 31.277 29.128 14.322 1.00 0.00 ATOM 237 C LEU 27 30.955 30.189 13.794 1.00 0.00 ATOM 238 N LYS 28 30.434 31.197 14.503 1.00 0.00 ATOM 239 CA LYS 28 30.389 31.166 15.966 1.00 0.00 ATOM 240 CB LYS 28 30.105 32.578 16.483 1.00 0.00 ATOM 241 CG LYS 28 31.188 33.590 16.150 1.00 0.00 ATOM 242 CD LYS 28 30.851 34.964 16.706 1.00 0.00 ATOM 243 CE LYS 28 31.956 35.966 16.412 1.00 0.00 ATOM 244 NZ LYS 28 31.648 37.311 16.970 1.00 0.00 ATOM 245 O LYS 28 29.531 29.664 17.663 1.00 0.00 ATOM 246 C LYS 28 29.345 30.196 16.544 1.00 0.00 ATOM 247 N SER 29 28.261 29.962 15.801 1.00 0.00 ATOM 248 CA SER 29 27.117 29.213 16.319 1.00 0.00 ATOM 249 CB SER 29 26.298 30.117 17.267 1.00 0.00 ATOM 250 OG SER 29 25.499 31.025 16.531 1.00 0.00 ATOM 251 O SER 29 26.198 29.302 14.113 1.00 0.00 ATOM 252 C SER 29 26.272 28.672 15.180 1.00 0.00 ATOM 253 N PHE 30 25.620 27.547 15.403 1.00 0.00 ATOM 254 CA PHE 30 24.668 26.995 14.424 1.00 0.00 ATOM 255 CB PHE 30 25.395 26.153 13.374 1.00 0.00 ATOM 256 CG PHE 30 26.080 24.942 13.938 1.00 0.00 ATOM 257 CD1 PHE 30 25.437 23.717 13.974 1.00 0.00 ATOM 258 CD2 PHE 30 27.370 25.026 14.432 1.00 0.00 ATOM 259 CE1 PHE 30 26.068 22.602 14.491 1.00 0.00 ATOM 260 CE2 PHE 30 28.001 23.912 14.951 1.00 0.00 ATOM 261 CZ PHE 30 27.356 22.702 14.982 1.00 0.00 ATOM 262 O PHE 30 23.615 25.997 16.330 1.00 0.00 ATOM 263 C PHE 30 23.588 26.152 15.108 1.00 0.00 ATOM 264 N GLN 31 22.584 25.706 14.355 1.00 0.00 ATOM 265 CA GLN 31 21.501 24.903 14.961 1.00 0.00 ATOM 266 CB GLN 31 20.259 25.783 15.152 1.00 0.00 ATOM 267 CG GLN 31 20.477 26.846 16.240 1.00 0.00 ATOM 268 CD GLN 31 19.287 27.740 16.464 1.00 0.00 ATOM 269 OE1 GLN 31 19.317 28.912 16.106 1.00 0.00 ATOM 270 NE2 GLN 31 18.234 27.203 17.074 1.00 0.00 ATOM 271 O GLN 31 21.533 23.542 12.997 1.00 0.00 ATOM 272 C GLN 31 21.394 23.577 14.225 1.00 0.00 ATOM 273 N VAL 32 21.129 22.502 14.969 1.00 0.00 ATOM 274 CA VAL 32 20.930 21.165 14.413 1.00 0.00 ATOM 275 CB VAL 32 22.122 20.251 14.755 1.00 0.00 ATOM 276 CG1 VAL 32 23.402 20.791 14.133 1.00 0.00 ATOM 277 CG2 VAL 32 22.318 20.171 16.261 1.00 0.00 ATOM 278 O VAL 32 19.300 20.819 16.129 1.00 0.00 ATOM 279 C VAL 32 19.676 20.519 15.001 1.00 0.00 ATOM 280 N ASP 33 19.007 19.623 14.243 1.00 0.00 ATOM 281 CA ASP 33 17.814 18.954 14.754 1.00 0.00 ATOM 282 CB ASP 33 17.165 18.091 13.669 1.00 0.00 ATOM 283 CG ASP 33 16.413 18.914 12.643 1.00 0.00 ATOM 284 OD1 ASP 33 16.249 20.133 12.863 1.00 0.00 ATOM 285 OD2 ASP 33 15.985 18.340 11.620 1.00 0.00 ATOM 286 O ASP 33 19.361 17.536 15.926 1.00 0.00 ATOM 287 C ASP 33 18.236 18.027 15.884 1.00 0.00 ATOM 288 N GLU 34 17.332 17.681 16.788 1.00 0.00 ATOM 289 CA GLU 34 17.635 16.797 17.917 1.00 0.00 ATOM 290 CB GLU 34 17.431 17.397 19.230 1.00 0.00 ATOM 291 CG GLU 34 15.996 17.583 19.690 1.00 0.00 ATOM 292 CD GLU 34 15.529 16.456 20.593 1.00 0.00 ATOM 293 OE1 GLU 34 14.302 16.281 20.746 1.00 0.00 ATOM 294 OE2 GLU 34 16.394 15.752 21.159 1.00 0.00 ATOM 295 O GLU 34 16.748 14.563 18.101 1.00 0.00 ATOM 296 C GLU 34 17.542 15.315 17.528 1.00 0.00 ATOM 297 N GLY 35 18.379 14.908 16.574 1.00 0.00 ATOM 298 CA GLY 35 18.406 13.534 16.070 1.00 0.00 ATOM 299 O GLY 35 20.141 11.980 15.573 1.00 0.00 ATOM 300 C GLY 35 19.716 12.812 16.371 1.00 0.00 ATOM 301 N ILE 36 20.358 13.114 17.495 1.00 0.00 ATOM 302 CA ILE 36 21.602 12.430 17.847 1.00 0.00 ATOM 303 CB ILE 36 22.885 13.237 17.494 1.00 0.00 ATOM 304 CG1 ILE 36 22.977 13.558 16.023 1.00 0.00 ATOM 305 CG2 ILE 36 24.103 12.444 17.890 