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 1 Wed Jul 26 13:16:43 2006 MODEL 1 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 5.375 27.092 13.093 1.00 0.00 ATOM 2 CA MET 1 5.963 27.308 11.760 1.00 0.00 ATOM 3 CB MET 1 7.107 28.322 11.831 1.00 0.00 ATOM 4 CG MET 1 6.607 29.741 12.134 1.00 0.00 ATOM 5 SD MET 1 7.976 30.953 12.214 1.00 0.00 ATOM 6 CE MET 1 8.362 31.141 10.485 1.00 0.00 ATOM 7 O MET 1 6.300 24.925 11.758 1.00 0.00 ATOM 8 C MET 1 6.408 25.976 11.146 1.00 0.00 ATOM 9 N ALA 2 6.809 26.057 9.882 1.00 0.00 ATOM 10 CA ALA 2 7.212 24.865 9.149 1.00 0.00 ATOM 11 CB ALA 2 7.613 25.233 7.718 1.00 0.00 ATOM 12 O ALA 2 8.359 22.928 9.966 1.00 0.00 ATOM 13 C ALA 2 8.367 24.151 9.837 1.00 0.00 ATOM 14 N HIS 3 9.350 24.907 10.312 1.00 0.00 ATOM 15 CA HIS 3 10.494 24.290 10.984 1.00 0.00 ATOM 16 CB HIS 3 11.695 25.245 11.088 1.00 0.00 ATOM 17 CG HIS 3 11.397 26.562 11.738 1.00 0.00 ATOM 18 CD2 HIS 3 10.432 27.481 11.493 1.00 0.00 ATOM 19 ND1 HIS 3 12.189 27.100 12.731 1.00 0.00 ATOM 20 CE1 HIS 3 11.729 28.292 13.065 1.00 0.00 ATOM 21 NE2 HIS 3 10.664 28.547 12.325 1.00 0.00 ATOM 22 O HIS 3 10.663 22.640 12.736 1.00 0.00 ATOM 23 C HIS 3 10.172 23.719 12.357 1.00 0.00 ATOM 24 N HIS 4 9.269 24.381 13.064 1.00 0.00 ATOM 25 CA HIS 4 8.872 23.893 14.375 1.00 0.00 ATOM 26 CB HIS 4 8.040 24.950 15.059 1.00 0.00 ATOM 27 CG HIS 4 8.816 26.176 15.368 1.00 0.00 ATOM 28 CD2 HIS 4 9.992 26.334 16.019 1.00 0.00 ATOM 29 ND1 HIS 4 8.402 27.433 15.006 1.00 0.00 ATOM 30 CE1 HIS 4 9.278 28.324 15.443 1.00 0.00 ATOM 31 NE2 HIS 4 10.252 27.680 16.060 1.00 0.00 ATOM 32 O HIS 4 8.314 21.614 14.999 1.00 0.00 ATOM 33 C HIS 4 8.080 22.573 14.243 1.00 0.00 ATOM 34 N HIS 5 7.182 22.520 13.268 1.00 0.00 ATOM 35 CA HIS 5 6.390 21.318 13.029 1.00 0.00 ATOM 36 CB HIS 5 5.324 21.608 11.968 1.00 0.00 ATOM 37 CG HIS 5 4.242 22.532 12.437 1.00 0.00 ATOM 38 CD2 HIS 5 3.910 22.957 13.678 1.00 0.00 ATOM 39 ND1 HIS 5 3.352 23.136 11.573 1.00 0.00 ATOM 40 CE1 HIS 5 2.516 23.889 12.265 1.00 0.00 ATOM 41 NE2 HIS 5 2.835 23.799 13.544 1.00 0.00 ATOM 42 O HIS 5 7.085 18.991 13.039 1.00 0.00 ATOM 43 C HIS 5 7.253 20.125 12.560 1.00 0.00 ATOM 44 N HIS 6 8.180 20.399 11.647 1.00 0.00 ATOM 45 CA HIS 6 9.073 19.361 11.145 1.00 0.00 ATOM 46 CB HIS 6 9.919 19.910 9.992 1.00 0.00 ATOM 47 CG HIS 6 9.136 20.173 8.742 1.00 0.00 ATOM 48 CD2 HIS 6 7.894 19.781 8.369 1.00 0.00 ATOM 49 ND1 HIS 6 9.629 20.926 7.699 1.00 0.00 ATOM 50 CE1 HIS 6 8.725 20.986 6.737 1.00 0.00 ATOM 51 NE2 HIS 6 7.664 20.301 7.120 1.00 0.00 ATOM 52 O HIS 6 10.202 17.601 12.344 1.00 0.00 ATOM 53 C HIS 6 9.968 18.811 12.255 1.00 0.00 