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 2 Wed Jul 26 13:16:43 2006 MODEL 2 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 4.726 28.181 18.307 1.00 0.00 ATOM 2 CA MET 1 3.944 28.010 19.530 1.00 0.00 ATOM 3 CB MET 1 2.467 27.818 19.190 1.00 0.00 ATOM 4 CG MET 1 1.799 29.037 18.571 1.00 0.00 ATOM 5 SD MET 1 0.081 28.731 18.113 1.00 0.00 ATOM 6 CE MET 1 -0.690 28.649 19.727 1.00 0.00 ATOM 7 O MET 1 5.337 26.101 19.788 1.00 0.00 ATOM 8 C MET 1 4.494 26.824 20.309 1.00 0.00 ATOM 9 N ALA 2 4.003 26.636 21.535 1.00 0.00 ATOM 10 CA ALA 2 4.468 25.545 22.413 1.00 0.00 ATOM 11 CB ALA 2 3.792 25.624 23.779 1.00 0.00 ATOM 12 O ALA 2 5.199 23.388 21.696 1.00 0.00 ATOM 13 C ALA 2 4.251 24.148 21.808 1.00 0.00 ATOM 14 N HIS 3 3.091 23.963 21.180 1.00 0.00 ATOM 15 CA HIS 3 2.752 22.687 20.503 1.00 0.00 ATOM 16 CB HIS 3 1.282 22.646 20.097 1.00 0.00 ATOM 17 CG HIS 3 0.357 22.509 21.311 1.00 0.00 ATOM 18 CD2 HIS 3 -0.563 23.351 21.758 1.00 0.00 ATOM 19 ND1 HIS 3 0.322 21.416 22.069 1.00 0.00 ATOM 20 CE1 HIS 3 -0.649 21.574 22.975 1.00 0.00 ATOM 21 NE2 HIS 3 -1.180 22.772 22.792 1.00 0.00 ATOM 22 O HIS 3 4.256 21.380 19.135 1.00 0.00 ATOM 23 C HIS 3 3.632 22.425 19.272 1.00 0.00 ATOM 24 N HIS 4 3.854 23.483 18.496 1.00 0.00 ATOM 25 CA HIS 4 4.716 23.421 17.307 1.00 0.00 ATOM 26 CB HIS 4 4.572 24.695 16.466 1.00 0.00 ATOM 27 CG HIS 4 3.256 24.804 15.762 1.00 0.00 ATOM 28 CD2 HIS 4 2.241 25.688 15.902 1.00 0.00 ATOM 29 ND1 HIS 4 2.867 23.926 14.772 1.00 0.00 ATOM 30 CE1 HIS 4 1.667 24.265 14.334 1.00 0.00 ATOM 31 NE2 HIS 4 1.265 25.331 15.003 1.00 0.00 ATOM 32 O HIS 4 6.838 22.326 17.066 1.00 0.00 ATOM 33 C HIS 4 6.200 23.215 17.628 1.00 0.00 ATOM 34 N HIS 5 6.651 23.959 18.628 1.00 0.00 ATOM 35 CA HIS 5 8.046 23.897 19.113 1.00 0.00 ATOM 36 CB HIS 5 8.308 24.998 20.146 1.00 0.00 ATOM 37 CG HIS 5 8.340 26.376 19.561 1.00 0.00 ATOM 38 CD2 HIS 5 8.429 26.799 18.279 1.00 0.00 ATOM 39 ND1 HIS 5 8.274 27.514 20.338 1.00 0.00 ATOM 40 CE1 HIS 5 8.323 28.579 19.556 1.00 0.00 ATOM 41 NE2 HIS 5 8.416 28.172 18.303 1.00 0.00 ATOM 42 O HIS 5 9.440 21.988 19.453 1.00 0.00 ATOM 43 C HIS 5 8.388 22.542 19.719 1.00 0.00 ATOM 44 N HIS 6 7.407 21.944 20.388 1.00 0.00 ATOM 45 CA HIS 6 7.588 20.609 20.996 1.00 0.00 ATOM 46 CB HIS 6 6.415 20.272 21.921 1.00 0.00 ATOM 47 CG HIS 6 6.384 21.088 23.175 1.00 0.00 ATOM 48 CD2 HIS 6 7.322 21.877 23.749 1.00 0.00 ATOM 49 ND1 HIS 6 5.276 21.150 23.995 1.00 0.00 ATOM 50 CE1 HIS 6 5.536 21.942 25.021 1.00 0.00 ATOM 51 NE2 HIS 6 6.770 22.396 24.894 1.00 0.00 ATOM 52 O HIS 6 8.589 18.626 20.073 1.00 0.00 ATOM 53 C HIS 6 7.738 19.506 19.949 1.00 0.00 ATOM 54 N HIS 7 6.880 19.564 18.936 1.00 0.00 ATOM 55 CA HIS 7 6.935 18.630 17.802 1.00 0.00 ATOM 56 CB HIS 7 5.779 18.889 16.830 1.00 0.00 ATOM 57 CG HIS 7 4.438 18.502 17.374 1.00 0.00 ATOM 58 CD2 HIS 7 4.094 17.756 18.449 1.00 0.00 ATOM 59 ND1 HIS 7 3.255 18.900 16.787 1.00 0.00 ATOM 60 CE1 HIS 7 2.240 18.413 17.479 1.00 0.00 ATOM 61 NE2 HIS 7 2.721 17.717 18.492 1.00 0.00 ATOM 62 O HIS 7 8.920 17.700 16.777 1.00 0.00 ATOM 63 C HIS 7 8.272 18.717 17.043 1.00 0.00 ATOM 64 N HIS 8 8.718 19.954 16.847 1.00 0.00 ATOM 65 CA HIS 8 10.032 20.229 16.217 1.00 0.00 ATOM 66 CB HIS 8 10.230 21.734 16.010 1.00 0.00 ATOM 67 CG HIS 8 9.348 22.316 14.948 1.00 0.00 ATOM 68 CD2 HIS 8 8.606 21.725 13.983 1.00 0.00 ATOM 69 ND1 HIS 8 9.159 23.674 14.802 1.00 0.00 ATOM 70 CE1 HIS 8 8.337 23.893 13.790 1.00 0.00 ATOM 71 NE2 HIS 8 7.987 22.728 13.278 1.00 0.00 ATOM 72 O HIS 8 12.005 18.944 16.477 1.00 0.00 ATOM 73 C HIS 8 11.187 19.668 17.045 1.00 0.00 ATOM 74 N SER 9 11.079 19.802 18.360 1.00 0.00 ATOM 75 CA SER 9 12.095 19.321 19.304 1.00 0.00 ATOM 76 CB SER 9 11.769 19.733 20.736 1.00 0.00 ATOM 77 OG SER 9 11.810 21.157 20.802 1.00 0.00 ATOM 78 O SER 9 13.345 17.277 19.270 1.00 0.00 ATOM 79 C SER 9 12.242 17.801 19.292 1.00 0.00 ATOM 80 N LEU 10 11.099 17.118 19.270 1.00 0.00 ATOM 81 CA LEU 10 11.087 15.645 19.269 1.00 0.00 ATOM 82 CB LEU 10 9.665 15.191 19.467 1.00 0.00 ATOM 83 CG LEU 10 9.065 15.428 20.833 1.00 0.00 ATOM 84 CD1 LEU 10 7.596 15.065 20.671 1.00 0.00 ATOM 85 CD2 LEU 10 9.698 14.509 21.878 1.00 0.00 ATOM 86 O LEU 10 12.706 14.425 18.046 1.00 0.00 ATOM 87 C LEU 10 11.659 15.056 17.981 1.00 0.00 ATOM 88 N ASN 11 11.225 15.611 16.850 1.00 0.00 ATOM 89 CA ASN 11 11.760 15.181 15.546 1.00 0.00 ATOM 90 CB ASN 11 10.979 15.791 14.397 1.00 0.00 ATOM 91 CG ASN 11 9.611 15.196 14.210 1.00 0.00 ATOM 92 ND2 ASN 11 8.786 15.895 13.473 1.00 0.00 ATOM 93 OD1 ASN 11 9.329 14.082 14.667 1.00 0.00 ATOM 94 O ASN 11 13.996 14.729 14.803 1.00 0.00 ATOM 95 C ASN 11 13.252 15.510 15.381 1.00 0.00 ATOM 96 N GLN 12 13.602 16.714 15.827 1.00 0.00 ATOM 97 CA GLN 12 14.956 17.267 15.714 1.00 0.00 ATOM 98 CB GLN 12 15.066 18.170 14.483 1.00 0.00 ATOM 99 CG GLN 12 14.824 17.456 13.164 1.00 0.00 ATOM 100 CD GLN 12 15.965 16.531 12.788 1.00 0.00 ATOM 101 OE1 GLN 12 17.137 16.849 13.003 1.00 0.00 