1.00 0.00 ATOM 306 CD1 ILE 36 23.969 14.725 15.754 1.00 0.00 ATOM 307 O ILE 36 21.200 12.777 20.184 1.00 0.00 ATOM 308 C ILE 36 21.560 11.988 19.312 1.00 0.00 ATOM 309 N THR 37 21.912 10.727 19.581 1.00 0.00 ATOM 310 CA THR 37 21.822 10.197 20.947 1.00 0.00 ATOM 311 CB THR 37 22.072 8.678 20.983 1.00 0.00 ATOM 312 CG2 THR 37 21.034 7.947 20.145 1.00 0.00 ATOM 313 OG1 THR 37 23.376 8.392 20.461 1.00 0.00 ATOM 314 O THR 37 22.365 11.243 23.036 1.00 0.00 ATOM 315 C THR 37 22.773 10.837 21.937 1.00 0.00 ATOM 316 N VAL 38 24.087 11.017 21.516 1.00 0.00 ATOM 317 CA VAL 38 25.099 11.620 22.375 1.00 0.00 ATOM 318 CB VAL 38 26.101 10.497 22.704 1.00 0.00 ATOM 319 CG1 VAL 38 25.409 9.368 23.452 1.00 0.00 ATOM 320 CG2 VAL 38 26.704 9.930 21.428 1.00 0.00 ATOM 321 O VAL 38 25.804 13.038 20.557 1.00 0.00 ATOM 322 C VAL 38 25.908 12.756 21.757 1.00 0.00 ATOM 323 N GLN 39 26.729 13.397 22.597 1.00 0.00 ATOM 324 CA GLN 39 27.679 14.410 22.132 1.00 0.00 ATOM 325 CB GLN 39 28.569 14.879 23.283 1.00 0.00 ATOM 326 CG GLN 39 29.525 16.001 22.912 1.00 0.00 ATOM 327 CD GLN 39 28.809 17.301 22.608 1.00 0.00 ATOM 328 OE1 GLN 39 27.913 17.715 23.344 1.00 0.00 ATOM 329 NE2 GLN 39 29.201 17.950 21.518 1.00 0.00 ATOM 330 O GLN 39 28.840 14.476 19.996 1.00 0.00 ATOM 331 C GLN 39 28.585 13.827 21.017 1.00 0.00 ATOM 332 N THR 40 29.090 12.605 21.218 1.00 0.00 ATOM 333 CA THR 40 29.970 11.967 20.216 1.00 0.00 ATOM 334 CB THR 40 30.426 10.569 20.674 1.00 0.00 ATOM 335 CG2 THR 40 31.296 9.919 19.609 1.00 0.00 ATOM 336 OG1 THR 40 31.183 10.684 21.885 1.00 0.00 ATOM 337 O THR 40 29.905 12.026 17.809 1.00 0.00 ATOM 338 C THR 40 29.286 11.782 18.854 1.00 0.00 ATOM 339 N ALA 41 28.031 11.332 18.852 1.00 0.00 ATOM 340 CA ALA 41 27.291 11.183 17.591 1.00 0.00 ATOM 341 CB ALA 41 25.900 10.630 17.855 1.00 0.00 ATOM 342 O ALA 41 27.394 12.685 15.689 1.00 0.00 ATOM 343 C ALA 41 27.185 12.557 16.894 1.00 0.00 ATOM 344 N ILE 42 26.866 13.599 17.652 1.00 0.00 ATOM 345 CA ILE 42 26.797 14.941 17.070 1.00 0.00 ATOM 346 CB ILE 42 26.282 15.947 18.119 1.00 0.00 ATOM 347 CG1 ILE 42 24.779 15.854 18.272 1.00 0.00 ATOM 348 CG2 ILE 42 26.568 17.387 17.664 1.00 0.00 ATOM 349 CD1 ILE 42 24.334 16.367 19.644 1.00 0.00 ATOM 350 O ILE 42 28.256 15.926 15.398 1.00 0.00 ATOM 351 C ILE 42 28.178 15.387 16.505 1.00 0.00 ATOM 352 N THR 43 29.249 15.164 17.271 1.00 0.00 ATOM 353 CA THR 43 30.615 15.499 16.830 1.00 0.00 ATOM 354 CB THR 43 31.668 15.030 17.850 1.00 0.00 ATOM 355 CG2 THR 43 33.071 15.349 17.353 1.00 0.00 ATOM 356 OG1 THR 43 31.457 15.698 19.100 1.00 0.00 ATOM 357 O THR 43 31.528 15.438 14.611 1.00 0.00 ATOM 358 C THR 43 30.962 14.815 15.508 1.00 0.00 ATOM 359 N GLN 44 30.610 13.499 15.355 1.00 0.00 ATOM 360 CA GLN 44 30.895 12.773 14.119 1.00 0.00 ATOM 361 CB GLN 44 30.506 11.303 14.284 1.00 0.00 ATOM 362 CG GLN 44 31.421 10.519 15.210 1.00 0.00 ATOM 363 CD GLN 44 30.941 9.099 15.439 1.00 0.00 ATOM 364 OE1 GLN 44 29.866 8.715 14.975 1.00 0.00 ATOM 365 NE2 GLN 44 31.737 8.315 16.155 1.00 0.00 ATOM 366 O GLN 44 30.582 13.456 11.816 1.00 0.00 ATOM 367 C GLN 44 30.083 13.350 12.933 1.00 0.00 ATOM 368 N SER 45 28.808 13.670 13.169 1.00 0.00 ATOM 369 CA SER 45 27.966 14.268 12.124 1.00 0.00 ATOM 370 CB SER 45 26.562 14.548 12.662 1.00 0.00 ATOM 371 OG SER 45 25.906 13.348 13.032 1.00 0.00 ATOM 372 O SER 45 28.620 15.834 10.394 1.00 0.00 ATOM 373 C SER 45 28.561 15.591 11.615 1.00 0.00 ATOM 374 N GLY 46 30.243 17.172 7.077 1.00 0.00 ATOM 375 CA GLY 46 29.735 