ATOM 54 N HIS 7 10.479 19.715 13.141 1.00 0.00 ATOM 55 CA HIS 7 11.354 19.325 14.246 1.00 0.00 ATOM 56 CB HIS 7 11.958 20.584 14.879 1.00 0.00 ATOM 57 CG HIS 7 12.986 21.254 14.021 1.00 0.00 ATOM 58 CD2 HIS 7 13.653 20.822 12.925 1.00 0.00 ATOM 59 ND1 HIS 7 13.431 22.536 14.261 1.00 0.00 ATOM 60 CE1 HIS 7 14.332 22.863 13.349 1.00 0.00 ATOM 61 NE2 HIS 7 14.483 21.842 12.527 1.00 0.00 ATOM 62 O HIS 7 11.122 17.464 15.710 1.00 0.00 ATOM 63 C HIS 7 10.615 18.489 15.287 1.00 0.00 ATOM 64 N HIS 8 9.387 18.896 15.631 1.00 0.00 ATOM 65 CA HIS 8 8.542 18.146 16.585 1.00 0.00 ATOM 66 CB HIS 8 7.202 18.859 16.806 1.00 0.00 ATOM 67 CG HIS 8 6.313 18.175 17.796 1.00 0.00 ATOM 68 CD2 HIS 8 5.166 17.475 17.629 1.00 0.00 ATOM 69 ND1 HIS 8 6.572 18.167 19.150 1.00 0.00 ATOM 70 CE1 HIS 8 5.622 17.492 19.772 1.00 0.00 ATOM 71 NE2 HIS 8 4.758 17.061 18.874 1.00 0.00 ATOM 72 O HIS 8 8.446 15.770 16.850 1.00 0.00 ATOM 73 C HIS 8 8.312 16.742 16.060 1.00 0.00 ATOM 74 N SER 9 7.901 16.609 14.801 1.00 0.00 ATOM 75 CA SER 9 7.650 15.261 14.250 1.00 0.00 ATOM 76 CB SER 9 7.173 15.298 12.787 1.00 0.00 ATOM 77 OG SER 9 5.944 15.973 12.915 1.00 0.00 ATOM 78 O SER 9 8.878 13.224 14.554 1.00 0.00 ATOM 79 C SER 9 8.918 14.408 14.233 1.00 0.00 ATOM 80 N LEU 10 10.034 14.967 13.825 1.00 0.00 ATOM 81 CA LEU 10 11.309 14.255 13.743 1.00 0.00 ATOM 82 CB LEU 10 12.140 14.850 12.598 1.00 0.00 ATOM 83 CG LEU 10 11.529 14.697 11.201 1.00 0.00 ATOM 84 CD1 LEU 10 12.395 15.414 10.172 1.00 0.00 ATOM 85 CD2 LEU 10 11.399 13.220 10.861 1.00 0.00 ATOM 86 O LEU 10 13.229 13.856 15.126 1.00 0.00 ATOM 87 C LEU 10 12.131 14.408 15.022 1.00 0.00 ATOM 88 N ASN 11 11.632 15.163 16.021 1.00 0.00 ATOM 89 CA ASN 11 12.341 15.386 17.275 1.00 0.00 ATOM 90 CB ASN 11 11.767 14.655 18.420 1.00 0.00 ATOM 91 CG ASN 11 12.583 14.822 19.689 1.00 0.00 ATOM 92 ND2 ASN 11 13.116 13.716 20.196 1.00 0.00 ATOM 93 OD1 ASN 11 12.728 15.929 20.210 1.00 0.00 ATOM 94 O ASN 11 14.734 15.464 17.511 1.00 0.00 ATOM 95 C ASN 11 13.719 15.983 17.035 1.00 0.00 ATOM 96 N GLN 12 13.764 17.044 16.262 1.00 0.00 ATOM 97 CA GLN 12 15.010 17.708 15.911 1.00 0.00 ATOM 98 CB GLN 12 14.758 18.646 14.728 1.00 0.00 ATOM 99 CG GLN 12 14.595 17.936 13.395 1.00 0.00 ATOM 100 CD GLN 12 15.911 17.399 12.861 1.00 0.00 ATOM 101 OE1 GLN 12 16.915 18.114 12.811 1.00 0.00 ATOM 102 NE2 GLN 12 15.910 16.134 12.456 1.00 0.00 ATOM 103 O GLN 12 14.733 19.239 17.752 1.00 0.00 ATOM 104 C GLN 12 15.500 18.515 17.120 1.00 0.00 ATOM 105 N ILE 13 16.801 18.433 17.367 1.00 0.00 ATOM 106 CA ILE 13 17.422 19.148 18.496 1.00 0.00 ATOM 107 CB ILE 13 18.127 18.173 19.457 1.00 0.00 ATOM 