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 5 Wed Jul 26 13:16:44 2006 MODEL 5 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 8.704 21.875 11.345 1.00 0.00 ATOM 2 CA MET 1 8.671 23.086 10.475 1.00 0.00 ATOM 3 CB MET 1 7.262 23.680 10.439 1.00 0.00 ATOM 4 CG MET 1 6.239 22.812 9.727 1.00 0.00 ATOM 5 SD MET 1 4.579 23.517 9.764 1.00 0.00 ATOM 6 CE MET 1 4.767 24.885 8.624 1.00 0.00 ATOM 7 O MET 1 10.146 24.058 12.113 1.00 0.00 ATOM 8 C MET 1 9.640 24.147 10.993 1.00 0.00 ATOM 9 N ALA 2 9.866 25.152 10.158 1.00 0.00 ATOM 10 CA ALA 2 10.730 26.289 10.503 1.00 0.00 ATOM 11 CB ALA 2 10.912 27.199 9.301 1.00 0.00 ATOM 12 O ALA 2 10.947 27.830 12.309 1.00 0.00 ATOM 13 C ALA 2 10.194 27.082 11.667 1.00 0.00 ATOM 14 N HIS 3 8.838 26.951 11.948 1.00 0.00 ATOM 15 CA HIS 3 8.194 27.676 13.050 1.00 0.00 ATOM 16 CB HIS 3 6.698 27.788 12.749 1.00 0.00 ATOM 17 CG HIS 3 6.390 28.518 11.478 1.00 0.00 ATOM 18 CD2 HIS 3 5.932 28.141 10.148 1.00 0.00 ATOM 19 ND1 HIS 3 6.517 29.886 11.356 1.00 0.00 ATOM 20 CE1 HIS 3 6.172 30.246 10.108 1.00 0.00 ATOM 21 NE2 HIS 3 5.821 29.206 9.377 1.00 0.00 ATOM 22 O HIS 3 7.580 27.415 15.381 1.00 0.00 ATOM 23 C HIS 3 8.262 27.027 14.432 1.00 0.00 ATOM 24 N HIS 4 9.147 26.046 14.646 1.00 0.00 ATOM 25 CA HIS 4 9.450 25.460 15.940 1.00 0.00 ATOM 26 CB HIS 4 10.115 26.550 16.885 1.00 0.00 ATOM 27 CG HIS 4 11.122 27.454 16.244 1.00 0.00 ATOM 28 CD2 HIS 4 11.041 28.752 15.863 1.00 0.00 ATOM 29 ND1 HIS 4 12.373 27.022 15.857 1.00 0.00 ATOM 30 CE1 HIS 4 13.017 28.010 15.266 1.00 0.00 ATOM 31 NE2 HIS 4 12.232 29.072 15.257 1.00 0.00 ATOM 32 O HIS 4 8.038 24.741 17.765 1.00 0.00 ATOM 33 C HIS 4 8.279 24.709 16.548 1.00 0.00 ATOM 34 N HIS 5 7.514 24.013 15.704 1.00 0.00 ATOM 35 CA HIS 5 6.368 23.277 16.233 1.00 0.00 ATOM 36 CB HIS 5 5.580 22.642 15.120 1.00 0.00 ATOM 37 CG HIS 5 4.899 23.658 14.265 1.00 0.00 ATOM 38 CD2 HIS 5 5.312 24.870 13.824 1.00 0.00 ATOM 39 ND1 HIS 5 3.642 23.460 13.732 1.00 0.00 ATOM 40 CE1 HIS 5 3.310 24.508 13.000 1.00 0.00 ATOM 41 NE2 HIS 5 4.308 25.377 13.040 1.00 0.00 ATOM 42 O HIS 5 8.026 21.615 16.866 1.00 0.00 ATOM 43 C HIS 5 6.873 22.046 16.989 1.00 0.00 ATOM 44 N HIS 6 6.005 21.482 17.804 1.00 0.00 ATOM 45 CA HIS 6 6.358 20.326 18.638 1.00 0.00 ATOM 46 CB HIS 6 5.288 19.752 19.414 1.00 0.00 ATOM 47 CG HIS 6 4.091 19.274 18.649 1.00 0.00 ATOM 48 CD2 HIS 6 3.727 18.032 18.245 1.00 0.00 ATOM 49 ND1 HIS 6 3.099 20.124 18.209 1.00 0.00 ATOM 50 CE1 HIS 6 2.173 19.427 17.572 1.00 0.00 ATOM 51 NE2 HIS 6 2.531 18.154 17.578 1.00 0.00 ATOM 52 O HIS 6 7.739 18.443 18.063 1.00 0.00 ATOM 53 C HIS 6 6.757 19.142 17.775 1.00 0.00 ATOM 54 N HIS 7 6.058 18.943 16.669 1.00 0.00 ATOM 55 CA HIS 7 6.375 17.861 15.751 1.00 0.00 ATOM 56 CB HIS 7 5.192 17.902 14.658 1.00 0.00 ATOM 57 CG HIS 7 5.477 17.098 13.428 1.00 0.00 ATOM 58 CD2 HIS 7 6.297 16.022 13.253 1.00 0.00 ATOM 59 ND1 HIS 7 4.965 17.399 12.191 1.00 0.00 ATOM 60 CE1 HIS 7 5.435 16.536 11.302 1.00 0.00 ATOM 61 NE2 HIS 7 6.241 15.706 11.929 1.00 0.00 ATOM 62 O HIS 7 8.588 17.008 15.229 1.00 0.00 ATOM 63 C HIS 7 7.818 17.984 15.213 1.00 0.00 ATOM 64 N HIS 8 8.172 19.176 14.773 1.00 0.00 ATOM 65 CA HIS 8 9.516 19.422 14.264 1.00 0.00 ATOM 66 CB HIS 8 9.609 20.818 13.710 1.00 0.00 ATOM 67 CG HIS 8 10.983 21.194 13.258 1.00 0.00 ATOM 68 CD2 HIS 8 11.937 21.958 13.843 1.00 0.00 ATOM 69 ND1 HIS 8 11.509 20.779 12.054 1.00 0.00 ATOM 70 CE1 HIS 8 12.729 21.265 11.919 1.00 0.00 ATOM 71 NE2 HIS 8 13.014 21.981 12.992 1.00 0.00 ATOM 72 O HIS 8 11.610 18.653 15.113 1.00 0.00 ATOM 73 C HIS 8 10.554 19.225 15.358 1.00 0.00 ATOM 74 N SER 9 10.264 19.680 16.616 1.00 0.00 ATOM 75 CA SER 9 11.180 19.513 17.738 1.00 0.00 ATOM 76 CB SER 9 10.613 20.100 18.996 1.00 0.00 ATOM 77 OG SER 9 10.407 21.482 18.781 1.00 0.00 ATOM 78 O SER 9 12.612 17.649 18.243 1.00 0.00 ATOM 79 C SER 9 11.465 18.035 18.016 1.00 0.00 ATOM 80 N LEU 10 10.419 17.212 17.971 1.00 0.00 ATOM 81 CA LEU 10 10.565 15.783 18.209 1.00 0.00 ATOM 82 CB LEU 10 9.197 15.099 18.209 1.00 0.00 ATOM 83 CG LEU 10 8.281 15.411 19.394 1.00 0.00 ATOM 84 CD1 LEU 10 6.899 14.814 19.176 1.00 0.00 ATOM 85 CD2 LEU 10 8.851 14.832 20.679 1.00 0.00 ATOM 86 O LEU 10 12.320 14.356 17.408 1.00 0.00 ATOM 87 C LEU 10 11.443 15.172 17.120 1.00 0.00 ATOM 88 N ASN 11 11.231 15.628 15.892 1.00 0.00 ATOM 89 CA ASN 11 11.997 15.081 14.777 1.00 0.00 ATOM 90 CB ASN 11 11.105 15.161 13.478 1.00 0.00 ATOM 91 CG ASN 11 10.049 14.061 13.373 1.00 0.00 ATOM 92 ND2 ASN 11 8.880 14.304 13.954 1.00 0.00 ATOM 93 OD1 ASN 11 10.306 13.005 12.789 1.00 0.00 ATOM 94 O ASN 11 14.229 14.998 13.924 1.00 0.00 ATOM 95 C ASN 11 13.434 15.574 14.663 1.00 0.00 ATOM 96 N GLN 12 13.766 16.686 15.429 1.00 0.00 ATOM 97 CA GLN 12 15.112 17.221 15.368 1.00 0.00 ATOM 98 CB GLN 12 15.286 18.175 14.186 1.00 0.00 ATOM 99 CG GLN 12 15.132 17.510 12.828 1.00 0.00 ATOM 100 CD GLN 12 16.314 16.629 12.471 1.00 0.00 ATOM 101 OE1 GLN 12 17.467 17.006 12.681 1.00 