18.057 6.043 1.00 0.00 ATOM 376 O GLY 46 30.662 19.724 4.590 1.00 0.00 ATOM 377 C GLY 46 30.871 18.873 5.451 1.00 0.00 ATOM 378 N ILE 47 32.159 18.675 5.934 1.00 0.00 ATOM 379 CA ILE 47 33.318 19.410 5.444 1.00 0.00 ATOM 380 CB ILE 47 33.238 20.940 5.285 1.00 0.00 ATOM 381 CG1 ILE 47 34.142 21.405 4.141 1.00 0.00 ATOM 382 CG2 ILE 47 33.682 21.632 6.564 1.00 0.00 ATOM 383 CD1 ILE 47 33.873 22.824 3.689 1.00 0.00 ATOM 384 O ILE 47 34.787 18.734 7.216 1.00 0.00 ATOM 385 C ILE 47 34.687 19.095 6.043 1.00 0.00 ATOM 386 N LEU 48 35.764 19.298 5.118 1.00 0.00 ATOM 387 CA LEU 48 37.110 19.011 5.609 1.00 0.00 ATOM 388 CB LEU 48 38.085 19.174 4.443 1.00 0.00 ATOM 389 CG LEU 48 38.000 18.122 3.335 1.00 0.00 ATOM 390 CD1 LEU 48 38.891 18.501 2.162 1.00 0.00 ATOM 391 CD2 LEU 48 38.444 16.761 3.851 1.00 0.00 ATOM 392 O LEU 48 38.173 19.544 7.722 1.00 0.00 ATOM 393 C LEU 48 37.509 19.919 6.763 1.00 0.00 ATOM 394 N SER 49 37.126 21.236 6.693 1.00 0.00 ATOM 395 CA SER 49 37.400 22.235 7.711 1.00 0.00 ATOM 396 CB SER 49 36.926 23.628 7.296 1.00 0.00 ATOM 397 OG SER 49 37.655 24.102 6.176 1.00 0.00 ATOM 398 O SER 49 37.304 21.993 10.087 1.00 0.00 ATOM 399 C SER 49 36.708 21.864 9.018 1.00 0.00 ATOM 400 N GLN 50 35.438 21.395 8.951 1.00 0.00 ATOM 401 CA GLN 50 34.718 21.016 10.170 1.00 0.00 ATOM 402 CB GLN 50 33.261 20.694 9.831 1.00 0.00 ATOM 403 CG GLN 50 32.413 20.313 11.034 1.00 0.00 ATOM 404 CD GLN 50 30.966 20.049 10.667 1.00 0.00 ATOM 405 OE1 GLN 50 30.598 20.082 9.494 1.00 0.00 ATOM 406 NE2 GLN 50 30.141 19.785 11.673 1.00 0.00 ATOM 407 O GLN 50 35.485 19.663 12.012 1.00 0.00 ATOM 408 C GLN 50 35.359 19.755 10.797 1.00 0.00 ATOM 409 N PHE 51 35.838 18.779 9.912 1.00 0.00 ATOM 410 CA PHE 51 36.518 17.582 10.442 1.00 0.00 ATOM 411 CB PHE 51 36.877 16.622 9.307 1.00 0.00 ATOM 412 CG PHE 51 35.685 15.964 8.671 1.00 0.00 ATOM 413 CD1 PHE 51 34.450 15.983 9.296 1.00 0.00 ATOM 414 CD2 PHE 51 35.799 15.326 7.448 1.00 0.00 ATOM 415 CE1 PHE 51 33.353 15.378 8.711 1.00 0.00 ATOM 416 CE2 PHE 51 34.702 14.721 6.863 1.00 0.00 ATOM 417 CZ PHE 51 33.484 14.746 7.490 1.00 0.00 ATOM 418 O PHE 51 38.064 17.489 12.300 1.00 0.00 ATOM 419 C PHE 51 37.809 17.960 11.188 1.00 0.00 ATOM 420 N PRO 52 38.621 18.831 10.588 1.00 0.00 ATOM 421 CA PRO 52 39.849 19.264 11.236 1.00 0.00 ATOM 422 CB PRO 52 40.519 20.136 10.187 1.00 0.00 ATOM 423 CG PRO 52 39.959 19.639 8.887 1.00 0.00 ATOM 424 CD PRO 52 38.550 19.287 9.187 1.00 0.00 ATOM 425 O PRO 52 40.274 19.728 13.534 1.00 0.00 ATOM 426 C PRO 52 39.574 19.972 12.559 1.00 0.00 ATOM 427 N GLU 53 38.552 20.814 12.621 1.00 0.00 ATOM 428 CA GLU 53 38.212 21.525 13.851 1.00 0.00 ATOM 429 CB GLU 53 36.661 22.185 13.617 1.00 0.00 ATOM 430 CG GLU 53 36.286 23.406 14.510 1.00 0.00 ATOM 431 CD GLU 53 34.813 23.723 14.493 1.00 0.00 ATOM 432 OE1 GLU 53 34.093 23.068 13.700 1.00 0.00 ATOM 433 OE2 GLU 53 34.322 24.612 15.256 1.00 0.00 ATOM 434 O GLU 53 37.986 20.911 16.162 1.00 0.00 ATOM 435 C GLU 53 37.699 20.643 14.989 1.00 0.00 ATOM 436 N ILE 54 36.941 19.609 14.634 1.00 0.00 ATOM 437 CA ILE 54 36.238 18.787 15.614 1.00 0.00 ATOM 438 CB ILE 54 34.771 18.546 15.211 1.00 0.00 ATOM 439 CG1 ILE 54 34.699 17.788 13.884 1.00 0.00 ATOM 440 CG2 ILE 54 34.039 19.870 15.050 1.00 0.00 ATOM 441 CD1 ILE 54 33.309 17.313 13.527 1.00 0.00 ATOM 442 O ILE 54 36.468 16.763 16.848 1.00 0.00 ATOM 443 C ILE 54 36.874 17.416 15.893 1.00 0.00 ATOM 444 N ASP 55 37.785 16.926 15.152 1.00 0.00 ATOM 445 CA ASP 55 38.460 15.643 