108 CG1 ILE 13 17.103 17.261 20.137 1.00 0.00 ATOM 109 CG2 ILE 13 18.932 18.938 20.495 1.00 0.00 ATOM 110 CD1 ILE 13 17.703 16.016 20.747 1.00 0.00 ATOM 111 O ILE 13 19.279 19.832 17.107 1.00 0.00 ATOM 112 C ILE 13 18.421 20.166 17.919 1.00 0.00 ATOM 113 N ASN 14 18.170 21.423 18.185 1.00 0.00 ATOM 114 CA ASN 14 19.061 22.477 17.707 1.00 0.00 ATOM 115 CB ASN 14 18.282 23.765 17.406 1.00 0.00 ATOM 116 CG ASN 14 19.233 24.748 16.717 1.00 0.00 ATOM 117 ND2 ASN 14 18.962 25.090 15.475 1.00 0.00 ATOM 118 OD1 ASN 14 20.221 25.160 17.316 1.00 0.00 ATOM 119 O ASN 14 19.513 22.836 20.031 1.00 0.00 ATOM 120 C ASN 14 19.958 22.895 18.872 1.00 0.00 ATOM 121 N ILE 15 21.256 22.924 18.620 1.00 0.00 ATOM 122 CA ILE 15 22.221 23.301 19.651 1.00 0.00 ATOM 123 CB ILE 15 23.156 22.156 20.080 1.00 0.00 ATOM 124 CG1 ILE 15 23.800 21.505 18.853 1.00 0.00 ATOM 125 CG2 ILE 15 22.393 21.123 20.896 1.00 0.00 ATOM 126 CD1 ILE 15 25.002 20.647 19.178 1.00 0.00 ATOM 127 O ILE 15 23.392 24.469 17.896 1.00 0.00 ATOM 128 C ILE 15 23.020 24.473 19.076 1.00 0.00 ATOM 129 N GLU 16 23.458 25.331 19.983 1.00 0.00 ATOM 130 CA GLU 16 24.347 26.445 19.635 1.00 0.00 ATOM 131 CB GLU 16 23.904 27.733 20.332 1.00 0.00 ATOM 132 CG GLU 16 24.776 28.943 20.028 1.00 0.00 ATOM 133 CD GLU 16 24.261 30.173 20.720 1.00 0.00 ATOM 134 OE1 GLU 16 23.275 30.076 21.411 1.00 0.00 ATOM 135 OE2 GLU 16 24.916 31.188 20.651 1.00 0.00 ATOM 136 O GLU 16 26.092 25.939 21.195 1.00 0.00 ATOM 137 C GLU 16 25.777 26.091 20.017 1.00 0.00 ATOM 138 N ILE 17 26.616 25.931 19.019 1.00 0.00 ATOM 139 CA ILE 17 28.018 25.603 19.244 1.00 0.00 ATOM 140 CB ILE 17 28.582 24.720 18.129 1.00 0.00 ATOM 141 CG1 ILE 17 27.792 23.403 18.026 1.00 0.00 ATOM 142 CG2 ILE 17 30.060 24.422 18.380 1.00 0.00 ATOM 143 CD1 ILE 17 28.136 22.501 16.891 1.00 0.00 ATOM 144 O ILE 17 28.678 27.733 18.368 1.00 0.00 ATOM 145 C ILE 17 28.825 26.902 19.263 1.00 0.00 ATOM 146 N ALA 18 29.624 27.054 20.304 1.00 0.00 ATOM 147 CA ALA 18 30.556 28.184 20.460 1.00 0.00 ATOM 148 CB ALA 18 30.302 28.926 21.777 1.00 0.00 ATOM 149 O ALA 18 32.448 27.009 21.357 1.00 0.00 ATOM 150 C ALA 18 31.989 27.674 20.428 1.00 0.00 ATOM 151 N TYR 19 32.705 28.100 19.395 1.00 0.00 ATOM 152 CA TYR 19 34.145 27.814 19.243 1.00 0.00 ATOM 153 CB TYR 19 34.567 27.911 17.793 1.00 0.00 ATOM 154 CG TYR 19 34.090 26.768 16.919 1.00 0.00 ATOM 155 CD1 TYR 19 34.767 25.548 16.906 1.00 0.00 ATOM 156 CD2 TYR 19 32.967 26.914 16.110 1.00 0.00 ATOM 157 CE1 TYR 19 34.341 24.498 16.094 1.00 0.00 ATOM 158 CE2 TYR 19 32.536 25.867 15.288 1.00 0.00 ATOM 159 CZ TYR 19 33.234 24.667 15.296 1.00 0.00 ATOM 160 OH TYR 