ATOM 102 NE2 GLN 12 15.629 15.378 12.219 1.00 0.00 ATOM 103 O GLN 12 14.560 18.864 17.479 1.00 0.00 ATOM 104 C GLN 12 15.339 18.056 16.966 1.00 0.00 ATOM 105 N ILE 13 16.627 18.020 17.235 1.00 0.00 ATOM 106 CA ILE 13 17.247 18.733 18.374 1.00 0.00 ATOM 107 CB ILE 13 17.978 17.748 19.300 1.00 0.00 ATOM 108 CG1 ILE 13 16.998 16.740 19.888 1.00 0.00 ATOM 109 CG2 ILE 13 18.737 18.479 20.429 1.00 0.00 ATOM 110 CD1 ILE 13 17.664 15.449 20.345 1.00 0.00 ATOM 111 O ILE 13 19.205 19.435 17.144 1.00 0.00 ATOM 112 C ILE 13 18.229 19.751 17.814 1.00 0.00 ATOM 113 N ASN 14 17.871 21.010 18.027 1.00 0.00 ATOM 114 CA ASN 14 18.778 22.093 17.665 1.00 0.00 ATOM 115 CB ASN 14 18.024 23.282 17.098 1.00 0.00 ATOM 116 CG ASN 14 17.337 22.996 15.791 1.00 0.00 ATOM 117 ND2 ASN 14 16.043 23.189 15.780 1.00 0.00 ATOM 118 OD1 ASN 14 17.982 22.676 14.786 1.00 0.00 ATOM 119 O ASN 14 19.124 22.599 19.996 1.00 0.00 ATOM 120 C ASN 14 19.613 22.508 18.877 1.00 0.00 ATOM 121 N ILE 15 20.906 22.648 18.618 1.00 0.00 ATOM 122 CA ILE 15 21.885 23.058 19.628 1.00 0.00 ATOM 123 CB ILE 15 22.829 21.901 20.002 1.00 0.00 ATOM 124 CG1 ILE 15 23.460 21.299 18.743 1.00 0.00 ATOM 125 CG2 ILE 15 22.081 20.836 20.788 1.00 0.00 ATOM 126 CD1 ILE 15 24.537 20.277 19.029 1.00 0.00 ATOM 127 O ILE 15 23.110 24.286 17.955 1.00 0.00 ATOM 128 C ILE 15 22.705 24.246 19.124 1.00 0.00 ATOM 129 N GLU 16 23.047 25.112 20.048 1.00 0.00 ATOM 130 CA GLU 16 23.875 26.286 19.740 1.00 0.00 ATOM 131 CB GLU 16 23.321 27.530 20.440 1.00 0.00 ATOM 132 CG GLU 16 24.100 28.807 20.160 1.00 0.00 ATOM 133 CD GLU 16 23.446 29.997 20.806 1.00 0.00 ATOM 134 OE1 GLU 16 22.442 29.822 21.453 1.00 0.00 ATOM 135 OE2 GLU 16 24.011 31.064 20.748 1.00 0.00 ATOM 136 O GLU 16 25.669 25.902 21.344 1.00 0.00 ATOM 137 C GLU 16 25.318 26.021 20.161 1.00 0.00 ATOM 138 N ILE 17 26.144 25.894 19.141 1.00 0.00 ATOM 139 CA ILE 17 27.574 25.629 19.346 1.00 0.00 ATOM 140 CB ILE 17 28.136 24.695 18.259 1.00 0.00 ATOM 141 CG1 ILE 17 27.514 23.301 18.380 1.00 0.00 ATOM 142 CG2 ILE 17 29.652 24.615 18.359 1.00 0.00 ATOM 143 CD1 ILE 17 26.107 23.211 17.834 1.00 0.00 ATOM 144 O ILE 17 28.312 27.666 18.335 1.00 0.00 ATOM 145 C ILE 17 28.313 26.957 19.344 1.00 0.00 ATOM 146 N ALA 18 29.065 27.139 20.419 1.00 0.00 ATOM 147 CA ALA 18 29.950 28.292 20.621 1.00 0.00 ATOM 148 CB ALA 18 29.575 28.997 21.916 1.00 0.00 ATOM 149 O ALA 18 31.841 27.013 21.451 1.00 0.00 ATOM 150 C ALA 18 31.426 27.849 20.642 1.00 0.00 ATOM 151 N TYR 19 32.115 28.206 19.560 1.00 0.00 ATOM 152 CA TYR 19 33.561 27.991 19.418 1.00 0.00 ATOM 153 CB TYR 19 33.947 27.911 17.927 1.00 0.00 ATOM 154 CG TYR 19 33.402 26.656 17.254 1.00 0.00 ATOM 155 CD1 TYR 19 32.180 26.700 16.600 1.00 0.00 ATOM 156 CD2 TYR 19 34.113 25.463 17.290 1.00 0.00 ATOM 157 CE1 TYR 19 31.683 25.561 15.980 1.00 0.00 ATOM 158 CE2 TYR 19 33.620 24.327 16.662 1.00 0.00 ATOM 159 CZ TYR 19 32.402 24.374 15.999 1.00 0.00 ATOM 160 OH TYR 19 31.875 23.257 15.409 1.00 0.00 ATOM 161 O TYR 19 34.398 30.232 19.625 1.00 0.00 ATOM 162 C TYR 19 34.367 29.108 20.105 1.00 0.00 ATOM 163 N ALA 20 35.143 28.710 21.118 1.00 0.00 ATOM 164 CA ALA 20 36.036 29.644 21.849 1.00 0.00 ATOM 165 CB ALA 20 35.968 29.300 23.334 1.00 0.00 ATOM 166 O ALA 20 38.344 30.468 21.738 1.00 0.00 ATOM 167 C ALA 20 37.494 29.681 21.338 1.00 0.00 ATOM 168 N PHE 21 37.812 28.707 20.489 1.00 0.00 ATOM 169 CA PHE 21 39.135 28.506 19.862 1.00 0.00 ATOM 170 CB PHE 21 39.135 27.396 18.801 1.00 0.00 ATOM 171 CG PHE 21 40.532 27.118 18.251 1.00 0.00 ATOM 172 CD1 PHE 21 41.427 26.384 19.009 1.00 0.00 ATOM 173 CD2 PHE 21 40.878 27.604 16.996 1.00 0.00 ATOM 174 CE1 PHE 21 42.708 26.150 18.525 1.00 0.00 ATOM 175 CE2 PHE 21 42.149 27.354 16.502 1.00 0.00 ATOM 176 CZ PHE 21 43.047 26.658 17.299 1.00 0.00 ATOM 177 O PHE 21 38.685 30.282 18.392 1.00 0.00 ATOM 178 C PHE 21 39.504 29.820 19.180 1.00 0.00 ATOM 179 N PRO 22 40.740 30.290 19.377 1.00 0.00 ATOM 180 CA PRO 22 41.197 31.599 18.887 1.00 0.00 ATOM 181 CB PRO 22 42.658 31.544 19.265 1.00 0.00 ATOM 182 CG PRO 22 42.769 30.704 20.535 1.00 0.00 ATOM 183 CD PRO 22 41.762 29.617 20.207 1.00 0.00 ATOM 184 O PRO 22 40.902 33.032 16.956 1.00 0.00 ATOM 185 C PRO 22 40.956 31.885 17.375 1.00 0.00 ATOM 186 N GLU 23 40.812 30.840 16.549 1.00 0.00 ATOM 187 CA GLU 23 40.454 30.955 15.104 1.00 0.00 ATOM 188 CB GLU 23 41.420 30.136 14.246 1.00 0.00 ATOM 189 CG GLU 23 42.853 30.648 14.250 1.00 0.00 ATOM 190 CD GLU 23 43.736 29.810 13.367 1.00 0.00 ATOM 191 OE1 GLU 23 43.247 28.864 12.797 1.00 0.00 ATOM 192 OE2 GLU 23 44.870 30.177 13.175 1.00 0.00 ATOM 193 O GLU 23 38.668 29.384 14.883 1.00 0.00 ATOM 194 C GLU 23 39.025 30.535 14.671 1.00 0.00 ATOM 195 N ARG 24 38.325 31.365 13.889 1.00 0.00 ATOM 196 CA ARG 24 37.115 31.097 13.067 1.00 0.00 ATOM 197 CB ARG 24 37.396 30.127 11.930 1.00 0.00 ATOM 198 CG ARG 24 38.328 30.657 10.852 1.00 0.00 ATOM 199 CD ARG 24 38.605 29.696 9.754 1.00 0.00 ATOM 200 NE ARG 24 39.493 