15.395 1.00 0.00 ATOM 446 CB ASP 55 38.878 15.007 14.067 1.00 0.00 ATOM 447 CG ASP 55 37.690 14.640 13.198 1.00 0.00 ATOM 448 OD1 ASP 55 36.564 14.567 13.732 1.00 0.00 ATOM 449 OD2 ASP 55 37.887 14.423 11.985 1.00 0.00 ATOM 450 O ASP 55 40.361 14.618 16.498 1.00 0.00 ATOM 451 C ASP 55 39.711 15.659 16.297 1.00 0.00 ATOM 452 N LEU 56 40.055 16.819 16.853 1.00 0.00 ATOM 453 CA LEU 56 41.212 16.926 17.743 1.00 0.00 ATOM 454 CB LEU 56 41.477 18.388 18.105 1.00 0.00 ATOM 455 CG LEU 56 41.911 19.303 16.958 1.00 0.00 ATOM 456 CD1 LEU 56 42.014 20.745 17.429 1.00 0.00 ATOM 457 CD2 LEU 56 43.269 18.881 16.417 1.00 0.00 ATOM 458 O LEU 56 40.013 16.243 19.729 1.00 0.00 ATOM 459 C LEU 56 41.046 16.158 19.074 1.00 0.00 ATOM 460 N SER 57 42.070 15.406 19.469 1.00 0.00 ATOM 461 CA SER 57 42.009 14.600 20.682 1.00 0.00 ATOM 462 CB SER 57 43.292 13.782 20.847 1.00 0.00 ATOM 463 OG SER 57 44.408 14.625 21.074 1.00 0.00 ATOM 464 O SER 57 41.424 14.813 23.022 1.00 0.00 ATOM 465 C SER 57 41.855 15.368 21.996 1.00 0.00 ATOM 466 N THR 58 42.197 16.653 21.958 1.00 0.00 ATOM 467 CA THR 58 42.115 17.516 23.139 1.00 0.00 ATOM 468 CB THR 58 43.295 18.503 23.203 1.00 0.00 ATOM 469 CG2 THR 58 44.618 17.753 23.253 1.00 0.00 ATOM 470 OG1 THR 58 43.284 19.343 22.041 1.00 0.00 ATOM 471 O THR 58 40.764 19.291 24.016 1.00 0.00 ATOM 472 C THR 58 40.880 18.409 23.166 1.00 0.00 ATOM 473 N ASN 59 39.935 18.223 22.223 1.00 0.00 ATOM 474 CA ASN 59 38.711 19.006 22.164 1.00 0.00 ATOM 475 CB ASN 59 37.841 18.554 20.989 1.00 0.00 ATOM 476 CG ASN 59 36.650 19.463 20.762 1.00 0.00 ATOM 477 ND2 ASN 59 35.588 18.913 20.186 1.00 0.00 ATOM 478 OD1 ASN 59 36.688 20.647 21.101 1.00 0.00 ATOM 479 O ASN 59 37.577 17.694 23.821 1.00 0.00 ATOM 480 C ASN 59 37.819 18.820 23.387 1.00 0.00 ATOM 481 N LYS 60 37.285 19.944 23.937 1.00 0.00 ATOM 482 CA LYS 60 36.437 19.902 25.124 1.00 0.00 ATOM 483 CB LYS 60 36.874 20.936 26.142 1.00 0.00 ATOM 484 CG LYS 60 38.312 20.834 26.612 1.00 0.00 ATOM 485 CD LYS 60 38.546 19.589 27.441 1.00 0.00 ATOM 486 CE LYS 60 39.916 19.637 28.108 1.00 0.00 ATOM 487 NZ LYS 60 40.998 19.580 27.112 1.00 0.00 ATOM 488 O LYS 60 34.738 20.964 23.828 1.00 0.00 ATOM 489 C LYS 60 35.003 20.193 24.771 1.00 0.00 ATOM 490 N ILE 61 34.014 19.700 25.570 1.00 0.00 ATOM 491 CA ILE 61 32.594 19.886 25.342 1.00 0.00 ATOM 492 CB ILE 61 31.909 18.605 24.835 1.00 0.00 ATOM 493 CG1 ILE 61 32.073 17.473 25.851 1.00 0.00 ATOM 494 CG2 ILE 61 32.521 18.160 23.515 1.00 0.00 ATOM 495 CD1 ILE 61 31.270 16.235 25.520 1.00 0.00 ATOM 496 O ILE 61 32.183 19.823 27.733 1.00 0.00 ATOM 497 C ILE 61 31.854 20.300 26.618 1.00 0.00 ATOM 498 N GLY 62 30.847 21.163 26.451 1.00 0.00 ATOM 499 CA GLY 62 29.948 21.558 27.539 1.00 0.00 ATOM 500 O GLY 62 28.162 21.681 25.913 1.00 0.00 ATOM 501 C GLY 62 28.507 21.412 27.100 1.00 0.00 ATOM 502 N ILE 63 27.649 21.085 28.089 1.00 0.00 ATOM 503 CA ILE 63 26.199 20.908 27.828 1.00 0.00 ATOM 504 CB ILE 63 25.811 19.436 27.759 1.00 0.00 ATOM 505 CG1 ILE 63 26.165 18.891 26.360 1.00 0.00 ATOM 506 CG2 ILE 63 24.351 19.219 28.080 1.00 0.00 ATOM 507 CD1 ILE 63 26.231 17.393 26.273 1.00 0.00 ATOM 508 O ILE 63 25.928 21.440 30.192 1.00 0.00 ATOM 509 C ILE 63 25.565 21.629 29.021 1.00 0.00 ATOM 510 N PHE 64 24.647 22.664 28.542 1.00 0.00 ATOM 511 CA PHE 64 24.030 23.590 29.478 1.00 0.00 ATOM 512 CB PHE 64 22.541 23.314 29.599 1.00 0.00 ATOM 513 CG PHE 64 21.791 24.325 30.399 1.00 0.00 ATOM 514 CD1 PHE 64 21.552 25.601 29.890 1.00 0.00 ATOM 515 