19 32.830 23.629 14.502 1.00 0.00 ATOM 161 O TYR 19 34.657 30.019 19.998 1.00 0.00 ATOM 162 C TYR 19 34.994 28.840 19.975 1.00 0.00 ATOM 163 N ALA 20 36.098 28.346 20.525 1.00 0.00 ATOM 164 CA ALA 20 37.094 29.230 21.191 1.00 0.00 ATOM 165 CB ALA 20 38.344 28.539 21.419 1.00 0.00 ATOM 166 O ALA 20 37.255 31.603 20.748 1.00 0.00 ATOM 167 C ALA 20 37.445 30.457 20.354 1.00 0.00 ATOM 168 N PHE 21 37.799 30.176 19.096 1.00 0.00 ATOM 169 CA PHE 21 38.158 31.203 18.119 1.00 0.00 ATOM 170 CB PHE 21 39.652 31.183 17.849 1.00 0.00 ATOM 171 CG PHE 21 40.493 31.413 19.073 1.00 0.00 ATOM 172 CD1 PHE 21 40.764 30.369 19.955 1.00 0.00 ATOM 173 CD2 PHE 21 41.036 32.669 19.332 1.00 0.00 ATOM 174 CE1 PHE 21 41.570 30.570 21.079 1.00 0.00 ATOM 175 CE2 PHE 21 41.844 32.883 20.453 1.00 0.00 ATOM 176 CZ PHE 21 42.112 31.831 21.327 1.00 0.00 ATOM 177 O PHE 21 37.005 29.853 16.517 1.00 0.00 ATOM 178 C PHE 21 37.290 30.990 16.884 1.00 0.00 ATOM 179 N PRO 22 36.919 32.081 16.221 1.00 0.00 ATOM 180 CA PRO 22 36.141 31.987 14.976 1.00 0.00 ATOM 181 CB PRO 22 35.463 33.356 14.927 1.00 0.00 ATOM 182 CG PRO 22 36.521 34.254 15.454 1.00 0.00 ATOM 183 CD PRO 22 37.102 33.479 16.635 1.00 0.00 ATOM 184 O PRO 22 37.110 32.855 13.003 1.00 0.00 ATOM 185 C PRO 22 36.982 31.841 13.722 1.00 0.00 ATOM 186 N GLU 23 37.718 30.728 13.612 1.00 0.00 ATOM 187 CA GLU 23 38.607 30.562 12.456 1.00 0.00 ATOM 188 CB GLU 23 39.351 29.337 12.538 1.00 0.00 ATOM 189 CG GLU 23 40.403 29.422 13.659 1.00 0.00 ATOM 190 CD GLU 23 41.403 30.584 13.506 1.00 0.00 ATOM 191 OE1 GLU 23 41.475 31.189 12.424 1.00 0.00 ATOM 192 OE2 GLU 23 42.139 30.883 14.478 1.00 0.00 ATOM 193 O GLU 23 38.017 31.178 10.221 1.00 0.00 ATOM 194 C GLU 23 37.689 30.575 11.243 1.00 0.00 ATOM 195 N ARG 24 36.468 29.869 11.429 1.00 0.00 ATOM 196 CA ARG 24 35.469 29.818 10.371 1.00 0.00 ATOM 197 CB ARG 24 34.860 28.513 10.135 1.00 0.00 ATOM 198 CG ARG 24 35.849 27.574 9.456 1.00 0.00 ATOM 199 CD ARG 24 36.277 28.087 8.073 1.00 0.00 ATOM 200 NE ARG 24 35.089 28.187 7.252 1.00 0.00 ATOM 201 CZ ARG 24 34.795 29.162 6.401 1.00 0.00 ATOM 202 NH1 ARG 24 35.624 30.183 6.198 1.00 0.00 ATOM 203 NH2 ARG 24 33.608 29.146 5.805 1.00 0.00 ATOM 204 O ARG 24 33.764 31.571 10.210 1.00 0.00 ATOM 205 C ARG 24 34.268 30.668 10.905 1.00 0.00 ATOM 206 N TYR 25 33.818 30.318 12.149 1.00 0.00 ATOM 207 CA TYR 25 32.765 31.115 12.822 1.00 0.00 ATOM 208 CB TYR 25 31.396 30.458 12.714 1.00 0.00 ATOM 209 CG TYR 25 30.962 30.310 11.268 1.00 0.00 ATOM 210 CD1 TYR 25 30.275 31.335 10.649 1.00 0.00 ATOM 211 CD2 TYR 25 31.308 29.161 10.569 1.00 0.00 ATOM 212 CE1 TYR 25 29.964 31.193 9.303 