0.00 ATOM 102 NE2 GLN 12 16.028 15.449 11.933 1.00 0.00 ATOM 103 O GLN 12 14.567 18.731 17.154 1.00 0.00 ATOM 104 C GLN 12 15.423 18.033 16.625 1.00 0.00 ATOM 105 N ILE 13 16.704 17.996 16.998 1.00 0.00 ATOM 106 CA ILE 13 17.234 18.725 18.154 1.00 0.00 ATOM 107 CB ILE 13 17.854 17.711 19.187 1.00 0.00 ATOM 108 CG1 ILE 13 16.866 16.687 19.676 1.00 0.00 ATOM 109 CG2 ILE 13 18.397 18.436 20.371 1.00 0.00 ATOM 110 CD1 ILE 13 17.480 15.602 20.525 1.00 0.00 ATOM 111 O ILE 13 19.169 19.411 16.912 1.00 0.00 ATOM 112 C ILE 13 18.216 19.776 17.606 1.00 0.00 ATOM 113 N ASN 14 17.961 21.058 17.865 1.00 0.00 ATOM 114 CA ASN 14 18.841 22.109 17.373 1.00 0.00 ATOM 115 CB ASN 14 18.013 23.330 17.027 1.00 0.00 ATOM 116 CG ASN 14 18.885 24.428 16.447 1.00 0.00 ATOM 117 ND2 ASN 14 18.393 25.084 15.401 1.00 0.00 ATOM 118 OD1 ASN 14 19.980 24.691 16.939 1.00 0.00 ATOM 119 O ASN 14 19.083 23.048 19.565 1.00 0.00 ATOM 120 C ASN 14 19.656 22.629 18.533 1.00 0.00 ATOM 121 N ILE 15 20.974 22.562 18.408 1.00 0.00 ATOM 122 CA ILE 15 21.866 23.026 19.465 1.00 0.00 ATOM 123 CB ILE 15 22.751 21.872 19.972 1.00 0.00 ATOM 124 CG1 ILE 15 23.578 21.291 18.828 1.00 0.00 ATOM 125 CG2 ILE 15 21.868 20.783 20.572 1.00 0.00 ATOM 126 CD1 ILE 15 24.457 20.109 19.248 1.00 0.00 ATOM 127 O ILE 15 23.045 24.251 17.750 1.00 0.00 ATOM 128 C ILE 15 22.695 24.184 18.952 1.00 0.00 ATOM 129 N GLU 16 23.053 25.090 19.837 1.00 0.00 ATOM 130 CA GLU 16 23.894 26.215 19.520 1.00 0.00 ATOM 131 CB GLU 16 23.419 27.457 20.275 1.00 0.00 ATOM 132 CG GLU 16 24.242 28.704 20.001 1.00 0.00 ATOM 133 CD GLU 16 23.749 29.912 20.778 1.00 0.00 ATOM 134 OE1 GLU 16 22.766 29.770 21.532 1.00 0.00 ATOM 135 OE2 GLU 16 24.349 30.997 20.630 1.00 0.00 ATOM 136 O GLU 16 25.570 25.689 21.123 1.00 0.00 ATOM 137 C GLU 16 25.299 25.865 19.926 1.00 0.00 ATOM 138 N ILE 17 26.207 25.797 18.973 1.00 0.00 ATOM 139 CA ILE 17 27.606 25.498 19.237 1.00 0.00 ATOM 140 CB ILE 17 28.177 24.541 18.170 1.00 0.00 ATOM 141 CG1 ILE 17 27.354 23.251 18.127 1.00 0.00 ATOM 142 CG2 ILE 17 29.631 24.215 18.483 1.00 0.00 ATOM 143 CD1 ILE 17 27.338 22.496 19.436 1.00 0.00 ATOM 144 O ILE 17 28.316 27.575 18.351 1.00 0.00 ATOM 145 C ILE 17 28.404 26.777 19.287 1.00 0.00 ATOM 146 N ALA 18 29.156 26.985 20.374 1.00 0.00 ATOM 147 CA ALA 18 30.007 28.170 20.516 1.00 0.00 ATOM 148 CB ALA 18 29.705 28.932 21.801 1.00 0.00 ATOM 149 O ALA 18 31.872 26.946 21.396 1.00 0.00 ATOM 150 C ALA 18 31.448 27.712 20.513 1.00 0.00 ATOM 151 N TYR 19 32.213 28.185 19.552 1.00 0.00 ATOM 152 CA TYR 19 33.636 27.888 19.447 1.00 0.00 ATOM 153 CB TYR 19 34.038 27.547 18.008 1.00 0.00 ATOM 154 CG TYR 19 33.450 26.270 17.475 1.00 0.00 ATOM 155 CD1 TYR 19 32.254 26.277 16.769 1.00 0.00 ATOM 156 CD2 TYR 19 34.089 25.053 17.685 1.00 0.00 ATOM 157 CE1 TYR 19 31.702 25.096 16.280 1.00 0.00 ATOM 158 CE2 TYR 19 33.550 23.867 17.205 1.00 0.00 ATOM 159 CZ TYR 19 32.357 23.896 16.504 1.00 0.00 ATOM 160 OH TYR 19 31.810 22.723 16.032 1.00 0.00 ATOM 161 O TYR 19 34.185 30.229 19.581 1.00 0.00 ATOM 162 C TYR 19 34.383 29.096 20.009 1.00 0.00 ATOM 163 N ALA 20 35.173 28.776 21.009 1.00 0.00 ATOM 164 CA ALA 20 36.005 29.833 21.602 1.00 0.00 ATOM 165 CB ALA 20 36.179 29.592 23.085 1.00 0.00 ATOM 166 O ALA 20 38.175 29.008 21.042 1.00 0.00 ATOM 167 C ALA 20 37.278 29.782 20.779 1.00 0.00 ATOM 168 N PHE 21 37.363 30.636 19.751 1.00 0.00 ATOM 169 CA PHE 21 38.499 30.509 18.833 1.00 0.00 ATOM 170 CB PHE 21 38.147 31.004 17.441 1.00 0.00 ATOM 171 CG PHE 21 37.488 29.946 16.608 1.00 0.00 ATOM 172 CD1 PHE 21 38.232 28.879 16.108 1.00 0.00 ATOM 173 CD2 PHE 21 36.119 29.981 16.369 1.00 0.00 ATOM 174 CE1 PHE 21 37.624 27.862 15.381 1.00 0.00 ATOM 175 CE2 PHE 21 35.496 28.966 15.641 1.00 0.00 ATOM 176 CZ PHE 21 36.252 27.903 15.149 1.00 0.00 ATOM 177 O PHE 21 39.204 32.572 19.851 1.00 0.00 ATOM 178 C PHE 21 39.477 31.628 19.144 1.00 0.00 ATOM 179 N PRO 22 40.697 31.504 18.598 1.00 0.00 ATOM 180 CA PRO 22 41.674 32.549 18.787 1.00 0.00 ATOM 181 CB PRO 22 42.853 32.278 17.870 1.00 0.00 ATOM 182 CG PRO 22 42.331 31.229 16.877 1.00 0.00 ATOM 183 CD PRO 22 41.276 30.453 17.625 1.00 0.00 ATOM 184 O PRO 22 41.491 34.915 18.774 1.00 0.00 ATOM 185 C PRO 22 41.135 33.880 18.238 1.00 0.00 ATOM 186 N GLU 23 40.269 33.867 17.238 1.00 0.00 ATOM 187 CA GLU 23 39.707 35.094 16.669 1.00 0.00 ATOM 188 CB GLU 23 39.502 34.793 15.166 1.00 0.00 ATOM 189 CG GLU 23 40.808 34.579 14.418 1.00 0.00 ATOM 190 CD GLU 23 41.714 35.789 14.484 1.00 0.00 ATOM 191 OE1 GLU 23 41.224 36.919 14.262 1.00 0.00 ATOM 192 OE2 GLU 23 42.921 35.618 14.760 1.00 0.00 ATOM 193 O GLU 23 37.620 36.280 16.749 1.00 0.00 ATOM 194 C GLU 23 38.364 35.456 17.265 1.00 0.00 ATOM 195 N ARG 24 37.922 35.003 18.509 1.00 0.00 ATOM 196 CA ARG 24 36.650 35.364 19.113 1.00 0.00 ATOM 197 CB ARG 24 35.905 36.401 18.259 1.00 0.00 ATOM 198 CG ARG 24 35.560 35.928 16.836 1.00 0.00 ATOM 199 CD ARG 24 35.037 37.063 15.950 1.00 0.00 ATOM 200 NE ARG 24 35.033 