30.201 8.719 1.00 0.00 ATOM 201 CZ ARG 24 39.926 29.484 7.665 1.00 0.00 ATOM 202 NH1 ARG 24 39.589 28.221 7.520 1.00 0.00 ATOM 203 NH2 ARG 24 40.721 30.076 6.790 1.00 0.00 ATOM 204 O ARG 24 35.538 29.548 14.048 1.00 0.00 ATOM 205 C ARG 24 35.736 30.613 13.473 1.00 0.00 ATOM 206 N TYR 25 34.792 31.326 12.858 1.00 0.00 ATOM 207 CA TYR 25 33.355 31.031 12.957 1.00 0.00 ATOM 208 CB TYR 25 32.998 29.733 12.229 1.00 0.00 ATOM 209 CG TYR 25 33.096 29.932 10.728 1.00 0.00 ATOM 210 CD1 TYR 25 32.039 30.566 10.136 1.00 0.00 ATOM 211 CD2 TYR 25 34.231 29.622 10.019 1.00 0.00 ATOM 212 CE1 TYR 25 32.081 30.944 8.815 1.00 0.00 ATOM 213 CE2 TYR 25 34.291 29.996 8.681 1.00 0.00 ATOM 214 CZ TYR 25 33.217 30.653 8.114 1.00 0.00 ATOM 215 OH TYR 25 33.243 31.081 6.861 1.00 0.00 ATOM 216 O TYR 25 33.068 29.818 15.009 1.00 0.00 ATOM 217 C TYR 25 32.952 30.892 14.429 1.00 0.00 ATOM 218 N TYR 26 32.459 31.973 15.003 1.00 0.00 ATOM 219 CA TYR 26 32.299 32.040 16.467 1.00 0.00 ATOM 220 CB TYR 26 31.885 33.449 16.897 1.00 0.00 ATOM 221 CG TYR 26 33.006 34.463 16.833 1.00 0.00 ATOM 222 CD1 TYR 26 33.062 35.401 15.813 1.00 0.00 ATOM 223 CD2 TYR 26 34.005 34.481 17.797 1.00 0.00 ATOM 224 CE1 TYR 26 34.083 36.329 15.750 1.00 0.00 ATOM 225 CE2 TYR 26 35.031 35.404 17.744 1.00 0.00 ATOM 226 CZ TYR 26 35.066 36.327 16.718 1.00 0.00 ATOM 227 OH TYR 26 36.086 37.250 16.662 1.00 0.00 ATOM 228 O TYR 26 31.514 30.437 18.105 1.00 0.00 ATOM 229 C TYR 26 31.285 31.051 17.069 1.00 0.00 ATOM 230 N LEU 27 30.175 30.913 16.366 1.00 0.00 ATOM 231 CA LEU 27 29.055 30.057 16.780 1.00 0.00 ATOM 232 CB LEU 27 28.203 30.833 17.795 1.00 0.00 ATOM 233 CG LEU 27 27.646 32.130 17.229 1.00 0.00 ATOM 234 CD1 LEU 27 26.338 31.840 16.504 1.00 0.00 ATOM 235 CD2 LEU 27 27.435 33.158 18.336 1.00 0.00 ATOM 236 O LEU 27 28.040 30.286 14.590 1.00 0.00 ATOM 237 C LEU 27 28.224 29.593 15.587 1.00 0.00 ATOM 238 N LYS 28 27.600 28.433 15.775 1.00 0.00 ATOM 239 CA LYS 28 26.697 27.876 14.770 1.00 0.00 ATOM 240 CB LYS 28 27.479 27.056 13.744 1.00 0.00 ATOM 241 CG LYS 28 28.424 27.874 12.872 1.00 0.00 ATOM 242 CD LYS 28 29.127 26.998 11.846 1.00 0.00 ATOM 243 CE LYS 28 30.021 27.823 10.933 1.00 0.00 ATOM 244 NZ LYS 28 30.718 26.979 9.924 1.00 0.00 ATOM 245 O LYS 28 25.871 26.295 16.385 1.00 0.00 ATOM 246 C LYS 28 25.623 27.019 15.427 1.00 0.00 ATOM 247 N SER 29 24.473 27.055 14.781 1.00 0.00 ATOM 248 CA SER 29 23.361 26.188 15.195 1.00 0.00 ATOM 249 CB SER 29 22.046 26.935 15.080 1.00 0.00 ATOM 250 OG SER 29 20.948 26.113 15.368 1.00 0.00 ATOM 251 O SER 29 23.422 24.942 13.133 1.00 0.00 ATOM 252 C SER 29 23.340 24.926 14.359 1.00 0.00 ATOM 253 N PHE 30 23.368 23.837 15.125 1.00 0.00 ATOM 254 CA PHE 30 23.356 22.484 14.574 1.00 0.00 ATOM 255 CB PHE 30 24.547 21.667 15.092 1.00 0.00 ATOM 256 CG PHE 30 25.899 22.193 14.584 1.00 0.00 ATOM 257 CD1 PHE 30 25.981 23.073 13.513 1.00 0.00 ATOM 258 CD2 PHE 30 27.056 21.743 15.186 1.00 0.00 ATOM 259 CE1 PHE 30 27.209 23.521 13.081 1.00 0.00 ATOM 260 CE2 PHE 30 28.295 22.198 14.761 1.00 0.00 ATOM 261 CZ PHE 30 28.348 23.110 13.724 1.00 0.00 ATOM 262 O PHE 30 21.552 21.757 15.984 1.00 0.00 ATOM 263 C PHE 30 22.053 21.773 14.863 1.00 0.00 ATOM 264 N GLN 31 21.454 21.352 13.772 1.00 0.00 ATOM 265 CA GLN 31 20.223 20.547 13.826 1.00 0.00 ATOM 266 CB GLN 31 19.238 21.000 12.746 1.00 0.00 ATOM 267 CG GLN 31 17.908 20.266 12.768 1.00 0.00 ATOM 268 CD GLN 31 16.968 20.737 11.676 1.00 0.00 ATOM 269 OE1 GLN 31 17.238 20.559 10.485 1.00 0.00 ATOM 270 NE2 GLN 31 15.858 21.349 12.074 1.00 0.00 ATOM 271 O GLN 31 21.351 18.716 12.775 1.00 0.00 ATOM 272 C GLN 31 20.563 19.069 13.652 1.00 0.00 ATOM 273 N VAL 32 20.286 18.368 14.732 1.00 0.00 ATOM 274 CA VAL 32 20.589 16.932 14.894 1.00 0.00 ATOM 275 CB VAL 32 21.437 16.652 16.147 1.00 0.00 ATOM 276 CG1 VAL 32 22.765 17.398 16.093 1.00 0.00 ATOM 277 CG2 VAL 32 20.766 16.931 17.495 1.00 0.00 ATOM 278 O VAL 32 18.300 16.594 15.518 1.00 0.00 ATOM 279 C VAL 32 19.286 16.134 14.940 1.00 0.00 ATOM 280 N ASP 33 19.393 14.889 14.509 1.00 0.00 ATOM 281 CA ASP 33 18.273 13.945 14.599 1.00 0.00 ATOM 282 CB ASP 33 18.623 12.648 13.856 1.00 0.00 ATOM 283 CG ASP 33 18.626 12.835 12.341 1.00 0.00 ATOM 284 OD1 ASP 33 18.072 13.856 11.872 1.00 0.00 ATOM 285 OD2 ASP 33 19.144 11.926 11.656 1.00 0.00 ATOM 286 O ASP 33 18.605 13.993 17.000 1.00 0.00 ATOM 287 C ASP 33 17.879 13.670 16.060 1.00 0.00 ATOM 288 N GLU 34 16.629 13.260 16.205 1.00 0.00 ATOM 289 CA GLU 34 16.069 12.760 17.470 1.00 0.00 ATOM 290 CB GLU 34 14.693 12.166 17.172 1.00 0.00 ATOM 291 CG GLU 34 14.010 11.714 18.467 1.00 0.00 ATOM 292 CD GLU 34 12.677 10.984 18.291 1.00 0.00 ATOM 293 OE1 GLU 34 12.150 10.940 17.163 1.00 0.00 ATOM 294 OE2 GLU 34 12.269 10.369 19.305 1.00 0.00 ATOM 295 O GLU 34 17.247 10.669 17.372 1.00 0.00 ATOM 296 C GLU 34 16.955 11.655 18.052 1.00 0.00 ATOM 297 N GLY 35 17.276 11.834 19.330 1.00 0.00 ATOM 298 CA GLY 35 18.107 10.890 20.110 1.00 0.00 ATOM 299 O