1.00 0.00 ATOM 213 CE2 TYR 25 30.989 29.034 9.227 1.00 0.00 ATOM 214 CZ TYR 25 30.313 30.058 8.598 1.00 0.00 ATOM 215 OH TYR 25 29.765 29.888 7.363 1.00 0.00 ATOM 216 O TYR 25 33.431 30.000 14.827 1.00 0.00 ATOM 217 C TYR 25 33.034 31.048 14.325 1.00 0.00 ATOM 218 N TYR 26 32.576 32.069 15.039 1.00 0.00 ATOM 219 CA TYR 26 32.598 32.056 16.512 1.00 0.00 ATOM 220 CB TYR 26 32.376 33.468 17.059 1.00 0.00 ATOM 221 CG TYR 26 32.508 33.571 18.563 1.00 0.00 ATOM 222 CD1 TYR 26 33.754 33.560 19.172 1.00 0.00 ATOM 223 CD2 TYR 26 31.384 33.682 19.369 1.00 0.00 ATOM 224 CE1 TYR 26 33.880 33.652 20.543 1.00 0.00 ATOM 225 CE2 TYR 26 31.498 33.777 20.742 1.00 0.00 ATOM 226 CZ TYR 26 32.748 33.762 21.328 1.00 0.00 ATOM 227 OH TYR 26 32.866 33.856 22.695 1.00 0.00 ATOM 228 O TYR 26 31.783 30.454 18.136 1.00 0.00 ATOM 229 C TYR 26 31.553 31.092 17.104 1.00 0.00 ATOM 230 N LEU 27 30.446 30.959 16.402 1.00 0.00 ATOM 231 CA LEU 27 29.309 30.140 16.828 1.00 0.00 ATOM 232 CB LEU 27 28.422 30.930 17.800 1.00 0.00 ATOM 233 CG LEU 27 27.852 32.242 17.244 1.00 0.00 ATOM 234 CD1 LEU 27 26.570 31.967 16.468 1.00 0.00 ATOM 235 CD2 LEU 27 27.592 33.210 18.388 1.00 0.00 ATOM 236 O LEU 27 28.480 30.336 14.573 1.00 0.00 ATOM 237 C LEU 27 28.508 29.681 15.619 1.00 0.00 ATOM 238 N LYS 28 27.793 28.593 15.822 1.00 0.00 ATOM 239 CA LYS 28 26.913 28.034 14.796 1.00 0.00 ATOM 240 CB LYS 28 27.734 27.171 13.830 1.00 0.00 ATOM 241 CG LYS 28 26.979 26.722 12.585 1.00 0.00 ATOM 242 CD LYS 28 26.650 27.905 11.688 1.00 0.00 ATOM 243 CE LYS 28 25.884 27.465 10.449 1.00 0.00 ATOM 244 NZ LYS 28 24.569 26.866 10.800 1.00 0.00 ATOM 245 O LYS 28 26.064 26.391 16.326 1.00 0.00 ATOM 246 C LYS 28 25.819 27.179 15.423 1.00 0.00 ATOM 247 N SER 29 24.644 27.329 14.841 1.00 0.00 ATOM 248 CA SER 29 23.505 26.478 15.175 1.00 0.00 ATOM 249 CB SER 29 22.208 27.222 14.917 1.00 0.00 ATOM 250 OG SER 29 22.051 28.320 15.770 1.00 0.00 ATOM 251 O SER 29 23.700 25.213 13.153 1.00 0.00 ATOM 252 C SER 29 23.510 25.189 14.374 1.00 0.00 ATOM 253 N PHE 30 23.414 24.111 15.083 1.00 0.00 ATOM 254 CA PHE 30 23.398 22.806 14.439 1.00 0.00 ATOM 255 CB PHE 30 24.669 22.100 14.777 1.00 0.00 ATOM 256 CG PHE 30 25.618 22.176 13.601 1.00 0.00 ATOM 257 CD1 PHE 30 25.155 22.240 12.290 1.00 0.00 ATOM 258 CD2 PHE 30 26.942 22.382 13.889 1.00 0.00 ATOM 259 CE1 PHE 30 26.032 22.571 11.278 1.00 0.00 ATOM 260 CE2 PHE 30 27.822 22.686 12.856 1.00 0.00 ATOM 261 CZ PHE 30 27.367 22.806 11.565 1.00 0.00 ATOM 262 O PHE 30 21.697 22.000 15.922 1.00 0.00 ATOM 263 C PHE 30 22.077 22.091 14.752 1.00 0.00 ATOM 264 N GLN 31 21.494 21.671 13.711 1.00 0.00 ATOM 265 CA