36.662 14.548 1.00 0.00 ATOM 201 CZ ARG 24 34.031 36.028 13.967 1.00 0.00 ATOM 202 NH1 ARG 24 32.940 35.737 14.663 1.00 0.00 ATOM 203 NH2 ARG 24 34.157 35.646 12.702 1.00 0.00 ATOM 204 O ARG 24 35.967 33.023 19.196 1.00 0.00 ATOM 205 C ARG 24 35.654 34.240 19.233 1.00 0.00 ATOM 206 N TYR 25 34.395 34.584 19.472 1.00 0.00 ATOM 207 CA TYR 25 33.367 33.573 19.663 1.00 0.00 ATOM 208 CB TYR 25 32.465 33.832 20.868 1.00 0.00 ATOM 209 CG TYR 25 31.947 35.235 20.973 1.00 0.00 ATOM 210 CD1 TYR 25 30.791 35.680 20.358 1.00 0.00 ATOM 211 CD2 TYR 25 32.643 36.174 21.741 1.00 0.00 ATOM 212 CE1 TYR 25 30.366 36.993 20.511 1.00 0.00 ATOM 213 CE2 TYR 25 32.211 37.486 21.885 1.00 0.00 ATOM 214 CZ TYR 25 31.076 37.914 21.275 1.00 0.00 ATOM 215 OH TYR 25 30.553 39.197 21.348 1.00 0.00 ATOM 216 O TYR 25 32.191 34.330 17.718 1.00 0.00 ATOM 217 C TYR 25 32.738 33.393 18.311 1.00 0.00 ATOM 218 N TYR 26 32.729 32.165 17.841 1.00 0.00 ATOM 219 CA TYR 26 32.104 31.873 16.542 1.00 0.00 ATOM 220 CB TYR 26 33.151 31.421 15.557 1.00 0.00 ATOM 221 CG TYR 26 32.577 31.106 14.198 1.00 0.00 ATOM 222 CD1 TYR 26 31.921 32.093 13.428 1.00 0.00 ATOM 223 CD2 TYR 26 32.688 29.820 13.662 1.00 0.00 ATOM 224 CE1 TYR 26 31.397 31.791 12.171 1.00 0.00 ATOM 225 CE2 TYR 26 32.159 29.508 12.377 1.00 0.00 ATOM 226 CZ TYR 26 31.527 30.489 11.656 1.00 0.00 ATOM 227 OH TYR 26 31.023 30.155 10.420 1.00 0.00 ATOM 228 O TYR 26 31.452 29.723 17.350 1.00 0.00 ATOM 229 C TYR 26 31.097 30.771 16.815 1.00 0.00 ATOM 230 N LEU 27 29.855 31.017 16.412 1.00 0.00 ATOM 231 CA LEU 27 28.761 30.085 16.675 1.00 0.00 ATOM 232 CB LEU 27 27.813 30.643 17.800 1.00 0.00 ATOM 233 CG LEU 27 28.486 31.232 19.059 1.00 0.00 ATOM 234 CD1 LEU 27 28.763 32.718 18.938 1.00 0.00 ATOM 235 CD2 LEU 27 27.688 30.908 20.286 1.00 0.00 ATOM 236 O LEU 27 27.910 30.257 14.452 1.00 0.00 ATOM 237 C LEU 27 27.957 29.605 15.501 1.00 0.00 ATOM 238 N LYS 28 27.305 28.462 15.672 1.00 0.00 ATOM 239 CA LYS 28 26.467 27.901 14.635 1.00 0.00 ATOM 240 CB LYS 28 27.288 26.969 13.744 1.00 0.00 ATOM 241 CG LYS 28 26.552 26.469 12.509 1.00 0.00 ATOM 242 CD LYS 28 26.264 27.608 11.545 1.00 0.00 ATOM 243 CE LYS 28 25.515 27.116 10.314 1.00 0.00 ATOM 244 NZ LYS 28 24.183 26.559 10.667 1.00 0.00 ATOM 245 O LYS 28 25.571 26.379 16.253 1.00 0.00 ATOM 246 C LYS 28 25.377 27.021 15.222 1.00 0.00 ATOM 247 N SER 29 24.227 27.008 14.559 1.00 0.00 ATOM 248 CA SER 29 23.122 26.154 14.970 1.00 0.00 ATOM 249 CB SER 29 21.791 26.788 14.583 1.00 0.00 ATOM 250 OG SER 29 20.752 25.837 14.806 1.00 0.00 ATOM 251 O SER 29 23.316 24.862 12.974 1.00 0.00 ATOM 252 C SER 29 23.239 24.863 14.222 1.00 0.00 ATOM 253 N PHE 30 23.204 23.749 14.935 1.00 0.00 ATOM 254 CA PHE 30 23.312 22.451 14.312 1.00 0.00 ATOM 255 CB PHE 30 24.564 21.684 14.744 1.00 0.00 ATOM 256 CG PHE 30 25.897 22.309 14.483 1.00 0.00 ATOM 257 CD1 PHE 30 26.333 23.420 15.175 1.00 0.00 ATOM 258 CD2 PHE 30 26.748 21.742 13.538 1.00 0.00 ATOM 259 CE1 PHE 30 27.575 23.973 14.924 1.00 0.00 ATOM 260 CE2 PHE 30 27.996 22.277 13.292 1.00 0.00 ATOM 261 CZ PHE 30 28.409 23.395 13.987 1.00 0.00 ATOM 262 O PHE 30 21.655 21.481 15.779 1.00 0.00 ATOM 263 C PHE 30 22.045 21.666 14.610 1.00 0.00 ATOM 264 N GLN 31 21.380 21.231 13.554 1.00 0.00 ATOM 265 CA GLN 31 20.193 20.391 13.658 1.00 0.00 ATOM 266 CB GLN 31 19.154 20.842 12.617 1.00 0.00 ATOM 267 CG GLN 31 19.696 20.753 11.169 1.00 0.00 ATOM 268 CD GLN 31 18.725 21.292 10.105 1.00 0.00 ATOM 269 OE1 GLN 31 19.094 22.141 9.282 1.00 0.00 ATOM 270 NE2 GLN 31 17.497 20.804 10.125 1.00 0.00 ATOM 271 O GLN 31 21.254 18.493 12.626 1.00 0.00 ATOM 272 C GLN 31 20.608 18.923 13.586 1.00 0.00 ATOM 273 N VAL 32 20.249 18.168 14.622 1.00 0.00 ATOM 274 CA VAL 32 20.627 16.779 14.764 1.00 0.00 ATOM 275 CB VAL 32 21.530 16.580 16.000 1.00 0.00 ATOM 276 CG1 VAL 32 22.841 17.325 15.835 1.00 0.00 ATOM 277 CG2 VAL 32 20.805 16.955 17.281 1.00 0.00 ATOM 278 O VAL 32 18.341 16.353 15.242 1.00 0.00 ATOM 279 C VAL 32 19.395 15.896 14.822 1.00 0.00 ATOM 280 N ASP 33 19.501 14.632 14.399 1.00 0.00 ATOM 281 CA ASP 33 18.362 13.719 14.484 1.00 0.00 ATOM 282 CB ASP 33 18.698 12.382 13.820 1.00 0.00 ATOM 283 CG ASP 33 18.762 12.483 12.308 1.00 0.00 ATOM 284 OD1 ASP 33 18.349 13.529 11.764 1.00 0.00 ATOM 285 OD2 ASP 33 19.226 11.516 11.668 1.00 0.00 ATOM 286 O ASP 33 18.606 13.706 16.861 1.00 0.00 ATOM 287 C ASP 33 17.877 13.463 15.909 1.00 0.00 ATOM 288 N GLU 34 16.689 13.003 16.040 1.00 0.00 ATOM 289 CA GLU 34 16.153 12.589 17.332 1.00 0.00 ATOM 290 CB GLU 34 14.811 11.887 17.108 1.00 0.00 ATOM 291 CG GLU 34 14.160 11.376 18.384 1.00 0.00 ATOM 292 CD GLU 34 12.831 10.694 18.125 1.00 0.00 ATOM 293 OE1 GLU 34 12.372 10.707 16.964 1.00 0.00 ATOM 294 OE2 GLU 34 12.248 10.143 19.083 1.00 0.00 ATOM 295 O GLU 34 17.649 10.709 17.312 1.00 0.00 ATOM 296 C GLU 34 17.118 11.590 17.981 1.00 0.00 ATOM 297 N GLY 35 17.340 11.758 19.283 1.00 0.00 ATOM 298 CA GLY 35 18.175 10.846 20.051 1.00 0.00 