GLY 35 20.374 10.041 19.772 1.00 0.00 ATOM 300 C GLY 35 19.594 11.003 19.758 1.00 0.00 ATOM 301 N ILE 36 20.013 12.253 19.612 1.00 0.00 ATOM 302 CA ILE 36 21.452 12.506 19.429 1.00 0.00 ATOM 303 CB ILE 36 21.791 13.398 18.239 1.00 0.00 ATOM 304 CG1 ILE 36 21.939 12.366 17.124 1.00 0.00 ATOM 305 CG2 ILE 36 23.050 14.277 18.377 1.00 0.00 ATOM 306 CD1 ILE 36 21.609 12.948 15.773 1.00 0.00 ATOM 307 O ILE 36 21.615 13.237 21.733 1.00 0.00 ATOM 308 C ILE 36 22.159 12.759 20.742 1.00 0.00 ATOM 309 N THR 37 23.339 12.178 20.689 1.00 0.00 ATOM 310 CA THR 37 24.303 12.183 21.775 1.00 0.00 ATOM 311 CB THR 37 24.943 10.801 21.918 1.00 0.00 ATOM 312 CG2 THR 37 23.886 9.762 22.295 1.00 0.00 ATOM 313 OG1 THR 37 25.661 10.449 20.717 1.00 0.00 ATOM 314 O THR 37 25.571 13.657 20.318 1.00 0.00 ATOM 315 C THR 37 25.389 13.199 21.450 1.00 0.00 ATOM 316 N VAL 38 26.267 13.318 22.422 1.00 0.00 ATOM 317 CA VAL 38 27.458 14.164 22.270 1.00 0.00 ATOM 318 CB VAL 38 28.127 14.146 23.617 1.00 0.00 ATOM 319 CG1 VAL 38 29.507 14.746 23.546 1.00 0.00 ATOM 320 CG2 VAL 38 27.252 14.977 24.524 1.00 0.00 ATOM 321 O VAL 38 28.938 14.474 20.379 1.00 0.00 ATOM 322 C VAL 38 28.392 13.684 21.148 1.00 0.00 ATOM 323 N GLN 39 28.580 12.374 21.115 1.00 0.00 ATOM 324 CA GLN 39 29.465 11.721 20.138 1.00 0.00 ATOM 325 CB GLN 39 29.502 10.209 20.376 1.00 0.00 ATOM 326 CG GLN 39 30.447 9.457 19.454 1.00 0.00 ATOM 327 CD GLN 39 30.506 7.975 19.770 1.00 0.00 ATOM 328 OE1 GLN 39 29.799 7.486 20.655 1.00 0.00 ATOM 329 NE2 GLN 39 31.356 7.251 19.050 1.00 0.00 ATOM 330 O GLN 39 29.819 12.389 17.847 1.00 0.00 ATOM 331 C GLN 39 29.009 12.011 18.701 1.00 0.00 ATOM 332 N THR 40 27.695 12.053 18.527 1.00 0.00 ATOM 333 CA THR 40 27.098 12.411 17.234 1.00 0.00 ATOM 334 CB THR 40 25.592 12.189 17.211 1.00 0.00 ATOM 335 CG2 THR 40 25.045 12.479 15.812 1.00 0.00 ATOM 336 OG1 THR 40 25.253 10.845 17.581 1.00 0.00 ATOM 337 O THR 40 27.700 14.211 15.723 1.00 0.00 ATOM 338 C THR 40 27.406 13.873 16.869 1.00 0.00 ATOM 339 N ALA 41 27.258 14.745 17.844 1.00 0.00 ATOM 340 CA ALA 41 27.550 16.175 17.669 1.00 0.00 ATOM 341 CB ALA 41 27.193 16.939 18.948 1.00 0.00 ATOM 342 O ALA 41 29.314 17.183 16.344 1.00 0.00 ATOM 343 C ALA 41 29.017 16.433 17.280 1.00 0.00 ATOM 344 N ILE 42 29.906 15.660 17.892 1.00 0.00 ATOM 345 CA ILE 42 31.350 15.711 17.591 1.00 0.00 ATOM 346 CB ILE 42 32.158 14.805 18.537 1.00 0.00 ATOM 347 CG1 ILE 42 32.114 15.350 19.967 1.00 0.00 ATOM 348 CG2 ILE 42 33.595 14.678 18.056 1.00 0.00 ATOM 349 CD1 ILE 42 32.651 14.390 21.004 1.00 0.00 ATOM 350 O ILE 42 32.358 15.944 15.414 1.00 0.00 ATOM 351 C ILE 42 31.598 15.293 16.132 1.00 0.00 ATOM 352 N THR 43 30.928 14.217 15.734 1.00 0.00 ATOM 353 CA THR 43 31.070 13.699 14.351 1.00 0.00 ATOM 354 CB THR 43 30.307 12.374 14.163 1.00 0.00 ATOM 355 CG2 THR 43 30.424 11.891 12.725 1.00 0.00 ATOM 356 OG1 THR 43 30.846 11.380 15.043 1.00 0.00 ATOM 357 O THR 43 31.294 15.005 12.397 1.00 0.00 ATOM 358 C THR 43 30.575 14.697 13.331 1.00 0.00 ATOM 359 N GLN 44 29.482 15.362 13.678 1.00 0.00 ATOM 360 CA GLN 44 28.904 16.438 12.857 1.00 0.00 ATOM 361 CB GLN 44 27.561 16.891 13.437 1.00 0.00 ATOM 362 CG GLN 44 26.460 15.848 13.349 1.00 0.00 ATOM 363 CD GLN 44 26.142 15.461 11.918 1.00 0.00 ATOM 364 OE1 GLN 44 26.015 16.320 11.041 1.00 0.00 ATOM 365 NE2 GLN 44 26.008 14.163 11.672 1.00 0.00 ATOM 366 O GLN 44 30.006 18.158 11.645 1.00 0.00 ATOM 367 C GLN 44 29.829 17.651 12.738 1.00 0.00 ATOM 368 N SER 45 30.511 18.001 13.831 1.00 0.00 ATOM 369 CA SER 45 31.485 19.117 13.816 1.00 0.00 ATOM 370 CB SER 45 31.975 19.390 15.243 1.00 0.00 ATOM 371 OG SER 45 32.880 20.497 15.286 1.00 0.00 ATOM 372 O SER 45 33.105 19.633 12.067 1.00 0.00 ATOM 373 C SER 45 32.659 18.803 12.868 1.00 0.00 ATOM 374 N GLY 46 33.063 17.526 12.914 1.00 0.00 ATOM 375 CA GLY 46 34.062 16.907 12.027 1.00 0.00 ATOM 376 O GLY 46 34.300 17.253 9.667 1.00 0.00 ATOM 377 C GLY 46 33.599 16.825 10.577 1.00 0.00 ATOM 378 N ILE 47 32.340 16.454 10.406 1.00 0.00 ATOM 379 CA ILE 47 31.679 16.361 9.092 1.00 0.00 ATOM 380 CB ILE 47 30.282 15.723 9.206 1.00 0.00 ATOM 381 CG1 ILE 47 30.399 14.250 9.603 1.00 0.00 ATOM 382 CG2 ILE 47 29.523 15.867 7.895 1.00 0.00 ATOM 383 CD1 ILE 47 29.083 13.616 9.993 1.00 0.00 ATOM 384 O ILE 47 31.538 17.868 7.226 1.00 0.00 ATOM 385 C ILE 47 31.555 17.751 8.450 1.00 0.00 ATOM 386 N LEU 48 31.253 18.737 9.265 1.00 0.00 ATOM 387 CA LEU 48 31.170 20.121 8.768 1.00 0.00 ATOM 388 CB LEU 48 30.274 20.944 9.697 1.00 0.00 ATOM 389 CG LEU 48 28.804 20.526 9.758 1.00 0.00 ATOM 390 CD1 LEU 48 28.154 21.430 10.775 1.00 0.00 ATOM 391 CD2 LEU 48 28.041 20.747 8.453 1.00 0.00 ATOM 392 O LEU 48 32.622 21.938 8.247 1.00 0.00 ATOM 393 C LEU 48 32.549 20.738 8.516 1.00 0.00 ATOM 394 N SER 49 33.605 19.988 8.855 1.00 0.00 ATOM 395 CA SER 49 35.035 20.261 8.570 1.00 0.00 ATOM 396 CB SER 49 35.256 21.098 7.316 1.00 0.00 ATOM 397 OG SER 49 34.811 20.457 6.135 1.00 0.00 ATOM 398 O SER 49 