GLN 31 20.298 20.846 13.862 1.00 0.00 ATOM 266 CB GLN 31 19.347 21.098 12.700 1.00 0.00 ATOM 267 CG GLN 31 18.843 22.527 12.601 1.00 0.00 ATOM 268 CD GLN 31 17.990 22.755 11.369 1.00 0.00 ATOM 269 OE1 GLN 31 16.963 22.104 11.181 1.00 0.00 ATOM 270 NE2 GLN 31 18.416 23.684 10.520 1.00 0.00 ATOM 271 O GLN 31 21.480 19.062 12.869 1.00 0.00 ATOM 272 C GLN 31 20.634 19.372 13.683 1.00 0.00 ATOM 273 N VAL 32 20.272 18.612 14.690 1.00 0.00 ATOM 274 CA VAL 32 20.627 17.195 14.805 1.00 0.00 ATOM 275 CB VAL 32 21.433 17.037 16.087 1.00 0.00 ATOM 276 CG1 VAL 32 22.647 17.963 16.063 1.00 0.00 ATOM 277 CG2 VAL 32 20.626 17.320 17.356 1.00 0.00 ATOM 278 O VAL 32 18.311 16.858 15.317 1.00 0.00 ATOM 279 C VAL 32 19.329 16.362 14.830 1.00 0.00 ATOM 280 N ASP 33 19.426 15.107 14.445 1.00 0.00 ATOM 281 CA ASP 33 18.267 14.196 14.498 1.00 0.00 ATOM 282 CB ASP 33 18.581 12.882 13.779 1.00 0.00 ATOM 283 CG ASP 33 18.634 12.994 12.262 1.00 0.00 ATOM 284 OD1 ASP 33 18.245 14.016 11.747 1.00 0.00 ATOM 285 OD2 ASP 33 19.203 12.128 11.642 1.00 0.00 ATOM 286 O ASP 33 18.491 13.997 16.922 1.00 0.00 ATOM 287 C ASP 33 17.801 13.869 15.921 1.00 0.00 ATOM 288 N GLU 34 16.558 13.474 16.049 1.00 0.00 ATOM 289 CA GLU 34 16.086 12.970 17.358 1.00 0.00 ATOM 290 CB GLU 34 14.699 12.338 17.221 1.00 0.00 ATOM 291 CG GLU 34 14.665 11.076 16.369 1.00 0.00 ATOM 292 CD GLU 34 13.259 10.575 16.193 1.00 0.00 ATOM 293 OE1 GLU 34 12.617 10.302 17.177 1.00 0.00 ATOM 294 OE2 GLU 34 12.787 10.571 15.079 1.00 0.00 ATOM 295 O GLU 34 17.562 11.056 17.362 1.00 0.00 ATOM 296 C GLU 34 17.011 11.954 18.009 1.00 0.00 ATOM 297 N GLY 35 17.207 12.147 19.302 1.00 0.00 ATOM 298 CA GLY 35 18.047 11.265 20.119 1.00 0.00 ATOM 299 O GLY 35 20.272 10.512 20.145 1.00 0.00 ATOM 300 C GLY 35 19.520 11.453 19.868 1.00 0.00 ATOM 301 N ILE 36 19.970 12.686 19.449 1.00 0.00 ATOM 302 CA ILE 36 21.373 12.925 19.220 1.00 0.00 ATOM 303 CB ILE 36 21.653 14.225 18.461 1.00 0.00 ATOM 304 CG1 ILE 36 21.151 14.085 17.031 1.00 0.00 ATOM 305 CG2 ILE 36 23.101 14.716 18.423 1.00 0.00 ATOM 306 CD1 ILE 36 21.682 13.214 15.917 1.00 0.00 ATOM 307 O ILE 36 21.588 13.684 21.490 1.00 0.00 ATOM 308 C ILE 36 22.051 13.017 20.575 1.00 0.00 ATOM 309 N THR 37 23.243 12.469 20.536 1.00 0.00 ATOM 310 CA THR 37 24.168 12.515 21.679 1.00 0.00 ATOM 311 CB THR 37 24.768 11.152 21.972 1.00 0.00 ATOM 312 CG2 THR 37 23.647 10.133 22.253 1.00 0.00 ATOM 313 OG1 THR 37 25.514 10.671 20.852 1.00 0.00 ATOM 314 O THR 37 25.548 13.910 20.299 1.00 0.00 ATOM 315 C THR 37 25.365 13.422 21.411 1.00 0.00 ATOM 316 N VAL 38 26.197 13.632 22.406 1.00 0.00 ATOM 317 CA VAL 38 27.378 14.465 