ATOM 299 O GLY 35 20.494 10.437 20.531 1.00 0.00 ATOM 300 C GLY 35 19.654 11.185 20.002 1.00 0.00 ATOM 301 N ILE 36 19.995 12.304 19.376 1.00 0.00 ATOM 302 CA ILE 36 21.396 12.660 19.243 1.00 0.00 ATOM 303 CB ILE 36 21.546 14.018 18.519 1.00 0.00 ATOM 304 CG1 ILE 36 21.173 13.870 17.039 1.00 0.00 ATOM 305 CG2 ILE 36 22.976 14.539 18.668 1.00 0.00 ATOM 306 CD1 ILE 36 22.002 12.830 16.282 1.00 0.00 ATOM 307 O ILE 36 21.444 13.244 21.566 1.00 0.00 ATOM 308 C ILE 36 22.049 12.777 20.586 1.00 0.00 ATOM 309 N THR 37 23.320 12.378 20.605 1.00 0.00 ATOM 310 CA THR 37 24.158 12.439 21.788 1.00 0.00 ATOM 311 CB THR 37 24.970 11.169 22.011 1.00 0.00 ATOM 312 CG2 THR 37 24.089 9.979 22.399 1.00 0.00 ATOM 313 OG1 THR 37 25.634 10.739 20.804 1.00 0.00 ATOM 314 O THR 37 25.517 13.880 20.434 1.00 0.00 ATOM 315 C THR 37 25.318 13.400 21.548 1.00 0.00 ATOM 316 N VAL 38 26.114 13.670 22.579 1.00 0.00 ATOM 317 CA VAL 38 27.258 14.560 22.446 1.00 0.00 ATOM 318 CB VAL 38 28.008 14.751 23.747 1.00 0.00 ATOM 319 CG1 VAL 38 29.261 15.588 23.523 1.00 0.00 ATOM 320 CG2 VAL 38 27.080 15.439 24.749 1.00 0.00 ATOM 321 O VAL 38 28.715 14.772 20.540 1.00 0.00 ATOM 322 C VAL 38 28.206 14.015 21.374 1.00 0.00 ATOM 323 N GLN 39 28.521 12.666 21.404 1.00 0.00 ATOM 324 CA GLN 39 29.448 12.080 20.430 1.00 0.00 ATOM 325 CB GLN 39 29.496 10.606 20.469 1.00 0.00 ATOM 326 CG GLN 39 30.616 10.011 19.623 1.00 0.00 ATOM 327 CD GLN 39 30.700 8.492 19.753 1.00 0.00 ATOM 328 OE1 GLN 39 31.819 7.885 19.831 1.00 0.00 ATOM 329 NE2 GLN 39 29.558 7.872 19.801 1.00 0.00 ATOM 330 O GLN 39 29.779 12.652 18.095 1.00 0.00 ATOM 331 C GLN 39 28.960 12.368 18.985 1.00 0.00 ATOM 332 N THR 40 27.644 12.290 18.761 1.00 0.00 ATOM 333 CA THR 40 27.094 12.565 17.414 1.00 0.00 ATOM 334 CB THR 40 25.620 12.132 17.425 1.00 0.00 ATOM 335 CG2 THR 40 24.986 12.367 16.016 1.00 0.00 ATOM 336 OG1 THR 40 25.487 10.731 17.718 1.00 0.00 ATOM 337 O THR 40 27.679 14.302 15.795 1.00 0.00 ATOM 338 C THR 40 27.368 14.011 16.960 1.00 0.00 ATOM 339 N ALA 41 27.224 14.913 17.933 1.00 0.00 ATOM 340 CA ALA 41 27.483 16.313 17.669 1.00 0.00 ATOM 341 CB ALA 41 27.103 17.145 18.894 1.00 0.00 ATOM 342 O ALA 41 29.260 17.321 16.410 1.00 0.00 ATOM 343 C ALA 41 28.956 16.553 17.331 1.00 0.00 ATOM 344 N ILE 42 29.884 15.934 18.067 1.00 0.00 ATOM 345 CA ILE 42 31.290 16.121 17.812 1.00 0.00 ATOM 346 CB ILE 42 32.114 15.507 19.001 1.00 0.00 ATOM 347 CG1 ILE 42 31.827 16.100 20.384 1.00 0.00 ATOM 348 CG2 ILE 42 33.596 15.577 18.697 1.00 0.00 ATOM 349 CD1 ILE 42 32.588 15.407 21.503 1.00 0.00 ATOM 350 O ILE 42 32.390 16.133 15.684 1.00 0.00 ATOM 351 C ILE 42 31.646 15.529 16.452 1.00 0.00 ATOM 352 N THR 43 31.103 14.354 16.122 1.00 0.00 ATOM 353 CA THR 43 31.279 13.785 14.819 1.00 0.00 ATOM 354 CB THR 43 30.605 12.418 14.602 1.00 0.00 ATOM 355 CG2 THR 43 30.826 11.935 13.177 1.00 0.00 ATOM 356 OG1 THR 43 31.162 11.459 15.508 1.00 0.00 ATOM 357 O THR 43 31.433 14.905 12.698 1.00 0.00 ATOM 358 C THR 43 30.774 14.719 13.720 1.00 0.00 ATOM 359 N GLN 44 29.629 15.309 13.958 1.00 0.00 ATOM 360 CA GLN 44 29.056 16.240 12.994 1.00 0.00 ATOM 361 CB GLN 44 27.640 16.653 13.435 1.00 0.00 ATOM 362 CG GLN 44 26.612 15.527 13.358 1.00 0.00 ATOM 363 CD GLN 44 26.482 14.946 11.960 1.00 0.00 ATOM 364 OE1 GLN 44 26.171 15.657 11.007 1.00 0.00 ATOM 365 NE2 GLN 44 26.718 13.645 11.833 1.00 0.00 ATOM 366 O GLN 44 30.063 18.006 11.778 1.00 0.00 ATOM 367 C GLN 44 29.936 17.484 12.890 1.00 0.00 ATOM 368 N SER 45 30.502 18.005 13.975 1.00 0.00 ATOM 369 CA SER 45 31.356 19.185 13.899 1.00 0.00 ATOM 370 CB SER 45 31.861 19.571 15.290 1.00 0.00 ATOM 371 OG SER 45 30.801 20.034 16.108 1.00 0.00 ATOM 372 O SER 45 32.955 19.627 12.154 1.00 0.00 ATOM 373 C SER 45 32.551 18.835 13.011 1.00 0.00 ATOM 374 N GLY 46 33.122 17.644 13.207 1.00 0.00 ATOM 375 CA GLY 46 34.258 17.202 12.418 1.00 0.00 ATOM 376 O GLY 46 34.692 17.426 10.047 1.00 0.00 ATOM 377 C GLY 46 33.884 17.064 10.934 1.00 0.00 ATOM 378 N ILE 47 32.682 16.564 10.660 1.00 0.00 ATOM 379 CA ILE 47 32.210 16.419 9.294 1.00 0.00 ATOM 380 CB ILE 47 30.856 15.688 9.243 1.00 0.00 ATOM 381 CG1 ILE 47 31.015 14.238 9.709 1.00 0.00 ATOM 382 CG2 ILE 47 30.307 15.679 7.825 1.00 0.00 ATOM 383 CD1 ILE 47 29.702 13.524 9.943 1.00 0.00 ATOM 384 O ILE 47 32.667 18.001 7.545 1.00 0.00 ATOM 385 C ILE 47 32.128 17.789 8.633 1.00 0.00 ATOM 386 N LEU 48 31.411 18.785 9.295 1.00 0.00 ATOM 387 CA LEU 48 31.244 20.124 8.742 1.00 0.00 ATOM 388 CB LEU 48 30.132 20.891 9.498 1.00 0.00 ATOM 389 CG LEU 48 28.720 20.321 9.351 1.00 0.00 ATOM 390 CD1 LEU 48 27.719 21.105 10.215 1.00 0.00 ATOM 391 CD2 LEU 48 28.265 20.316 7.918 1.00 0.00 ATOM 392 O LEU 48 32.749 21.744 7.790 1.00 0.00 ATOM 393 C LEU 48 32.562 20.903 8.667 1.00 0.00 ATOM 394 N SER 49 33.480 20.610 9.470 1.00 0.00 ATOM 395 CA SER 49 34.740 21.326 9.561 1.00 0.00 ATOM 396 CB SER 49 34.718 22.331 10.722 1.00 0.00 ATOM 397 OG SER 49 33.637 23.235 10.591 1.00 0.00 ATOM 