CD2 PHE 64 21.309 23.987 31.658 1.00 0.00 ATOM 516 CE1 PHE 64 20.812 26.590 30.628 1.00 0.00 ATOM 517 CE2 PHE 64 20.572 24.936 32.414 1.00 0.00 ATOM 518 CZ PHE 64 20.326 26.252 31.890 1.00 0.00 ATOM 519 O PHE 64 24.825 24.309 31.677 1.00 0.00 ATOM 520 C PHE 64 25.045 24.218 30.463 1.00 0.00 ATOM 521 N SER 65 26.137 24.719 29.881 1.00 0.00 ATOM 522 CA SER 65 27.164 25.489 30.600 1.00 0.00 ATOM 523 CB SER 65 26.538 26.699 31.294 1.00 0.00 ATOM 524 OG SER 65 25.919 27.562 30.356 1.00 0.00 ATOM 525 O SER 65 28.547 25.356 32.580 1.00 0.00 ATOM 526 C SER 65 27.926 24.733 31.699 1.00 0.00 ATOM 527 N ARG 66 27.902 23.284 31.528 1.00 0.00 ATOM 528 CA ARG 66 28.723 22.413 32.376 1.00 0.00 ATOM 529 CB ARG 66 27.836 21.506 33.230 1.00 0.00 ATOM 530 CG ARG 66 27.002 22.248 34.263 1.00 0.00 ATOM 531 CD ARG 66 26.151 21.288 35.079 1.00 0.00 ATOM 532 NE ARG 66 25.306 21.990 36.043 1.00 0.00 ATOM 533 CZ ARG 66 24.408 21.394 36.822 1.00 0.00 ATOM 534 NH1 ARG 66 23.685 22.113 37.668 1.00 0.00 ATOM 535 NH2 ARG 66 24.235 20.082 36.749 1.00 0.00 ATOM 536 O ARG 66 29.175 20.954 30.512 1.00 0.00 ATOM 537 C ARG 66 29.647 21.521 31.510 1.00 0.00 ATOM 538 N PRO 67 30.912 21.346 31.910 1.00 0.00 ATOM 539 CA PRO 67 31.862 20.466 31.207 1.00 0.00 ATOM 540 CB PRO 67 33.166 20.718 31.992 1.00 0.00 ATOM 541 CG PRO 67 32.684 21.031 33.384 1.00 0.00 ATOM 542 CD PRO 67 31.465 21.870 33.173 1.00 0.00 ATOM 543 O PRO 67 31.088 18.579 32.447 1.00 0.00 ATOM 544 C PRO 67 31.405 19.023 31.333 1.00 0.00 ATOM 545 N ILE 68 31.399 18.283 30.217 1.00 0.00 ATOM 546 CA ILE 68 30.921 16.885 30.212 1.00 0.00 ATOM 547 CB ILE 68 29.482 16.778 29.676 1.00 0.00 ATOM 548 CG1 ILE 68 29.404 17.311 28.244 1.00 0.00 ATOM 549 CG2 ILE 68 28.528 17.586 30.543 1.00 0.00 ATOM 550 CD1 ILE 68 28.073 17.055 27.569 1.00 0.00 ATOM 551 O ILE 68 32.717 16.361 28.666 1.00 0.00 ATOM 552 C ILE 68 31.831 15.949 29.411 1.00 0.00 ATOM 553 N LYS 69 31.581 14.582 29.625 1.00 0.00 ATOM 554 CA LYS 69 32.204 13.622 28.738 1.00 0.00 ATOM 555 CB LYS 69 32.005 12.241 29.365 1.00 0.00 ATOM 556 CG LYS 69 32.803 12.017 30.639 1.00 0.00 ATOM 557 CD LYS 69 32.585 10.616 31.188 1.00 0.00 ATOM 558 CE LYS 69 33.385 10.391 32.461 1.00 0.00 ATOM 559 NZ LYS 69 33.189 9.019 33.004 1.00 0.00 ATOM 560 O LYS 69 30.314 13.986 27.250 1.00 0.00 ATOM 561 C LYS 69 31.505 13.629 27.371 1.00 0.00 ATOM 562 N LEU 70 32.219 13.209 26.341 1.00 0.00 ATOM 563 CA LEU 70 31.623 13.088 25.008 1.00 0.00 ATOM 564 CB LEU 70 32.689 12.715 23.976 1.00 0.00 ATOM 565 CG LEU 70 33.784 13.754 23.725 1.00 0.00 ATOM 566 CD1 LEU 70 34.835 13.207 22.772 1.00 0.00 ATOM 567 CD2 LEU 70 33.197 15.017 23.115 1.00 0.00 ATOM 568 O LEU 70 29.704 12.011 24.020 1.00 0.00 ATOM 569 C LEU 70 30.506 12.018 24.947 1.00 0.00 ATOM 570 N THR 71 30.442 11.128 25.944 1.00 0.00 ATOM 571 CA THR 71 29.349 10.164 26.032 1.00 0.00 ATOM 572 CB THR 71 29.722 8.971 26.932 1.00 0.00 ATOM 573 CG2 THR 71 30.948 8.255 26.385 1.00 0.00 ATOM 574 OG1 THR 71 30.009 9.438 28.256 1.00 0.00 ATOM 575 O THR 71 27.074 9.988 26.736 1.00 0.00 ATOM 576 C THR 71 28.050 10.715 26.613 1.00 0.00 ATOM 577 N ASP 72 28.031 12.034 26.955 1.00 0.00 ATOM 578 CA ASP 72 26.843 12.671 27.519 1.00 0.00 ATOM 579 CB ASP 72 27.127 14.126 27.897 1.00 0.00 ATOM 580 CG ASP 72 25.994 14.756 28.682 1.00 0.00 ATOM 581 OD1 ASP 72 24.928 15.015 28.085 1.00 0.00 ATOM 582 OD2 ASP 72 26.173 14.993 29.896 1.00 0.00 ATOM 583 O ASP 72 25.738 13.116 25.404 1.00 0.00 ATOM 584 C ASP 72 25.631 12.697 26.557 