37.186 20.869 9.437 1.00 0.00 ATOM 399 C SER 49 35.978 20.857 9.631 1.00 0.00 ATOM 400 N GLN 50 35.442 21.224 10.795 1.00 0.00 ATOM 401 CA GLN 50 36.257 21.865 11.871 1.00 0.00 ATOM 402 CB GLN 50 35.391 22.809 12.710 1.00 0.00 ATOM 403 CG GLN 50 34.806 23.974 11.932 1.00 0.00 ATOM 404 CD GLN 50 35.878 24.859 11.323 1.00 0.00 ATOM 405 OE1 GLN 50 36.836 25.249 11.995 1.00 0.00 ATOM 406 NE2 GLN 50 35.719 25.184 10.045 1.00 0.00 ATOM 407 O GLN 50 38.127 20.898 13.086 1.00 0.00 ATOM 408 C GLN 50 36.925 20.858 12.807 1.00 0.00 ATOM 409 N PHE 51 36.113 19.909 13.251 1.00 0.00 ATOM 410 CA PHE 51 36.601 18.835 14.135 1.00 0.00 ATOM 411 CB PHE 51 35.407 18.188 14.848 1.00 0.00 ATOM 412 CG PHE 51 35.794 17.321 16.040 1.00 0.00 ATOM 413 CD1 PHE 51 35.946 17.923 17.278 1.00 0.00 ATOM 414 CD2 PHE 51 36.049 15.974 15.874 1.00 0.00 ATOM 415 CE1 PHE 51 36.371 17.174 18.357 1.00 0.00 ATOM 416 CE2 PHE 51 36.492 15.221 16.960 1.00 0.00 ATOM 417 CZ PHE 51 36.666 15.822 18.196 1.00 0.00 ATOM 418 O PHE 51 38.323 17.250 14.399 1.00 0.00 ATOM 419 C PHE 51 37.607 17.800 13.564 1.00 0.00 ATOM 420 N PRO 52 37.789 17.590 12.244 1.00 0.00 ATOM 421 CA PRO 52 38.749 16.600 11.703 1.00 0.00 ATOM 422 CB PRO 52 38.757 16.828 10.194 1.00 0.00 ATOM 423 CG PRO 52 37.342 17.265 9.931 1.00 0.00 ATOM 424 CD PRO 52 37.096 18.195 11.102 1.00 0.00 ATOM 425 O PRO 52 40.946 15.853 12.232 1.00 0.00 ATOM 426 C PRO 52 40.182 16.809 12.177 1.00 0.00 ATOM 427 N GLU 53 40.527 18.064 12.441 1.00 0.00 ATOM 428 CA GLU 53 41.922 18.351 12.833 1.00 0.00 ATOM 429 CB GLU 53 42.425 19.618 12.136 1.00 0.00 ATOM 430 CG GLU 53 42.538 19.499 10.622 1.00 0.00 ATOM 431 CD GLU 53 43.017 20.785 10.008 1.00 0.00 ATOM 432 OE1 GLU 53 43.295 21.704 10.740 1.00 0.00 ATOM 433 OE2 GLU 53 43.212 20.814 8.816 1.00 0.00 ATOM 434 O GLU 53 43.194 18.777 14.884 1.00 0.00 ATOM 435 C GLU 53 42.119 18.514 14.361 1.00 0.00 ATOM 436 N ILE 54 41.025 18.239 15.072 1.00 0.00 ATOM 437 CA ILE 54 41.016 18.091 16.540 1.00 0.00 ATOM 438 CB ILE 54 39.662 18.563 17.112 1.00 0.00 ATOM 439 CG1 ILE 54 39.472 20.060 16.863 1.00 0.00 ATOM 440 CG2 ILE 54 39.590 18.295 18.623 1.00 0.00 ATOM 441 CD1 ILE 54 38.066 20.609 17.135 1.00 0.00 ATOM 442 O ILE 54 40.510 15.738 16.519 1.00 0.00 ATOM 443 C ILE 54 41.277 16.622 16.903 1.00 0.00 ATOM 444 N ASP 55 42.107 16.507 17.929 1.00 0.00 ATOM 445 CA ASP 55 42.422 15.219 18.559 1.00 0.00 ATOM 446 CB ASP 55 43.936 15.073 18.696 1.00 0.00 ATOM 447 CG ASP 55 44.709 15.005 17.369 1.00 0.00 ATOM 448 OD1 ASP 55 44.165 14.698 16.311 1.00 0.00 ATOM 449 OD2 ASP 55 45.933 15.118 17.464 1.00 0.00 ATOM 450 O ASP 55 41.051 16.012 20.395 1.00 0.00 ATOM 451 C ASP 55 41.716 15.089 19.915 1.00 0.00 ATOM 452 N LEU 56 42.112 14.052 20.664 1.00 0.00 ATOM 453 CA LEU 56 41.525 13.736 21.983 1.00 0.00 ATOM 454 CB LEU 56 42.170 12.470 22.562 1.00 0.00 ATOM 455 CG LEU 56 41.812 11.166 21.839 1.00 0.00 ATOM 456 CD1 LEU 56 42.652 10.018 22.383 1.00 0.00 ATOM 457 CD2 LEU 56 40.327 10.879 22.014 1.00 0.00 ATOM 458 O LEU 56 40.728 15.248 23.691 1.00 0.00 ATOM 459 C LEU 56 41.665 14.883 22.985 1.00 0.00 ATOM 460 N SER 57 42.862 15.457 23.004 1.00 0.00 ATOM 461 CA SER 57 43.162 16.559 23.937 1.00 0.00 ATOM 462 CB SER 57 44.508 16.332 24.596 1.00 0.00 ATOM 463 OG SER 57 45.558 16.337 23.668 1.00 0.00 ATOM 464 O SER 57 43.235 18.927 23.981 1.00 0.00 ATOM 465 C SER 57 43.153 17.930 23.272 1.00 0.00 ATOM 466 N THR 58 42.840 18.007 21.998 1.00 0.00 ATOM 467 CA THR 58 42.799 19.300 21.290 1.00 0.00 ATOM 468 CB THR 58 42.894 19.139 19.772 1.00 0.00 ATOM 469 CG2 THR 58 42.884 20.474 19.035 1.00 0.00 ATOM 470 OG1 THR 58 44.088 18.426 19.479 1.00 0.00 ATOM 471 O THR 58 41.742 21.366 21.843 1.00 0.00 ATOM 472 C THR 58 41.609 20.157 21.708 1.00 0.00 ATOM 473 N ASN 59 40.477 19.489 21.918 1.00 0.00 ATOM 474 CA ASN 59 39.222 20.164 22.262 1.00 0.00 ATOM 475 CB ASN 59 38.407 20.247 20.987 1.00 0.00 ATOM 476 CG ASN 59 37.025 20.842 21.194 1.00 0.00 ATOM 477 ND2 ASN 59 36.043 19.987 21.231 1.00 0.00 ATOM 478 OD1 ASN 59 36.876 22.002 21.493 1.00 0.00 ATOM 479 O ASN 59 38.440 18.243 23.528 1.00 0.00 ATOM 480 C ASN 59 38.455 19.469 23.392 1.00 0.00 ATOM 481 N LYS 60 37.772 20.323 24.130 1.00 0.00 ATOM 482 CA LYS 60 36.802 19.937 25.162 1.00 0.00 ATOM 483 CB LYS 60 37.308 20.334 26.550 1.00 0.00 ATOM 484 CG LYS 60 38.642 19.709 26.934 1.00 0.00 ATOM 485 CD LYS 60 38.507 18.212 27.160 1.00 0.00 ATOM 486 CE LYS 60 39.821 17.599 27.624 1.00 0.00 ATOM 487 NZ LYS 60 39.722 16.123 27.783 1.00 0.00 ATOM 488 O LYS 60 35.392 21.569 24.106 1.00 0.00 ATOM 489 C LYS 60 35.462 20.594 24.853 1.00 0.00 ATOM 490 N ILE 61 34.420 19.949 25.347 1.00 0.00 ATOM 491 CA ILE 61 33.050 20.439 25.137 1.00 0.00 ATOM 492 CB ILE 61 32.294 19.585 24.103 1.00 0.00 ATOM 493 CG1 ILE 61 32.340 18.119 24.541 1.00 0.00 ATOM 494 CG2 ILE 61 32.843 19.863 22.694 1.00 0.00 ATOM 495 CD1 ILE 61 31.522 17.234 23.619 1.00 0.00 ATOM 496 O ILE 61 32.366 19.581 27.272 1.00 0.00 ATOM 