22.246 1.00 0.00 ATOM 318 CB VAL 38 28.133 14.431 23.568 1.00 0.00 ATOM 319 CG1 VAL 38 29.514 15.035 23.490 1.00 0.00 ATOM 320 CG2 VAL 38 27.311 15.277 24.504 1.00 0.00 ATOM 321 O VAL 38 28.870 14.639 20.369 1.00 0.00 ATOM 322 C VAL 38 28.270 13.902 21.150 1.00 0.00 ATOM 323 N GLN 39 28.420 12.595 21.141 1.00 0.00 ATOM 324 CA GLN 39 29.307 11.954 20.159 1.00 0.00 ATOM 325 CB GLN 39 29.270 10.437 20.317 1.00 0.00 ATOM 326 CG GLN 39 30.141 9.698 19.321 1.00 0.00 ATOM 327 CD GLN 39 31.606 10.057 19.461 1.00 0.00 ATOM 328 OE1 GLN 39 32.187 9.931 20.541 1.00 0.00 ATOM 329 NE2 GLN 39 32.214 10.503 18.372 1.00 0.00 ATOM 330 O GLN 39 29.663 12.570 17.847 1.00 0.00 ATOM 331 C GLN 39 28.858 12.276 18.720 1.00 0.00 ATOM 332 N THR 40 27.543 12.305 18.543 1.00 0.00 ATOM 333 CA THR 40 26.961 12.615 17.225 1.00 0.00 ATOM 334 CB THR 40 25.448 12.454 17.237 1.00 0.00 ATOM 335 CG2 THR 40 24.860 12.783 15.880 1.00 0.00 ATOM 336 OG1 THR 40 25.188 11.089 17.629 1.00 0.00 ATOM 337 O THR 40 27.708 14.307 15.702 1.00 0.00 ATOM 338 C THR 40 27.312 14.045 16.837 1.00 0.00 ATOM 339 N ALA 41 27.166 14.988 17.776 1.00 0.00 ATOM 340 CA ALA 41 27.474 16.391 17.527 1.00 0.00 ATOM 341 CB ALA 41 27.338 17.205 18.786 1.00 0.00 ATOM 342 O ALA 41 29.262 17.361 16.284 1.00 0.00 ATOM 343 C ALA 41 28.930 16.549 17.164 1.00 0.00 ATOM 344 N ILE 42 29.841 15.778 17.787 1.00 0.00 ATOM 345 CA ILE 42 31.269 15.829 17.443 1.00 0.00 ATOM 346 CB ILE 42 32.091 14.922 18.337 1.00 0.00 ATOM 347 CG1 ILE 42 31.945 15.384 19.791 1.00 0.00 ATOM 348 CG2 ILE 42 33.550 14.941 17.905 1.00 0.00 ATOM 349 CD1 ILE 42 32.366 16.825 20.030 1.00 0.00 ATOM 350 O ILE 42 32.246 16.021 15.243 1.00 0.00 ATOM 351 C ILE 42 31.482 15.398 15.991 1.00 0.00 ATOM 352 N THR 43 30.809 14.325 15.586 1.00 0.00 ATOM 353 CA THR 43 30.941 13.832 14.219 1.00 0.00 ATOM 354 CB THR 43 30.149 12.511 14.104 1.00 0.00 ATOM 355 CG2 THR 43 30.258 11.899 12.704 1.00 0.00 ATOM 356 OG1 THR 43 30.745 11.525 14.962 1.00 0.00 ATOM 357 O THR 43 31.103 15.143 12.197 1.00 0.00 ATOM 358 C THR 43 30.452 14.892 13.221 1.00 0.00 ATOM 359 N GLN 44 29.325 15.517 13.540 1.00 0.00 ATOM 360 CA GLN 44 28.750 16.549 12.666 1.00 0.00 ATOM 361 CB GLN 44 27.465 17.106 13.206 1.00 0.00 ATOM 362 CG GLN 44 26.846 18.086 12.226 1.00 0.00 ATOM 363 CD GLN 44 26.564 17.432 10.882 1.00 0.00 ATOM 364 OE1 GLN 44 26.712 18.056 9.828 1.00 0.00 ATOM 365 NE2 GLN 44 26.136 16.171 10.918 1.00 0.00 ATOM 366 O GLN 44 29.921 18.208 11.399 1.00 0.00 ATOM 367 C GLN 44 29.739 17.694 12.498 1.00 0.00 ATOM 368 N SER 45 30.337 18.106 13.629 1.00 0.00 ATOM 369 CA SER 45 31.316 19.191 13.587 1.00 0.00 