1.00 0.00 ATOM 585 N VAL 73 24.457 12.282 27.029 1.00 0.00 ATOM 586 CA VAL 73 23.259 12.275 26.178 1.00 0.00 ATOM 587 CB VAL 73 22.074 11.590 26.884 1.00 0.00 ATOM 588 CG1 VAL 73 20.804 11.744 26.062 1.00 0.00 ATOM 589 CG2 VAL 73 22.350 10.107 27.071 1.00 0.00 ATOM 590 O VAL 73 23.093 14.645 26.445 1.00 0.00 ATOM 591 C VAL 73 22.781 13.665 25.774 1.00 0.00 ATOM 592 N LEU 74 21.884 13.812 24.694 1.00 0.00 ATOM 593 CA LEU 74 21.356 15.087 24.241 1.00 0.00 ATOM 594 CB LEU 74 21.799 15.370 22.804 1.00 0.00 ATOM 595 CG LEU 74 23.308 15.420 22.557 1.00 0.00 ATOM 596 CD1 LEU 74 23.604 15.626 21.079 1.00 0.00 ATOM 597 CD2 LEU 74 23.942 16.563 23.333 1.00 0.00 ATOM 598 O LEU 74 19.161 14.122 24.287 1.00 0.00 ATOM 599 C LEU 74 19.833 15.148 24.333 1.00 0.00 ATOM 600 N LYS 75 19.279 16.352 24.487 1.00 0.00 ATOM 601 CA LYS 75 17.834 16.542 24.544 1.00 0.00 ATOM 602 CB LYS 75 17.398 16.715 25.999 1.00 0.00 ATOM 603 CG LYS 75 17.509 15.450 26.835 1.00 0.00 ATOM 604 CD LYS 75 16.975 15.668 28.242 1.00 0.00 ATOM 605 CE LYS 75 17.084 14.402 29.075 1.00 0.00 ATOM 606 NZ LYS 75 16.590 14.607 30.465 1.00 0.00 ATOM 607 O LYS 75 18.288 18.691 23.541 1.00 0.00 ATOM 608 C LYS 75 17.470 17.788 23.720 1.00 0.00 ATOM 609 N GLU 76 16.244 17.842 23.205 1.00 0.00 ATOM 610 CA GLU 76 15.761 19.017 22.495 1.00 0.00 ATOM 611 CB GLU 76 14.298 18.819 22.090 1.00 0.00 ATOM 612 CG GLU 76 13.694 20.000 21.351 1.00 0.00 ATOM 613 CD GLU 76 12.254 19.757 20.941 1.00 0.00 ATOM 614 OE1 GLU 76 11.748 18.642 21.186 1.00 0.00 ATOM 615 OE2 GLU 76 11.633 20.681 20.376 1.00 0.00 ATOM 616 O GLU 76 15.492 20.147 24.621 1.00 0.00 ATOM 617 C GLU 76 15.846 20.231 23.433 1.00 0.00 ATOM 618 N GLY 77 16.378 21.338 22.913 1.00 0.00 ATOM 619 CA GLY 77 16.539 22.568 23.677 1.00 0.00 ATOM 620 O GLY 77 18.156 23.822 24.913 1.00 0.00 ATOM 621 C GLY 77 17.902 22.766 24.327 1.00 0.00 ATOM 622 N ASP 78 18.777 21.787 24.305 1.00 0.00 ATOM 623 CA ASP 78 20.090 21.882 24.897 1.00 0.00 ATOM 624 CB ASP 78 20.798 20.527 24.900 1.00 0.00 ATOM 625 CG ASP 78 20.194 19.556 25.896 1.00 0.00 ATOM 626 OD1 ASP 78 19.367 19.991 26.723 1.00 0.00 ATOM 627 OD2 ASP 78 20.549 18.359 25.848 1.00 0.00 ATOM 628 O ASP 78 20.825 23.024 22.876 1.00 0.00 ATOM 629 C ASP 78 20.983 22.841 24.101 1.00 0.00 ATOM 630 N ARG 79 21.904 23.494 25.024 1.00 0.00 ATOM 631 CA ARG 79 22.995 24.296 24.486 1.00 0.00 ATOM 632 CB ARG 79 23.144 25.625 25.229 1.00 0.00 ATOM 633 CG ARG 79 21.961 26.564 25.066 1.00 0.00 ATOM 634 CD ARG 79 22.122 27.809 25.922 1.00 0.00 ATOM 635 NE ARG 79 21.001 28.733 25.761 1.00 0.00 ATOM 636 CZ ARG 79 20.932 29.930 26.334 1.00 0.00 ATOM 637 NH1 ARG 79 19.873 30.702 26.131 1.00 0.00 ATOM 638 NH2 ARG 79 21.923 30.353 27.107 1.00 0.00 ATOM 639 O ARG 79 24.699 23.084 25.715 1.00 0.00 ATOM 640 C ARG 79 24.287 23.455 24.608 1.00 0.00 ATOM 641 N ILE 80 24.938 23.205 23.474 1.00 0.00 ATOM 642 CA ILE 80 26.188 22.443 23.420 1.00 0.00 ATOM 643 CB ILE 80 26.108 21.272 22.423 1.00 0.00 ATOM 644 CG1 ILE 80 25.030 20.277 22.855 1.00 0.00 ATOM 645 CG2 ILE 80 27.441 20.540 22.355 1.00 0.00 ATOM 646 CD1 ILE 80 24.719 19.224 21.812 1.00 0.00 ATOM 647 O ILE 80 27.076 24.245 22.125 1.00 0.00 ATOM 648 C ILE 80 27.304 23.387 22.978 1.00 0.00 ATOM 649 N GLU 81 28.496 23.257 23.566 1.00 0.00 ATOM 650 CA GLU 81 29.661 24.063 23.139 1.00 0.00 ATOM 651 CB GLU 81 30.015 25.098 24.208 1.00 0.00 ATOM 652 CG GLU 81 28.930 26.137 24.450 1.00 0.00 ATOM 653 CD GLU 81 29.316 27.145 25.513 1.00 0.00 ATOM 654 OE1 