398 O SER 49 35.872 19.524 10.673 1.00 0.00 ATOM 399 C SER 49 35.717 20.149 9.623 1.00 0.00 ATOM 400 N GLN 50 36.383 19.899 8.558 1.00 0.00 ATOM 401 CA GLN 50 37.395 18.845 8.531 1.00 0.00 ATOM 402 CB GLN 50 37.795 18.798 6.788 1.00 0.00 ATOM 403 CG GLN 50 36.717 19.023 5.693 1.00 0.00 ATOM 404 CD GLN 50 35.908 20.285 5.955 1.00 0.00 ATOM 405 OE1 GLN 50 34.664 20.296 5.941 1.00 0.00 ATOM 406 NE2 GLN 50 36.612 21.340 6.196 1.00 0.00 ATOM 407 O GLN 50 39.250 18.078 9.811 1.00 0.00 ATOM 408 C GLN 50 38.629 19.060 9.369 1.00 0.00 ATOM 409 N PHE 51 38.995 20.374 9.649 1.00 0.00 ATOM 410 CA PHE 51 40.180 20.610 10.461 1.00 0.00 ATOM 411 CB PHE 51 40.496 22.115 10.585 1.00 0.00 ATOM 412 CG PHE 51 41.718 22.408 11.386 1.00 0.00 ATOM 413 CD1 PHE 51 42.983 22.305 10.808 1.00 0.00 ATOM 414 CD2 PHE 51 41.608 22.761 12.725 1.00 0.00 ATOM 415 CE1 PHE 51 44.126 22.546 11.536 1.00 0.00 ATOM 416 CE2 PHE 51 42.758 23.007 13.483 1.00 0.00 ATOM 417 CZ PHE 51 44.017 22.901 12.893 1.00 0.00 ATOM 418 O PHE 51 40.779 19.352 12.415 1.00 0.00 ATOM 419 C PHE 51 39.929 20.061 11.847 1.00 0.00 ATOM 420 N PRO 52 38.764 20.260 12.461 1.00 0.00 ATOM 421 CA PRO 52 38.447 19.675 13.752 1.00 0.00 ATOM 422 CB PRO 52 37.118 20.426 14.108 1.00 0.00 ATOM 423 CG PRO 52 36.934 21.552 13.087 1.00 0.00 ATOM 424 CD PRO 52 37.865 21.260 11.948 1.00 0.00 ATOM 425 O PRO 52 38.510 17.638 15.022 1.00 0.00 ATOM 426 C PRO 52 38.509 18.155 13.896 1.00 0.00 ATOM 427 N GLU 53 38.522 17.427 12.785 1.00 0.00 ATOM 428 CA GLU 53 38.533 15.959 12.874 1.00 0.00 ATOM 429 CB GLU 53 38.537 15.393 11.411 1.00 0.00 ATOM 430 CG GLU 53 37.241 15.681 10.642 1.00 0.00 ATOM 431 CD GLU 53 37.290 15.283 9.180 1.00 0.00 ATOM 432 OE1 GLU 53 38.356 15.453 8.547 1.00 0.00 ATOM 433 OE2 GLU 53 36.253 14.819 8.653 1.00 0.00 ATOM 434 O GLU 53 39.647 14.415 14.333 1.00 0.00 ATOM 435 C GLU 53 39.745 15.444 13.649 1.00 0.00 ATOM 436 N ILE 54 40.856 16.176 13.545 1.00 0.00 ATOM 437 CA ILE 54 42.161 15.802 14.107 1.00 0.00 ATOM 438 CB ILE 54 43.324 16.365 13.270 1.00 0.00 ATOM 439 CG1 ILE 54 43.317 17.895 13.310 1.00 0.00 ATOM 440 CG2 ILE 54 43.203 15.919 11.821 1.00 0.00 ATOM 441 CD1 ILE 54 44.545 18.527 12.689 1.00 0.00 ATOM 442 O ILE 54 43.559 16.336 15.975 1.00 0.00 ATOM 443 C ILE 54 42.435 16.418 15.474 1.00 0.00 ATOM 444 N ASP 55 41.292 17.093 16.013 1.00 0.00 ATOM 445 CA ASP 55 41.392 17.701 17.345 1.00 0.00 ATOM 446 CB ASP 55 41.748 19.310 16.804 1.00 0.00 ATOM 447 CG ASP 55 40.403 19.940 16.479 1.00 0.00 ATOM 448 OD1 ASP 55 39.365 19.399 16.901 1.00 0.00 ATOM 449 OD2 ASP 55 40.401 20.987 15.803 1.00 0.00 ATOM 450 O ASP 55 39.765 17.146 19.079 1.00 0.00 ATOM 451 C ASP 55 40.905 16.959 18.597 1.00 0.00 ATOM 452 N LEU 56 41.783 16.083 19.085 1.00 0.00 ATOM 453 CA LEU 56 41.485 15.240 20.244 1.00 0.00 ATOM 454 CB LEU 56 41.747 13.794 19.915 1.00 0.00 ATOM 455 CG LEU 56 40.996 13.219 18.742 1.00 0.00 ATOM 456 CD1 LEU 56 41.336 11.781 18.565 1.00 0.00 ATOM 457 CD2 LEU 56 39.514 13.361 18.928 1.00 0.00 ATOM 458 O LEU 56 43.565 16.253 20.922 1.00 0.00 ATOM 459 C LEU 56 42.457 15.825 21.263 1.00 0.00 ATOM 460 N SER 57 42.025 15.781 22.623 1.00 0.00 ATOM 461 CA SER 57 42.817 16.295 23.732 1.00 0.00 ATOM 462 CB SER 57 43.897 14.941 23.854 1.00 0.00 ATOM 463 OG SER 57 44.886 15.192 22.871 1.00 0.00 ATOM 464 O SER 57 43.529 18.577 23.765 1.00 0.00 ATOM 465 C SER 57 43.071 17.656 23.103 1.00 0.00 ATOM 466 N THR 58 42.709 17.801 21.838 1.00 0.00 ATOM 467 CA THR 58 42.751 19.110 21.202 1.00 0.00 ATOM 468 CB THR 58 43.646 18.878 19.808 1.00 0.00 ATOM 469 CG2 THR 58 43.638 20.138 18.979 1.00 0.00 ATOM 470 OG1 THR 58 45.004 18.523 20.081 1.00 0.00 ATOM 471 O THR 58 40.973 20.040 19.883 1.00 0.00 ATOM 472 C THR 58 41.321 19.592 20.977 1.00 0.00 ATOM 473 N ASN 59 40.496 19.477 22.100 1.00 0.00 ATOM 474 CA ASN 59 39.112 19.903 21.999 1.00 0.00 ATOM 475 CB ASN 59 38.509 19.092 20.875 1.00 0.00 ATOM 476 CG ASN 59 37.033 19.451 20.730 1.00 0.00 ATOM 477 ND2 ASN 59 36.542 19.405 19.488 1.00 0.00 ATOM 478 OD1 ASN 59 36.334 19.742 21.713 1.00 0.00 ATOM 479 O ASN 59 38.420 18.063 23.340 1.00 0.00 ATOM 480 C ASN 59 38.435 19.284 23.204 1.00 0.00 ATOM 481 N LYS 60 37.807 20.128 24.018 1.00 0.00 ATOM 482 CA LYS 60 36.840 19.669 25.004 1.00 0.00 ATOM 483 CB LYS 60 37.313 20.015 26.418 1.00 0.00 ATOM 484 CG LYS 60 38.574 19.281 26.847 1.00 0.00 ATOM 485 CD LYS 60 38.977 19.660 28.263 1.00 0.00 ATOM 486 CE LYS 60 40.222 18.905 28.700 1.00 0.00 ATOM 487 NZ LYS 60 40.619 19.249 30.094 1.00 0.00 ATOM 488 O LYS 60 35.459 21.291 23.894 1.00 0.00 ATOM 489 C LYS 60 35.522 20.327 24.682 1.00 0.00 ATOM 490 N ILE 61 34.451 19.769 25.240 1.00 0.00 ATOM 491 CA ILE 61 33.110 20.345 25.017 1.00 0.00 ATOM 492 CB ILE 61 32.332 19.539 23.917 1.00 0.00 ATOM 493 CG1 ILE 61 32.176 18.080 24.349 1.00 0.00 ATOM 494 CG2 ILE 61 33.045 19.624 22.573 1.00 0.00 ATOM 495 CD1 ILE 61 30.971 17.824 25.234 1.00 0.00 ATOM 496 O ILE 61 32.532 19.528 27.193 1.00 0.00 