497 C ILE 61 32.248 20.485 26.442 1.00 0.00 ATOM 498 N GLY 62 31.400 21.491 26.517 1.00 0.00 ATOM 499 CA GLY 62 30.450 21.656 27.621 1.00 0.00 ATOM 500 O GLY 62 28.796 22.629 26.196 1.00 0.00 ATOM 501 C GLY 62 29.029 21.822 27.093 1.00 0.00 ATOM 502 N ILE 63 28.101 21.167 27.789 1.00 0.00 ATOM 503 CA ILE 63 26.647 21.298 27.547 1.00 0.00 ATOM 504 CB ILE 63 25.928 19.942 27.372 1.00 0.00 ATOM 505 CG1 ILE 63 24.526 20.132 26.780 1.00 0.00 ATOM 506 CG2 ILE 63 25.764 19.202 28.700 1.00 0.00 ATOM 507 CD1 ILE 63 23.916 18.844 26.227 1.00 0.00 ATOM 508 O ILE 63 26.100 21.793 29.860 1.00 0.00 ATOM 509 C ILE 63 26.028 22.137 28.671 1.00 0.00 ATOM 510 N PHE 64 25.626 23.329 28.267 1.00 0.00 ATOM 511 CA PHE 64 25.240 24.464 29.098 1.00 0.00 ATOM 512 CB PHE 64 23.717 24.540 29.225 1.00 0.00 ATOM 513 CG PHE 64 23.233 25.738 29.991 1.00 0.00 ATOM 514 CD1 PHE 64 23.207 26.993 29.401 1.00 0.00 ATOM 515 CD2 PHE 64 22.801 25.612 31.303 1.00 0.00 ATOM 516 CE1 PHE 64 22.761 28.095 30.105 1.00 0.00 ATOM 517 CE2 PHE 64 22.353 26.712 32.008 1.00 0.00 ATOM 518 CZ PHE 64 22.333 27.955 31.409 1.00 0.00 ATOM 519 O PHE 64 25.258 24.252 31.546 1.00 0.00 ATOM 520 C PHE 64 25.839 24.437 30.478 1.00 0.00 ATOM 521 N SER 65 27.110 24.668 30.184 1.00 0.00 ATOM 522 CA SER 65 28.227 24.979 31.071 1.00 0.00 ATOM 523 CB SER 65 27.859 26.128 31.990 1.00 0.00 ATOM 524 OG SER 65 27.548 27.294 31.277 1.00 0.00 ATOM 525 O SER 65 29.451 23.888 32.856 1.00 0.00 ATOM 526 C SER 65 28.677 23.760 31.919 1.00 0.00 ATOM 527 N ARG 66 28.378 22.550 31.425 1.00 0.00 ATOM 528 CA ARG 66 28.739 21.272 32.080 1.00 0.00 ATOM 529 CB ARG 66 27.510 20.423 32.411 1.00 0.00 ATOM 530 CG ARG 66 26.634 21.135 33.426 1.00 0.00 ATOM 531 CD ARG 66 25.448 20.327 33.920 1.00 0.00 ATOM 532 NE ARG 66 24.453 20.262 32.855 1.00 0.00 ATOM 533 CZ ARG 66 23.398 19.466 32.914 1.00 0.00 ATOM 534 NH1 ARG 66 23.089 18.706 33.957 1.00 0.00 ATOM 535 NH2 ARG 66 22.633 19.390 31.872 1.00 0.00 ATOM 536 O ARG 66 29.285 20.069 30.088 1.00 0.00 ATOM 537 C ARG 66 29.633 20.340 31.238 1.00 0.00 ATOM 538 N PRO 67 30.630 19.704 31.871 1.00 0.00 ATOM 539 CA PRO 67 31.325 18.546 31.272 1.00 0.00 ATOM 540 CB PRO 67 32.586 18.362 32.114 1.00 0.00 ATOM 541 CG PRO 67 32.152 18.878 33.486 1.00 0.00 ATOM 542 CD PRO 67 31.230 20.053 33.169 1.00 0.00 ATOM 543 O PRO 67 29.724 17.139 32.387 1.00 0.00 ATOM 544 C PRO 67 30.404 17.337 31.382 1.00 0.00 ATOM 545 N ILE 68 30.284 16.625 30.282 1.00 0.00 ATOM 546 CA ILE 68 29.377 15.463 30.160 1.00 0.00 ATOM 547 CB ILE 68 28.070 15.869 29.470 1.00 0.00 ATOM 548 CG1 ILE 68 28.339 16.556 28.126 1.00 0.00 ATOM 549 CG2 ILE 68 27.239 16.733 30.422 1.00 0.00 ATOM 550 CD1 ILE 68 27.117 16.618 27.233 1.00 0.00 ATOM 551 O ILE 68 31.119 14.382 28.894 1.00 0.00 ATOM 552 C ILE 68 30.019 14.273 29.430 1.00 0.00 ATOM 553 N LYS 69 29.327 13.143 29.444 1.00 0.00 ATOM 554 CA LYS 69 29.714 11.980 28.627 1.00 0.00 ATOM 555 CB LYS 69 29.050 10.708 29.158 1.00 0.00 ATOM 556 CG LYS 69 29.547 10.264 30.527 1.00 0.00 ATOM 557 CD LYS 69 28.842 8.996 30.987 1.00 0.00 ATOM 558 CE LYS 69 29.358 8.536 32.343 1.00 0.00 ATOM 559 NZ LYS 69 28.670 7.303 32.811 1.00 0.00 ATOM 560 O LYS 69 28.357 12.783 26.802 1.00 0.00 ATOM 561 C LYS 69 29.355 12.166 27.139 1.00 0.00 ATOM 562 N LEU 70 30.092 11.453 26.281 1.00 0.00 ATOM 563 CA LEU 70 29.814 11.433 24.813 1.00 0.00 ATOM 564 CB LEU 70 30.901 10.639 24.078 1.00 0.00 ATOM 565 CG LEU 70 32.059 11.479 23.523 1.00 0.00 ATOM 566 CD1 LEU 70 32.491 12.515 24.551 1.00 0.00 ATOM 567 CD2 LEU 70 33.220 10.565 23.157 1.00 0.00 ATOM 568 O LEU 70 27.921 11.035 23.376 1.00 0.00 ATOM 569 C LEU 70 28.435 10.845 24.470 1.00 0.00 ATOM 570 N THR 71 27.922 10.009 25.353 1.00 0.00 ATOM 571 CA THR 71 26.584 9.398 25.172 1.00 0.00 ATOM 572 CB THR 71 26.509 8.000 25.812 1.00 0.00 ATOM 573 CG2 THR 71 27.535 7.069 25.183 1.00 0.00 ATOM 574 OG1 THR 71 26.762 8.102 27.219 1.00 0.00 ATOM 575 O THR 71 24.279 9.826 25.687 1.00 0.00 ATOM 576 C THR 71 25.434 10.242 25.756 1.00 0.00 ATOM 577 N ASP 72 25.776 11.404 26.311 1.00 0.00 ATOM 578 CA ASP 72 24.780 12.348 26.864 1.00 0.00 ATOM 579 CB ASP 72 25.443 13.525 27.611 1.00 0.00 ATOM 580 CG ASP 72 24.462 14.380 28.442 1.00 0.00 ATOM 581 OD1 ASP 72 23.497 14.916 27.869 1.00 0.00 ATOM 582 OD2 ASP 72 24.596 14.389 29.686 1.00 0.00 ATOM 583 O ASP 72 24.313 13.239 24.664 1.00 0.00 ATOM 584 C ASP 72 23.863 12.878 25.752 1.00 0.00 ATOM 585 N VAL 73 22.596 12.545 25.952 1.00 0.00 ATOM 586 CA VAL 73 21.495 12.950 25.045 1.00 0.00 ATOM 587 CB VAL 73 20.164 12.271 25.448 1.00 0.00 ATOM 588 CG1 VAL 73 18.985 12.715 24.565 1.00 0.00 ATOM 589 CG2 VAL 73 20.269 10.746 25.344 1.00 0.00 ATOM 590 O VAL 73 20.925 15.068 26.057 1.00 0.00 ATOM 591 C VAL 73 21.344 14.485 25.049 1.00 0.00 ATOM 592 N LEU 74 21.365 14.998 23.826 1.00 0.00 ATOM 593 CA LEU 74 21.126 16.421 23.550 1.00 0.00 ATOM 594 CB LEU 74 21.746 16.834 22.200 1.00 0.00 ATOM 595 CG LEU 74 23.234 16.490 22.077 1.00 