GLU 81 30.426 27.024 26.072 1.00 0.00 ATOM 655 OE2 GLU 81 28.508 28.056 25.789 1.00 0.00 ATOM 656 O GLU 81 31.169 22.280 23.745 1.00 0.00 ATOM 657 C GLU 81 30.885 23.155 22.917 1.00 0.00 ATOM 658 N ILE 82 31.640 23.430 21.845 1.00 0.00 ATOM 659 CA ILE 82 32.903 22.747 21.527 1.00 0.00 ATOM 660 CB ILE 82 32.846 22.148 20.120 1.00 0.00 ATOM 661 CG1 ILE 82 31.757 21.069 20.101 1.00 0.00 ATOM 662 CG2 ILE 82 34.199 21.556 19.762 1.00 0.00 ATOM 663 CD1 ILE 82 31.495 20.467 18.725 1.00 0.00 ATOM 664 O ILE 82 34.007 24.822 20.820 1.00 0.00 ATOM 665 C ILE 82 34.068 23.782 21.520 1.00 0.00 ATOM 666 N TYR 83 35.183 23.397 22.294 1.00 0.00 ATOM 667 CA TYR 83 36.211 24.446 22.355 1.00 0.00 ATOM 668 CB TYR 83 35.901 25.391 23.517 1.00 0.00 ATOM 669 CG TYR 83 35.931 24.726 24.874 1.00 0.00 ATOM 670 CD1 TYR 83 37.104 24.680 25.617 1.00 0.00 ATOM 671 CD2 TYR 83 34.787 24.148 25.408 1.00 0.00 ATOM 672 CE1 TYR 83 37.140 24.074 26.858 1.00 0.00 ATOM 673 CE2 TYR 83 34.805 23.537 26.647 1.00 0.00 ATOM 674 CZ TYR 83 35.996 23.505 27.372 1.00 0.00 ATOM 675 OH TYR 83 36.029 22.900 28.608 1.00 0.00 ATOM 676 O TYR 83 37.748 22.664 22.841 1.00 0.00 ATOM 677 C TYR 83 37.592 23.854 22.584 1.00 0.00 ATOM 678 N ARG 84 38.678 24.758 22.463 1.00 0.00 ATOM 679 CA ARG 84 40.048 24.313 22.659 1.00 0.00 ATOM 680 CB ARG 84 41.067 25.172 21.879 1.00 0.00 ATOM 681 CG ARG 84 41.370 26.549 22.477 1.00 0.00 ATOM 682 CD ARG 84 42.761 27.014 22.002 1.00 0.00 ATOM 683 NE ARG 84 43.062 28.426 22.258 1.00 0.00 ATOM 684 CZ ARG 84 43.384 28.946 23.443 1.00 0.00 ATOM 685 NH1 ARG 84 43.451 28.184 24.527 1.00 0.00 ATOM 686 NH2 ARG 84 43.669 30.240 23.536 1.00 0.00 ATOM 687 O ARG 84 39.763 25.031 24.925 1.00 0.00 ATOM 688 C ARG 84 40.499 24.451 24.119 1.00 0.00 ATOM 689 N PRO 85 41.658 23.883 24.461 1.00 0.00 ATOM 690 CA PRO 85 42.164 23.914 25.842 1.00 0.00 ATOM 691 CB PRO 85 43.625 23.482 25.711 1.00 0.00 ATOM 692 CG PRO 85 43.657 22.638 24.481 1.00 0.00 ATOM 693 CD PRO 85 42.708 23.282 23.509 1.00 0.00 ATOM 694 O PRO 85 42.332 26.312 25.843 1.00 0.00 ATOM 695 C PRO 85 42.017 25.299 26.473 1.00 0.00 ATOM 696 N LEU 86 41.400 25.393 27.599 1.00 0.00 ATOM 697 CA LEU 86 41.194 26.654 28.303 1.00 0.00 ATOM 698 CB LEU 86 40.155 26.471 29.419 1.00 0.00 ATOM 699 CG LEU 86 38.840 25.831 29.002 1.00 0.00 ATOM 700 CD1 LEU 86 37.960 25.734 30.260 1.00 0.00 ATOM 701 CD2 LEU 86 38.147 26.658 27.900 1.00 0.00 ATOM 702 O LEU 86 42.694 28.516 28.586 1.00 0.00 ATOM 703 C LEU 86 42.506 27.305 28.737 1.00 0.00 ATOM 704 N LEU 87 43.426 26.503 29.243 1.00 0.00 ATOM 705 CA LEU 87 44.745 26.961 29.662 1.00 0.00 ATOM 706 CB LEU 87 44.821 27.084 31.190 1.00 0.00 ATOM 707 CG LEU 87 43.729 27.840 31.937 1.00 0.00 ATOM 708 CD1 LEU 87 44.020 27.924 33.403 1.00 0.00 ATOM 709 CD2 LEU 87 43.482 29.207 31.381 1.00 0.00 ATOM 710 O LEU 87 45.646 24.806 29.031 1.00 0.00 ATOM 711 C LEU 87 45.836 26.035 29.144 1.00 0.00 ATOM 712 N ALA 88 46.986 26.603 28.887 1.00 0.00 ATOM 713 CA ALA 88 48.132 25.835 28.390 1.00 0.00 ATOM 714 CB ALA 88 49.320 26.750 27.955 1.00 0.00 ATOM 715 O ALA 88 48.874 23.616 28.937 1.00 0.00 ATOM 716 C ALA 88 48.577 24.737 29.350 1.00 0.00 ATOM 717 N ASP 89 48.601 25.067 30.668 1.00 0.00 ATOM 718 CA ASP 89 49.000 24.121 31.700 1.00 0.00 ATOM 719 CB ASP 89 49.179 24.753 33.073 1.00 0.00 ATOM 720 CG ASP 89 49.575 23.720 34.110 1.00 0.00 ATOM 721 OD1 ASP 89 50.757 23.314 34.077 1.00 0.00 ATOM 722 OD2 ASP 89 48.703 23.282 34.911 1.00 0.00 ATOM 723 O ASP 89 46.777 23.311 