ATOM 497 C ILE 61 32.337 20.387 26.312 1.00 0.00 ATOM 498 N GLY 62 31.458 21.362 26.439 1.00 0.00 ATOM 499 CA GLY 62 30.556 21.433 27.574 1.00 0.00 ATOM 500 O GLY 62 28.921 22.452 26.148 1.00 0.00 ATOM 501 C GLY 62 29.157 21.681 27.100 1.00 0.00 ATOM 502 N ILE 63 28.139 21.074 27.826 1.00 0.00 ATOM 503 CA ILE 63 26.735 21.280 27.498 1.00 0.00 ATOM 504 CB ILE 63 26.026 19.933 27.143 1.00 0.00 ATOM 505 CG1 ILE 63 24.579 20.180 26.720 1.00 0.00 ATOM 506 CG2 ILE 63 26.084 18.999 28.342 1.00 0.00 ATOM 507 CD1 ILE 63 23.830 18.919 26.324 1.00 0.00 ATOM 508 O ILE 63 26.134 21.531 29.855 1.00 0.00 ATOM 509 C ILE 63 26.112 21.990 28.704 1.00 0.00 ATOM 510 N PHE 64 25.556 23.289 28.240 1.00 0.00 ATOM 511 CA PHE 64 25.030 24.222 29.223 1.00 0.00 ATOM 512 CB PHE 64 23.443 23.979 29.395 1.00 0.00 ATOM 513 CG PHE 64 23.212 22.726 30.226 1.00 0.00 ATOM 514 CD1 PHE 64 23.374 21.473 29.663 1.00 0.00 ATOM 515 CD2 PHE 64 22.815 22.816 31.550 1.00 0.00 ATOM 516 CE1 PHE 64 23.168 20.320 30.398 1.00 0.00 ATOM 517 CE2 PHE 64 22.602 21.658 32.292 1.00 0.00 ATOM 518 CZ PHE 64 22.804 20.424 31.727 1.00 0.00 ATOM 519 O PHE 64 25.584 24.185 31.590 1.00 0.00 ATOM 520 C PHE 64 25.985 24.332 30.420 1.00 0.00 ATOM 521 N SER 65 27.258 24.557 30.119 1.00 0.00 ATOM 522 CA SER 65 28.250 24.802 31.144 1.00 0.00 ATOM 523 CB SER 65 27.485 26.486 31.514 1.00 0.00 ATOM 524 OG SER 65 27.060 26.250 32.845 1.00 0.00 ATOM 525 O SER 65 29.654 23.771 32.724 1.00 0.00 ATOM 526 C SER 65 28.799 23.593 31.858 1.00 0.00 ATOM 527 N ARG 66 28.329 22.386 31.528 1.00 0.00 ATOM 528 CA ARG 66 28.751 21.175 32.247 1.00 0.00 ATOM 529 CB ARG 66 27.501 20.575 32.930 1.00 0.00 ATOM 530 CG ARG 66 26.740 21.585 33.767 1.00 0.00 ATOM 531 CD ARG 66 25.819 20.972 34.819 1.00 0.00 ATOM 532 NE ARG 66 25.174 22.020 35.618 1.00 0.00 ATOM 533 CZ ARG 66 23.995 21.906 36.236 1.00 0.00 ATOM 534 NH1 ARG 66 23.291 20.778 36.177 1.00 0.00 ATOM 535 NH2 ARG 66 23.519 22.941 36.928 1.00 0.00 ATOM 536 O ARG 66 29.142 19.924 30.253 1.00 0.00 ATOM 537 C ARG 66 29.504 20.160 31.410 1.00 0.00 ATOM 538 N PRO 67 30.539 19.548 31.963 1.00 0.00 ATOM 539 CA PRO 67 31.176 18.419 31.310 1.00 0.00 ATOM 540 CB PRO 67 32.459 18.202 32.115 1.00 0.00 ATOM 541 CG PRO 67 32.151 18.752 33.466 1.00 0.00 ATOM 542 CD PRO 67 31.214 19.906 33.242 1.00 0.00 ATOM 543 O PRO 67 29.621 16.941 32.447 1.00 0.00 ATOM 544 C PRO 67 30.232 17.228 31.383 1.00 0.00 ATOM 545 N ILE 68 30.127 16.525 30.261 1.00 0.00 ATOM 546 CA ILE 68 29.218 15.384 30.150 1.00 0.00 ATOM 547 CB ILE 68 27.971 15.753 29.378 1.00 0.00 ATOM 548 CG1 ILE 68 28.276 16.169 27.929 1.00 0.00 ATOM 549 CG2 ILE 68 27.258 16.890 30.171 1.00 0.00 ATOM 550 CD1 ILE 68 27.083 16.467 27.050 1.00 0.00 ATOM 551 O ILE 68 30.924 14.422 28.737 1.00 0.00 ATOM 552 C ILE 68 29.872 14.248 29.368 1.00 0.00 ATOM 553 N LYS 69 29.194 13.097 29.357 1.00 0.00 ATOM 554 CA LYS 69 29.691 11.955 28.617 1.00 0.00 ATOM 555 CB LYS 69 29.053 10.661 29.132 1.00 0.00 ATOM 556 CG LYS 69 29.487 10.272 30.536 1.00 0.00 ATOM 557 CD LYS 69 28.797 8.997 30.993 1.00 0.00 ATOM 558 CE LYS 69 29.247 8.594 32.386 1.00 0.00 ATOM 559 NZ LYS 69 28.560 7.360 32.858 1.00 0.00 ATOM 560 O LYS 69 28.424 12.802 26.733 1.00 0.00 ATOM 561 C LYS 69 29.373 12.091 27.118 1.00 0.00 ATOM 562 N LEU 70 30.030 11.272 26.305 1.00 0.00 ATOM 563 CA LEU 70 29.725 11.287 24.872 1.00 0.00 ATOM 564 CB LEU 70 30.845 10.549 24.079 1.00 0.00 ATOM 565 CG LEU 70 32.244 11.193 24.201 1.00 0.00 ATOM 566 CD1 LEU 70 33.225 10.395 23.351 1.00 0.00 ATOM 567 CD2 LEU 70 32.236 12.684 23.896 1.00 0.00 ATOM 568 O LEU 70 27.757 11.079 23.563 1.00 0.00 ATOM 569 C LEU 70 28.346 10.740 24.570 1.00 0.00 ATOM 570 N THR 71 27.774 9.969 25.485 1.00 0.00 ATOM 571 CA THR 71 26.456 9.410 25.250 1.00 0.00 ATOM 572 CB THR 71 26.335 7.989 25.828 1.00 0.00 ATOM 573 CG2 THR 71 27.354 7.061 25.180 1.00 0.00 ATOM 574 OG1 THR 71 26.575 8.022 27.242 1.00 0.00 ATOM 575 O THR 71 24.169 9.846 25.778 1.00 0.00 ATOM 576 C THR 71 25.319 10.260 25.810 1.00 0.00 ATOM 577 N ASP 72 25.687 11.410 26.363 1.00 0.00 ATOM 578 CA ASP 72 24.681 12.308 26.929 1.00 0.00 ATOM 579 CB ASP 72 25.350 13.559 27.502 1.00 0.00 ATOM 580 CG ASP 72 24.372 14.462 28.227 1.00 0.00 ATOM 581 OD1 ASP 72 23.164 14.146 28.237 1.00 0.00 ATOM 582 OD2 ASP 72 24.814 15.489 28.786 1.00 0.00 ATOM 583 O ASP 72 24.164 13.250 24.782 1.00 0.00 ATOM 584 C ASP 72 23.722 12.735 25.826 1.00 0.00 ATOM 585 N VAL 73 22.431 12.606 26.086 1.00 0.00 ATOM 586 CA VAL 73 21.411 12.954 25.118 1.00 0.00 ATOM 587 CB VAL 73 20.056 12.312 25.474 1.00 0.00 ATOM 588 CG1 VAL 73 18.984 12.756 24.492 1.00 0.00 ATOM 589 CG2 VAL 73 20.157 10.796 25.426 1.00 0.00 ATOM 590 O VAL 73 21.047 15.111 26.110 1.00 0.00 ATOM 591 C VAL 73 21.249 14.473 25.073 1.00 0.00 ATOM 592 N LEU 74 21.290 15.032 23.862 1.00 0.00 ATOM 593 CA LEU 74 21.077 16.467 23.678 1.00 0.00 ATOM 594 CB LEU 74 21.687 16.939 22.355 1.00 0.00 ATOM 595 CG LEU 74 23.205 16.797 22.223 1.00 