0.00 ATOM 596 CD1 LEU 74 23.808 17.045 20.780 1.00 0.00 ATOM 597 CD2 LEU 74 24.027 17.033 23.269 1.00 0.00 ATOM 598 O LEU 74 18.783 15.904 23.244 1.00 0.00 ATOM 599 C LEU 74 19.625 16.747 23.556 1.00 0.00 ATOM 600 N LYS 75 19.334 17.922 24.084 1.00 0.00 ATOM 601 CA LYS 75 17.974 18.481 24.161 1.00 0.00 ATOM 602 CB LYS 75 17.584 18.743 25.617 1.00 0.00 ATOM 603 CG LYS 75 17.458 17.488 26.470 1.00 0.00 ATOM 604 CD LYS 75 17.028 17.825 27.889 1.00 0.00 ATOM 605 CE LYS 75 16.885 16.571 28.739 1.00 0.00 ATOM 606 NZ LYS 75 16.444 16.884 30.125 1.00 0.00 ATOM 607 O LYS 75 18.877 20.448 23.086 1.00 0.00 ATOM 608 C LYS 75 17.890 19.768 23.337 1.00 0.00 ATOM 609 N GLU 76 16.703 19.980 22.796 1.00 0.00 ATOM 610 CA GLU 76 16.442 21.185 21.986 1.00 0.00 ATOM 611 CB GLU 76 15.007 21.174 21.455 1.00 0.00 ATOM 612 CG GLU 76 14.749 22.152 20.319 1.00 0.00 ATOM 613 CD GLU 76 14.448 23.529 20.840 1.00 0.00 ATOM 614 OE1 GLU 76 14.192 23.657 22.013 1.00 0.00 ATOM 615 OE2 GLU 76 14.584 24.469 20.092 1.00 0.00 ATOM 616 O GLU 76 16.372 22.540 23.991 1.00 0.00 ATOM 617 C GLU 76 16.695 22.456 22.795 1.00 0.00 ATOM 618 N GLY 77 17.567 23.273 22.214 1.00 0.00 ATOM 619 CA GLY 77 17.986 24.547 22.800 1.00 0.00 ATOM 620 O GLY 77 19.748 25.488 24.107 1.00 0.00 ATOM 621 C GLY 77 19.288 24.458 23.615 1.00 0.00 ATOM 622 N ASP 78 19.877 23.260 23.708 1.00 0.00 ATOM 623 CA ASP 78 21.148 23.093 24.422 1.00 0.00 ATOM 624 CB ASP 78 21.535 21.613 24.492 1.00 0.00 ATOM 625 CG ASP 78 20.841 20.834 25.601 1.00 0.00 ATOM 626 OD1 ASP 78 20.214 21.449 26.430 1.00 0.00 ATOM 627 OD2 ASP 78 20.813 19.629 25.523 1.00 0.00 ATOM 628 O ASP 78 22.431 23.956 22.548 1.00 0.00 ATOM 629 C ASP 78 22.284 23.891 23.772 1.00 0.00 ATOM 630 N ARG 79 23.042 24.569 24.624 1.00 0.00 ATOM 631 CA ARG 79 24.289 25.245 24.239 1.00 0.00 ATOM 632 CB ARG 79 24.486 26.556 24.986 1.00 0.00 ATOM 633 CG ARG 79 25.749 27.319 24.619 1.00 0.00 ATOM 634 CD ARG 79 25.924 28.602 25.346 1.00 0.00 ATOM 635 NE ARG 79 27.148 29.316 25.023 1.00 0.00 ATOM 636 CZ ARG 79 27.564 30.439 25.640 1.00 0.00 ATOM 637 NH1 ARG 79 26.842 31.000 26.584 1.00 0.00 ATOM 638 NH2 ARG 79 28.707 30.978 25.254 1.00 0.00 ATOM 639 O ARG 79 25.557 23.645 25.507 1.00 0.00 ATOM 640 C ARG 79 25.429 24.256 24.436 1.00 0.00 ATOM 641 N ILE 80 26.280 24.221 23.426 1.00 0.00 ATOM 642 CA ILE 80 27.520 23.444 23.481 1.00 0.00 ATOM 643 CB ILE 80 27.477 22.242 22.519 1.00 0.00 ATOM 644 CG1 ILE 80 26.423 21.231 22.975 1.00 0.00 ATOM 645 CG2 ILE 80 28.846 21.586 22.427 1.00 0.00 ATOM 646 CD1 ILE 80 26.332 20.005 22.095 1.00 0.00 ATOM 647 O ILE 80 28.829 24.887 22.043 1.00 0.00 ATOM 648 C ILE 80 28.709 24.344 23.138 1.00 0.00 ATOM 649 N GLU 81 29.636 24.330 24.084 1.00 0.00 ATOM 650 CA GLU 81 30.920 25.034 23.924 1.00 0.00 ATOM 651 CB GLU 81 31.338 25.692 25.241 1.00 0.00 ATOM 652 CG GLU 81 30.445 26.843 25.681 1.00 0.00 ATOM 653 CD GLU 81 30.909 27.427 26.986 1.00 0.00 ATOM 654 OE1 GLU 81 31.885 26.952 27.514 1.00 0.00 ATOM 655 OE2 GLU 81 30.356 28.419 27.399 1.00 0.00 ATOM 656 O GLU 81 32.178 22.986 24.008 1.00 0.00 ATOM 657 C GLU 81 31.991 24.059 23.441 1.00 0.00 ATOM 658 N ILE 82 32.602 24.436 22.318 1.00 0.00 ATOM 659 CA ILE 82 33.741 23.718 21.717 1.00 0.00 ATOM 660 CB ILE 82 33.515 23.436 20.224 1.00 0.00 ATOM 661 CG1 ILE 82 32.312 22.492 20.054 1.00 0.00 ATOM 662 CG2 ILE 82 34.774 22.864 19.536 1.00 0.00 ATOM 663 CD1 ILE 82 31.970 22.146 18.600 1.00 0.00 ATOM 664 O ILE 82 34.895 25.804 21.620 1.00 0.00 ATOM 665 C ILE 82 34.956 24.617 21.946 1.00 0.00 ATOM 666 N TYR 83 35.854 24.154 22.782 1.00 0.00 ATOM 667 CA TYR 83 37.014 24.965 23.186 1.00 0.00 ATOM 668 CB TYR 83 36.603 25.794 24.416 1.00 0.00 ATOM 669 CG TYR 83 36.031 24.911 25.535 1.00 0.00 ATOM 670 CD1 TYR 83 36.901 24.443 26.495 1.00 0.00 ATOM 671 CD2 TYR 83 34.691 24.539 25.569 1.00 0.00 ATOM 672 CE1 TYR 83 36.440 23.619 27.502 1.00 0.00 ATOM 673 CE2 TYR 83 34.222 23.709 26.592 1.00 0.00 ATOM 674 CZ TYR 83 35.106 23.252 27.552 1.00 0.00 ATOM 675 OH TYR 83 34.765 22.298 28.462 1.00 0.00 ATOM 676 O TYR 83 38.360 23.001 23.646 1.00 0.00 ATOM 677 C TYR 83 38.323 24.205 23.408 1.00 0.00 ATOM 678 N ARG 84 39.423 24.972 23.359 1.00 0.00 ATOM 679 CA ARG 84 40.756 24.427 23.660 1.00 0.00 ATOM 680 CB ARG 84 41.794 25.495 23.319 1.00 0.00 ATOM 681 CG ARG 84 43.191 24.911 23.437 1.00 0.00 ATOM 682 CD ARG 84 44.321 25.757 22.884 1.00 0.00 ATOM 683 NE ARG 84 44.617 26.846 23.821 1.00 0.00 ATOM 684 CZ ARG 84 45.464 27.839 23.561 1.00 0.00 ATOM 685 NH1 ARG 84 46.122 27.914 22.408 1.00 0.00 ATOM 686 NH2 ARG 84 45.655 28.776 24.463 1.00 0.00 ATOM 687 O ARG 84 40.147 24.723 25.941 1.00 0.00 ATOM 688 C ARG 84 40.741 24.015 25.144 1.00 0.00 ATOM 689 N PRO 85 41.346 22.891 25.540 1.00 0.00 ATOM 690 CA PRO 85 41.342 22.435 26.944 1.00 0.00 ATOM 691 CB PRO 85 42.177 21.167 26.988 1.00 0.00 ATOM 692 CG PRO 85 43.053 21.366 25.762 1.00 0.00 ATOM 693 CD PRO 85 42.120 21.955 24.722 1.00 0.00 ATOM 694 O PRO 85 