31.939 1.00 0.00 ATOM 724 C ASP 89 47.967 23.008 31.809 1.00 0.00 ATOM 725 N PRO 90 48.376 21.657 31.718 1.00 0.00 ATOM 726 CA PRO 90 47.402 20.557 31.767 1.00 0.00 ATOM 727 CB PRO 90 48.297 19.312 31.791 1.00 0.00 ATOM 728 CG PRO 90 49.472 19.731 30.925 1.00 0.00 ATOM 729 CD PRO 90 49.739 21.147 31.436 1.00 0.00 ATOM 730 O PRO 90 45.318 20.422 32.955 1.00 0.00 ATOM 731 C PRO 90 46.524 20.652 33.023 1.00 0.00 ATOM 732 N LYS 91 47.120 21.018 34.159 1.00 0.00 ATOM 733 CA LYS 91 46.369 21.175 35.404 1.00 0.00 ATOM 734 CB LYS 91 47.306 21.421 36.588 1.00 0.00 ATOM 735 CG LYS 91 46.599 21.668 37.945 1.00 0.00 ATOM 736 CD LYS 91 45.805 20.464 38.420 1.00 0.00 ATOM 737 CE LYS 91 45.242 20.686 39.798 1.00 0.00 ATOM 738 NZ LYS 91 44.221 19.639 40.103 1.00 0.00 ATOM 739 O LYS 91 44.225 22.169 35.724 1.00 0.00 ATOM 740 C LYS 91 45.349 22.298 35.271 1.00 0.00 ATOM 741 N GLU 92 45.738 23.399 34.633 1.00 0.00 ATOM 742 CA GLU 92 44.825 24.527 34.441 1.00 0.00 ATOM 743 CB GLU 92 45.584 25.762 33.935 1.00 0.00 ATOM 744 CG GLU 92 46.537 26.313 34.984 1.00 0.00 ATOM 745 CD GLU 92 47.493 27.375 34.467 1.00 0.00 ATOM 746 OE1 GLU 92 47.765 27.433 33.248 1.00 0.00 ATOM 747 OE2 GLU 92 47.997 28.142 35.307 1.00 0.00 ATOM 748 O GLU 92 42.527 24.571 33.787 1.00 0.00 ATOM 749 C GLU 92 43.656 24.157 33.541 1.00 0.00 ATOM 750 N ILE 93 43.919 23.350 32.521 1.00 0.00 ATOM 751 CA ILE 93 42.869 22.880 31.626 1.00 0.00 ATOM 752 CB ILE 93 43.451 22.072 30.438 1.00 0.00 ATOM 753 CG1 ILE 93 44.306 23.001 29.548 1.00 0.00 ATOM 754 CG2 ILE 93 42.305 21.469 29.605 1.00 0.00 ATOM 755 CD1 ILE 93 45.190 22.260 28.498 1.00 0.00 ATOM 756 O ILE 93 40.697 22.176 32.351 1.00 0.00 ATOM 757 C ILE 93 41.912 22.010 32.438 1.00 0.00 ATOM 758 N ARG 94 42.456 21.094 33.242 1.00 0.00 ATOM 759 CA ARG 94 41.604 20.209 34.047 1.00 0.00 ATOM 760 CB ARG 94 42.460 19.189 34.814 1.00 0.00 ATOM 761 CG ARG 94 41.712 18.427 35.918 1.00 0.00 ATOM 762 CD ARG 94 40.511 17.668 35.371 1.00 0.00 ATOM 763 NE ARG 94 40.931 16.601 34.462 1.00 0.00 ATOM 764 CZ ARG 94 40.243 16.179 33.408 1.00 0.00 ATOM 765 NH1 ARG 94 39.073 16.731 33.082 1.00 0.00 ATOM 766 NH2 ARG 94 40.727 15.172 32.687 1.00 0.00 ATOM 767 O ARG 94 39.625 20.736 35.311 1.00 0.00 ATOM 768 C ARG 94 40.789 21.032 35.045 1.00 0.00 ATOM 769 N ARG 95 41.417 22.070 35.577 1.00 0.00 ATOM 770 CA ARG 95 40.780 22.928 36.563 1.00 0.00 ATOM 771 CB ARG 95 41.817 23.899 37.150 1.00 0.00 ATOM 772 CG ARG 95 41.223 24.928 38.136 1.00 0.00 ATOM 773 CD ARG 95 42.175 25.197 39.301 1.00 0.00 ATOM 774 NE ARG 95 43.556 25.421 38.860 1.00 0.00 ATOM 775 CZ ARG 95 44.046 26.589 38.473 1.00 0.00 ATOM 776 NH1 ARG 95 43.280 27.675 38.470 1.00 0.00 ATOM 777 NH2 ARG 95 45.305 26.668 38.063 1.00 0.00 ATOM 778 O ARG 95 38.539 23.763 36.535 1.00 0.00 ATOM 779 C ARG 95 39.608 23.676 35.936 1.00 0.00 ATOM 780 N GLU 96 39.796 24.160 34.715 1.00 0.00 ATOM 781 CA GLU 96 38.748 24.898 33.998 1.00 0.00 ATOM 782 CB GLU 96 39.399 25.751 32.865 1.00 0.00 ATOM 783 CG GLU 96 40.305 26.867 33.347 1.00 0.00 ATOM 784 CD GLU 96 39.651 27.751 34.398 1.00 0.00 ATOM 785 OE1 GLU 96 38.648 28.428 34.077 1.00 0.00 ATOM 786 OE2 GLU 96 40.141 27.765 35.550 1.00 0.00 ATOM 787 O GLU 96 36.501 24.433 33.301 1.00 0.00 ATOM 788 C GLU 96 37.635 23.990 33.468 1.00 0.00 ATOM 789 N GLY 97 37.969 22.747 33.148 1.00 0.00 ATOM 790 CA GLY 97 36.996 21.810 32.608 1.00 0.00 ATOM 791 O GLY 97 36.194 20.960 30.511 1.00 0.00 ATOM 792 C GLY 97 36.931 21.765 31.088 1.00 0.00 TER END