0.00 ATOM 596 CD1 LEU 74 23.662 17.206 20.830 1.00 0.00 ATOM 597 CD2 LEU 74 23.918 17.679 23.235 1.00 0.00 ATOM 598 O LEU 74 18.776 16.144 23.069 1.00 0.00 ATOM 599 C LEU 74 19.611 16.863 23.625 1.00 0.00 ATOM 600 N LYS 75 19.288 18.023 24.181 1.00 0.00 ATOM 601 CA LYS 75 17.926 18.534 24.205 1.00 0.00 ATOM 602 CB LYS 75 17.586 19.038 25.622 1.00 0.00 ATOM 603 CG LYS 75 17.693 17.968 26.706 1.00 0.00 ATOM 604 CD LYS 75 16.467 17.138 26.731 1.00 0.00 ATOM 605 CE LYS 75 16.468 16.184 27.923 1.00 0.00 ATOM 606 NZ LYS 75 17.190 14.907 27.571 1.00 0.00 ATOM 607 O LYS 75 18.878 20.398 23.038 1.00 0.00 ATOM 608 C LYS 75 17.840 19.775 23.355 1.00 0.00 ATOM 609 N GLU 76 16.632 20.041 22.840 1.00 0.00 ATOM 610 CA GLU 76 16.414 21.198 22.004 1.00 0.00 ATOM 611 CB GLU 76 14.948 21.279 21.577 1.00 0.00 ATOM 612 CG GLU 76 14.643 22.422 20.622 1.00 0.00 ATOM 613 CD GLU 76 13.193 22.439 20.180 1.00 0.00 ATOM 614 OE1 GLU 76 12.433 21.540 20.594 1.00 0.00 ATOM 615 OE2 GLU 76 12.816 23.355 19.416 1.00 0.00 ATOM 616 O GLU 76 16.388 22.603 23.965 1.00 0.00 ATOM 617 C GLU 76 16.789 22.444 22.806 1.00 0.00 ATOM 618 N GLY 77 17.626 23.317 22.200 1.00 0.00 ATOM 619 CA GLY 77 18.058 24.531 22.855 1.00 0.00 ATOM 620 O GLY 77 19.782 25.409 24.254 1.00 0.00 ATOM 621 C GLY 77 19.349 24.424 23.670 1.00 0.00 ATOM 622 N ASP 78 19.941 23.232 23.766 1.00 0.00 ATOM 623 CA ASP 78 21.190 23.109 24.526 1.00 0.00 ATOM 624 CB ASP 78 21.545 21.618 24.714 1.00 0.00 ATOM 625 CG ASP 78 20.696 20.921 25.771 1.00 0.00 ATOM 626 OD1 ASP 78 20.530 19.688 25.682 1.00 0.00 ATOM 627 OD2 ASP 78 20.211 21.598 26.703 1.00 0.00 ATOM 628 O ASP 78 22.239 24.224 22.664 1.00 0.00 ATOM 629 C ASP 78 22.273 23.965 23.888 1.00 0.00 ATOM 630 N ARG 79 23.171 24.481 24.710 1.00 0.00 ATOM 631 CA ARG 79 24.311 25.268 24.247 1.00 0.00 ATOM 632 CB ARG 79 24.442 26.544 25.088 1.00 0.00 ATOM 633 CG ARG 79 23.317 27.546 24.775 1.00 0.00 ATOM 634 CD ARG 79 23.254 28.794 25.746 1.00 0.00 ATOM 635 NE ARG 79 22.748 28.430 27.087 1.00 0.00 ATOM 636 CZ ARG 79 23.461 28.382 28.203 1.00 0.00 ATOM 637 NH1 ARG 79 24.754 28.686 28.208 1.00 0.00 ATOM 638 NH2 ARG 79 22.874 28.021 29.343 1.00 0.00 ATOM 639 O ARG 79 25.661 23.752 25.480 1.00 0.00 ATOM 640 C ARG 79 25.561 24.405 24.439 1.00 0.00 ATOM 641 N ILE 80 26.356 24.224 23.420 1.00 0.00 ATOM 642 CA ILE 80 27.508 23.358 23.515 1.00 0.00 ATOM 643 CB ILE 80 27.457 22.230 22.466 1.00 0.00 ATOM 644 CG1 ILE 80 26.281 21.301 22.781 1.00 0.00 ATOM 645 CG2 ILE 80 28.771 21.452 22.485 1.00 0.00 ATOM 646 CD1 ILE 80 26.360 20.643 24.137 1.00 0.00 ATOM 647 O ILE 80 28.823 24.789 22.145 1.00 0.00 ATOM 648 C ILE 80 28.718 24.216 23.241 1.00 0.00 ATOM 649 N GLU 81 29.696 24.218 24.145 1.00 0.00 ATOM 650 CA GLU 81 30.930 24.946 23.932 1.00 0.00 ATOM 651 CB GLU 81 31.458 25.554 25.233 1.00 0.00 ATOM 652 CG GLU 81 30.558 26.625 25.827 1.00 0.00 ATOM 653 CD GLU 81 31.117 27.210 27.109 1.00 0.00 ATOM 654 OE1 GLU 81 32.194 26.754 27.551 1.00 0.00 ATOM 655 OE2 GLU 81 30.480 28.125 27.674 1.00 0.00 ATOM 656 O GLU 81 32.281 22.968 24.021 1.00 0.00 ATOM 657 C GLU 81 32.031 24.017 23.427 1.00 0.00 ATOM 658 N ILE 82 32.757 24.462 22.417 1.00 0.00 ATOM 659 CA ILE 82 33.866 23.689 21.855 1.00 0.00 ATOM 660 CB ILE 82 33.595 23.270 20.365 1.00 0.00 ATOM 661 CG1 ILE 82 32.125 22.868 20.069 1.00 0.00 ATOM 662 CG2 ILE 82 34.560 22.104 20.011 1.00 0.00 ATOM 663 CD1 ILE 82 31.691 21.834 20.747 1.00 0.00 ATOM 664 O ILE 82 35.215 25.622 21.543 1.00 0.00 ATOM 665 C ILE 82 35.132 24.494 22.038 1.00 0.00 ATOM 666 N TYR 83 36.073 23.907 22.900 1.00 0.00 ATOM 667 CA TYR 83 37.109 24.862 23.295 1.00 0.00 ATOM 668 CB TYR 83 36.497 25.837 24.324 1.00 0.00 ATOM 669 CG TYR 83 35.900 25.115 25.507 1.00 0.00 ATOM 670 CD1 TYR 83 36.673 24.807 26.615 1.00 0.00 ATOM 671 CD2 TYR 83 34.568 24.725 25.512 1.00 0.00 ATOM 672 CE1 TYR 83 36.140 24.143 27.692 1.00 0.00 ATOM 673 CE2 TYR 83 34.025 24.058 26.593 1.00 0.00 ATOM 674 CZ TYR 83 34.814 23.767 27.681 1.00 0.00 ATOM 675 OH TYR 83 34.291 23.094 28.767 1.00 0.00 ATOM 676 O TYR 83 38.432 22.956 23.933 1.00 0.00 ATOM 677 C TYR 83 38.406 24.169 23.686 1.00 0.00 ATOM 678 N ARG 84 39.522 24.900 23.675 1.00 0.00 ATOM 679 CA ARG 84 40.754 24.326 24.238 1.00 0.00 ATOM 680 CB ARG 84 41.898 25.317 24.101 1.00 0.00 ATOM 681 CG ARG 84 42.371 25.535 22.683 1.00 0.00 ATOM 682 CD ARG 84 43.027 24.285 22.146 1.00 0.00 ATOM 683 NE ARG 84 44.269 23.968 22.847 1.00 0.00 ATOM 684 CZ ARG 84 44.727 22.732 23.019 1.00 0.00 ATOM 685 NH1 ARG 84 44.037 21.700 22.548 1.00 0.00 ATOM 686 NH2 ARG 84 45.871 22.527 23.660 1.00 0.00 ATOM 687 O ARG 84 39.817 24.944 26.329 1.00 0.00 ATOM 688 C ARG 84 40.577 24.176 25.750 1.00 0.00 ATOM 689 N PRO 85 41.152 23.147 26.367 1.00 0.00 ATOM 690 CA PRO 85 40.967 22.978 27.810 1.00 0.00 ATOM 691 CB PRO 85 41.775 21.699 28.150 1.00 0.00 ATOM 692 CG PRO 85 41.965 21.048 26.881 1.00 0.00 ATOM 693 CD PRO 85 42.129 22.196 25.887 1.00 0.00 ATOM 694 O PRO 85 