41.208 23.679 28.913 1.00 0.00 ATOM 695 C PRO 85 41.885 23.473 27.921 1.00 0.00 ATOM 696 N LEU 86 42.938 24.206 27.558 1.00 0.00 ATOM 697 CA LEU 86 43.417 25.338 28.388 1.00 0.00 ATOM 698 CB LEU 86 44.689 25.941 27.778 1.00 0.00 ATOM 699 CG LEU 86 45.928 25.039 27.827 1.00 0.00 ATOM 700 CD1 LEU 86 47.074 25.682 27.058 1.00 0.00 ATOM 701 CD2 LEU 86 46.321 24.792 29.276 1.00 0.00 ATOM 702 O LEU 86 42.364 27.172 29.557 1.00 0.00 ATOM 703 C LEU 86 42.372 26.451 28.572 1.00 0.00 ATOM 704 N LEU 87 41.485 26.532 27.588 1.00 0.00 ATOM 705 CA LEU 87 40.404 27.502 27.540 1.00 0.00 ATOM 706 CB LEU 87 39.927 27.692 26.095 1.00 0.00 ATOM 707 CG LEU 87 40.478 28.936 25.384 1.00 0.00 ATOM 708 CD1 LEU 87 41.989 29.010 25.559 1.00 0.00 ATOM 709 CD2 LEU 87 40.108 28.883 23.909 1.00 0.00 ATOM 710 O LEU 87 38.278 28.011 28.449 1.00 0.00 ATOM 711 C LEU 87 39.165 27.186 28.401 1.00 0.00 ATOM 712 N ALA 88 39.268 26.173 29.265 1.00 0.00 ATOM 713 CA ALA 88 38.187 25.826 30.212 1.00 0.00 ATOM 714 CB ALA 88 38.594 24.636 31.073 1.00 0.00 ATOM 715 O ALA 88 36.771 27.148 31.639 1.00 0.00 ATOM 716 C ALA 88 37.899 26.948 31.201 1.00 0.00 ATOM 717 N ASP 89 38.960 27.648 31.575 1.00 0.00 ATOM 718 CA ASP 89 38.886 28.647 32.654 1.00 0.00 ATOM 719 CB ASP 89 40.275 29.208 32.963 1.00 0.00 ATOM 720 CG ASP 89 40.332 30.109 34.189 1.00 0.00 ATOM 721 OD1 ASP 89 39.733 31.157 34.160 1.00 0.00 ATOM 722 OD2 ASP 89 40.840 29.677 35.196 1.00 0.00 ATOM 723 O ASP 89 38.032 30.308 31.149 1.00 0.00 ATOM 724 C ASP 89 37.916 29.758 32.232 1.00 0.00 ATOM 725 N PRO 90 36.986 30.127 33.118 1.00 0.00 ATOM 726 CA PRO 90 35.983 31.168 32.853 1.00 0.00 ATOM 727 CB PRO 90 35.271 31.327 34.184 1.00 0.00 ATOM 728 CG PRO 90 35.341 29.923 34.761 1.00 0.00 ATOM 729 CD PRO 90 36.750 29.475 34.422 1.00 0.00 ATOM 730 O PRO 90 36.303 33.099 31.431 1.00 0.00 ATOM 731 C PRO 90 36.630 32.498 32.448 1.00 0.00 ATOM 732 N LYS 91 37.617 32.969 33.192 1.00 0.00 ATOM 733 CA LYS 91 38.332 34.200 32.783 1.00 0.00 ATOM 734 CB LYS 91 39.354 34.605 33.847 1.00 0.00 ATOM 735 CG LYS 91 38.741 35.128 35.140 1.00 0.00 ATOM 736 CD LYS 91 39.815 35.510 36.147 1.00 0.00 ATOM 737 CE LYS 91 39.204 36.013 37.446 1.00 0.00 ATOM 738 NZ LYS 91 40.244 36.361 38.452 1.00 0.00 ATOM 739 O LYS 91 38.932 34.949 30.580 1.00 0.00 ATOM 740 C LYS 91 39.044 34.067 31.438 1.00 0.00 ATOM 741 N GLU 92 39.586 32.880 31.210 1.00 0.00 ATOM 742 CA GLU 92 40.257 32.545 29.947 1.00 0.00 ATOM 743 CB GLU 92 40.995 31.210 30.069 1.00 0.00 ATOM 744 CG GLU 92 41.769 30.804 28.823 1.00 0.00 ATOM 745 CD GLU 92 42.909 31.746 28.557 1.00 0.00 ATOM 746 OE1 GLU 92 43.201 32.552 29.408 1.00 0.00 ATOM 747 OE2 GLU 92 43.562 31.589 27.552 1.00 0.00 ATOM 748 O GLU 92 39.595 32.921 27.663 1.00 0.00 ATOM 749 C GLU 92 39.286 32.481 28.765 1.00 0.00 ATOM 750 N ILE 93 38.087 31.985 29.042 1.00 0.00 ATOM 751 CA ILE 93 37.010 31.901 28.036 1.00 0.00 ATOM 752 CB ILE 93 35.758 31.193 28.583 1.00 0.00 ATOM 753 CG1 ILE 93 36.037 29.720 28.871 1.00 0.00 ATOM 754 CG2 ILE 93 34.655 31.250 27.523 1.00 0.00 ATOM 755 CD1 ILE 93 34.971 28.975 29.678 1.00 0.00 ATOM 756 O ILE 93 36.603 33.568 26.372 1.00 0.00 ATOM 757 C ILE 93 36.656 33.308 27.571 1.00 0.00 ATOM 758 N ARG 94 36.445 34.203 28.524 1.00 0.00 ATOM 759 CA ARG 94 36.098 35.589 28.195 1.00 0.00 ATOM 760 CB ARG 94 35.899 36.442 29.439 1.00 0.00 ATOM 761 CG ARG 94 34.642 36.128 30.236 1.00 0.00 ATOM 762 CD ARG 94 34.489 36.929 31.478 1.00 0.00 ATOM 763 NE ARG 94 33.310 36.601 32.262 1.00 0.00 ATOM 764 CZ ARG 94 33.023 37.130 33.469 1.00 0.00 ATOM 765 NH1 ARG 94 33.842 37.979 34.048 1.00 0.00 ATOM 766 NH2 ARG 94 31.906 36.752 34.065 1.00 0.00 ATOM 767 O ARG 94 36.766 36.826 26.274 1.00 0.00 ATOM 768 C ARG 94 37.143 36.184 27.252 1.00 0.00 ATOM 769 N ARG 95 38.415 35.904 27.517 1.00 0.00 ATOM 770 CA ARG 95 39.584 36.317 26.717 1.00 0.00 ATOM 771 CB ARG 95 40.877 35.703 27.232 1.00 0.00 ATOM 772 CG ARG 95 42.127 36.107 26.466 1.00 0.00 ATOM 773 CD ARG 95 43.388 35.547 27.014 1.00 0.00 ATOM 774 NE ARG 95 44.583 35.913 26.269 1.00 0.00 ATOM 775 CZ ARG 95 45.833 35.524 26.588 1.00 0.00 ATOM 776 NH1 ARG 95 46.062 34.791 27.656 1.00 0.00 ATOM 777 NH2 ARG 95 46.827 35.920 25.813 1.00 0.00 ATOM 778 O ARG 95 39.518 36.911 24.399 1.00 0.00 ATOM 779 C ARG 95 39.395 36.027 25.239 1.00 0.00 ATOM 780 N GLU 96 39.044 34.776 25.021 1.00 0.00 ATOM 781 CA GLU 96 38.892 34.245 23.657 1.00 0.00 ATOM 782 CB GLU 96 39.380 32.797 23.588 1.00 0.00 ATOM 783 CG GLU 96 40.849 32.611 23.939 1.00 0.00 ATOM 784 CD GLU 96 41.742 33.249 22.911 1.00 0.00 ATOM 785 OE1 GLU 96 41.265 33.547 21.842 1.00 0.00 ATOM 786 OE2 GLU 96 42.869 33.541 23.231 1.00 0.00 ATOM 787 O GLU 96 37.159 33.882 22.029 1.00 0.00 ATOM 788 C GLU 96 37.454 34.310 23.142 1.00 0.00 ATOM 789 N GLY 97 36.653 35.082 23.887 1.00 0.00 ATOM 790 CA GLY 97 35.235 35.303 23.602 1.00 0.00 ATOM 791 O GLY 97 34.950 33.001 24.240 1.00 0.00 ATOM 792 C GLY 97 34.407 34.013 23.738 1.00 0.00 TER END