42.358 24.937 28.385 1.00 0.00 ATOM 695 C PRO 85 41.306 24.260 28.609 1.00 0.00 ATOM 696 N LEU 86 40.442 24.577 29.541 1.00 0.00 ATOM 697 CA LEU 86 40.668 25.783 30.357 1.00 0.00 ATOM 698 CB LEU 86 39.463 25.965 31.284 1.00 0.00 ATOM 699 CG LEU 86 39.493 27.189 32.202 1.00 0.00 ATOM 700 CD1 LEU 86 39.554 28.471 31.388 1.00 0.00 ATOM 701 CD2 LEU 86 38.247 27.237 33.073 1.00 0.00 ATOM 702 O LEU 86 42.767 26.538 31.253 1.00 0.00 ATOM 703 C LEU 86 41.946 25.624 31.184 1.00 0.00 ATOM 704 N LEU 87 42.104 24.478 31.824 1.00 0.00 ATOM 705 CA LEU 87 43.297 24.237 32.622 1.00 0.00 ATOM 706 CB LEU 87 43.224 22.863 33.289 1.00 0.00 ATOM 707 CG LEU 87 42.144 22.685 34.359 1.00 0.00 ATOM 708 CD1 LEU 87 42.095 21.242 34.839 1.00 0.00 ATOM 709 CD2 LEU 87 42.428 23.574 35.560 1.00 0.00 ATOM 710 O LEU 87 45.637 24.560 32.430 1.00 0.00 ATOM 711 C LEU 87 44.586 24.294 31.832 1.00 0.00 ATOM 712 N ALA 88 44.505 24.013 30.540 1.00 0.00 ATOM 713 CA ALA 88 45.722 24.071 29.695 1.00 0.00 ATOM 714 CB ALA 88 45.449 23.443 28.336 1.00 0.00 ATOM 715 O ALA 88 47.489 25.700 29.615 1.00 0.00 ATOM 716 C ALA 88 46.279 25.487 29.534 1.00 0.00 ATOM 717 N ASP 89 45.373 26.433 29.322 1.00 0.00 ATOM 718 CA ASP 89 45.755 27.833 29.142 1.00 0.00 ATOM 719 CB ASP 89 46.792 27.987 28.253 1.00 0.00 ATOM 720 CG ASP 89 46.903 29.392 27.718 1.00 0.00 ATOM 721 OD1 ASP 89 46.595 30.387 28.411 1.00 0.00 ATOM 722 OD2 ASP 89 47.329 29.506 26.563 1.00 0.00 ATOM 723 O ASP 89 43.671 29.019 28.827 1.00 0.00 ATOM 724 C ASP 89 44.615 28.756 29.591 1.00 0.00 ATOM 725 N PRO 90 44.655 29.206 30.841 1.00 0.00 ATOM 726 CA PRO 90 43.548 30.008 31.364 1.00 0.00 ATOM 727 CB PRO 90 43.977 30.348 32.793 1.00 0.00 ATOM 728 CG PRO 90 44.785 29.172 33.230 1.00 0.00 ATOM 729 CD PRO 90 45.618 28.775 32.045 1.00 0.00 ATOM 730 O PRO 90 42.223 31.547 30.103 1.00 0.00 ATOM 731 C PRO 90 43.349 31.285 30.545 1.00 0.00 ATOM 732 N LYS 91 44.380 32.028 30.306 1.00 0.00 ATOM 733 CA LYS 91 44.240 33.277 29.553 1.00 0.00 ATOM 734 CB LYS 91 45.520 34.105 29.646 1.00 0.00 ATOM 735 CG LYS 91 45.738 34.718 31.013 1.00 0.00 ATOM 736 CD LYS 91 47.087 35.417 31.060 1.00 0.00 ATOM 737 CE LYS 91 47.316 36.163 32.303 1.00 0.00 ATOM 738 NZ LYS 91 48.604 36.926 32.214 1.00 0.00 ATOM 739 O LYS 91 43.120 33.760 27.494 1.00 0.00 ATOM 740 C LYS 91 43.880 33.006 28.096 1.00 0.00 ATOM 741 N GLU 92 44.418 31.929 27.532 1.00 0.00 ATOM 742 CA GLU 92 44.120 31.591 26.144 1.00 0.00 ATOM 743 CB GLU 92 44.868 30.432 25.635 1.00 0.00 ATOM 744 CG GLU 92 44.780 30.294 24.116 1.00 0.00 ATOM 745 CD GLU 92 45.702 29.229 23.548 1.00 0.00 ATOM 746 OE1 GLU 92 46.677 28.830 24.224 1.00 0.00 ATOM 747 OE2 GLU 92 45.452 28.795 22.411 1.00 0.00 ATOM 748 O GLU 92 41.965 31.676 25.067 1.00 0.00 ATOM 749 C GLU 92 42.638 31.236 26.001 1.00 0.00 ATOM 750 N ILE 93 42.126 30.484 26.955 1.00 0.00 ATOM 751 CA ILE 93 40.727 30.090 26.949 1.00 0.00 ATOM 752 CB ILE 93 40.367 29.028 28.010 1.00 0.00 ATOM 753 CG1 ILE 93 41.114 27.705 27.726 1.00 0.00 ATOM 754 CG2 ILE 93 38.859 28.844 28.089 1.00 0.00 ATOM 755 CD1 ILE 93 41.224 27.290 26.259 1.00 0.00 ATOM 756 O ILE 93 38.740 31.384 26.586 1.00 0.00 ATOM 757 C ILE 93 39.829 31.306 27.157 1.00 0.00 ATOM 758 N ARG 94 40.291 32.238 27.955 1.00 0.00 ATOM 759 CA ARG 94 39.523 33.454 28.228 1.00 0.00 ATOM 760 CB ARG 94 40.178 34.287 29.338 1.00 0.00 ATOM 761 CG ARG 94 39.903 33.758 30.726 1.00 0.00 ATOM 762 CD ARG 94 40.245 34.814 31.783 1.00 0.00 ATOM 763 NE ARG 94 40.371 34.160 33.075 1.00 0.00 ATOM 764 CZ ARG 94 39.441 33.659 33.868 1.00 0.00 ATOM 765 NH1 ARG 94 38.147 33.724 33.568 1.00 0.00 ATOM 766 NH2 ARG 94 39.809 33.088 35.009 1.00 0.00 ATOM 767 O ARG 94 38.319 34.676 26.604 1.00 0.00 ATOM 768 C ARG 94 39.426 34.245 26.946 1.00 0.00 ATOM 769 N ARG 95 40.518 34.440 26.247 1.00 0.00 ATOM 770 CA ARG 95 40.516 35.224 24.996 1.00 0.00 ATOM 771 CB ARG 95 42.108 35.695 24.898 1.00 0.00 ATOM 772 CG ARG 95 42.422 36.756 23.846 1.00 0.00 ATOM 773 CD ARG 95 42.351 36.202 22.429 1.00 0.00 ATOM 774 NE ARG 95 42.458 37.253 21.418 1.00 0.00 ATOM 775 CZ ARG 95 41.558 38.215 21.240 1.00 0.00 ATOM 776 NH1 ARG 95 40.475 38.268 22.005 1.00 0.00 ATOM 777 NH2 ARG 95 41.741 39.129 20.297 1.00 0.00 ATOM 778 O ARG 95 39.299 35.299 22.929 1.00 0.00 ATOM 779 C ARG 95 39.729 34.597 23.844 1.00 0.00 ATOM 780 N GLU 96 39.552 33.306 23.863 1.00 0.00 ATOM 781 CA GLU 96 38.803 32.622 22.808 1.00 0.00 ATOM 782 CB GLU 96 38.917 31.136 23.185 1.00 0.00 ATOM 783 CG GLU 96 40.348 30.651 22.993 1.00 0.00 ATOM 784 CD GLU 96 40.562 29.194 23.328 1.00 0.00 ATOM 785 OE1 GLU 96 39.639 28.547 23.863 1.00 0.00 ATOM 786 OE2 GLU 96 41.682 28.713 23.049 1.00 0.00 ATOM 787 O GLU 96 36.732 32.949 21.655 1.00 0.00 ATOM 788 C GLU 96 37.363 33.058 22.709 1.00 0.00 ATOM 789 N GLY 97 36.786 33.492 23.835 1.00 0.00 ATOM 790 CA GLY 97 35.384 33.888 23.873 1.00 0.00 ATOM 791 O GLY 97 34.577 31.641 24.060 1.00 0.00 ATOM 792 C GLY 97 34.551 32.701 23.427 1.00 0.00 TER END