ATOM 370 CB SER 45 31.682 19.623 14.987 1.00 0.00 ATOM 371 OG SER 45 31.993 18.521 15.829 1.00 0.00 ATOM 372 O SER 45 33.246 19.575 12.240 1.00 0.00 ATOM 373 C SER 45 32.519 18.732 12.764 1.00 0.00 ATOM 374 N GLY 46 32.619 17.415 12.564 1.00 0.00 ATOM 375 CA GLY 46 33.657 16.786 11.737 1.00 0.00 ATOM 376 O GLY 46 34.523 17.128 9.523 1.00 0.00 ATOM 377 C GLY 46 33.542 17.188 10.272 1.00 0.00 ATOM 378 N ILE 47 32.357 17.643 9.840 1.00 0.00 ATOM 379 CA ILE 47 32.102 18.065 8.464 1.00 0.00 ATOM 380 CB ILE 47 30.567 18.225 8.187 1.00 0.00 ATOM 381 CG1 ILE 47 29.812 16.905 8.382 1.00 0.00 ATOM 382 CG2 ILE 47 30.359 18.852 6.807 1.00 0.00 ATOM 383 CD1 ILE 47 30.388 15.677 7.758 1.00 0.00 ATOM 384 O ILE 47 33.347 19.500 6.974 1.00 0.00 ATOM 385 C ILE 47 32.765 19.405 8.071 1.00 0.00 ATOM 386 N LEU 48 32.702 20.436 8.889 1.00 0.00 ATOM 387 CA LEU 48 33.437 21.683 8.653 1.00 0.00 ATOM 388 CB LEU 48 33.094 22.694 9.708 1.00 0.00 ATOM 389 CG LEU 48 31.700 23.311 9.587 1.00 0.00 ATOM 390 CD1 LEU 48 31.398 24.157 10.816 1.00 0.00 ATOM 391 CD2 LEU 48 31.574 24.140 8.311 1.00 0.00 ATOM 392 O LEU 48 35.196 20.498 9.770 1.00 0.00 ATOM 393 C LEU 48 34.862 21.092 8.756 1.00 0.00 ATOM 394 N SER 49 35.239 20.662 7.465 1.00 0.00 ATOM 395 CA SER 49 36.181 19.537 7.286 1.00 0.00 ATOM 396 CB SER 49 36.436 19.219 5.833 1.00 0.00 ATOM 397 OG SER 49 36.958 20.315 5.105 1.00 0.00 ATOM 398 O SER 49 38.466 19.055 7.901 1.00 0.00 ATOM 399 C SER 49 37.518 19.869 7.931 1.00 0.00 ATOM 400 N GLN 50 37.656 21.085 8.465 1.00 0.00 ATOM 401 CA GLN 50 38.875 21.428 9.196 1.00 0.00 ATOM 402 CB GLN 50 38.544 23.158 9.230 1.00 0.00 ATOM 403 CG GLN 50 37.728 23.711 8.054 1.00 0.00 ATOM 404 CD GLN 50 38.451 23.565 6.717 1.00 0.00 ATOM 405 OE1 GLN 50 39.551 24.096 6.526 1.00 0.00 ATOM 406 NE2 GLN 50 37.829 22.849 5.786 1.00 0.00 ATOM 407 O GLN 50 39.876 20.411 11.094 1.00 0.00 ATOM 408 C GLN 50 38.827 20.776 10.593 1.00 0.00 ATOM 409 N PHE 51 37.637 20.483 11.079 1.00 0.00 ATOM 410 CA PHE 51 37.529 19.894 12.438 1.00 0.00 ATOM 411 CB PHE 51 36.078 19.989 12.913 1.00 0.00 ATOM 412 CG PHE 51 35.909 19.779 14.392 1.00 0.00 ATOM 413 CD1 PHE 51 36.308 20.754 15.293 1.00 0.00 ATOM 414 CD2 PHE 51 35.352 18.607 14.880 1.00 0.00 ATOM 415 CE1 PHE 51 36.154 20.560 16.654 1.00 0.00 ATOM 416 CE2 PHE 51 35.195 18.412 16.239 1.00 0.00 ATOM 417 CZ PHE 51 35.597 19.390 17.126 1.00 0.00 ATOM 418 O PHE 51 38.235 17.972 13.645 1.00 0.00 ATOM 419 C PHE 51 37.926 18.411 12.543 1.00 0.00 ATOM 420 N PRO 52 37.902 17.609 11.466 1.00 0.00 ATOM 421 CA PRO 52 38.267 16.195 11.492 1.00 0.00 ATOM 422 CB PRO 52 38.205 15.717 10.038 1.00 0.00 ATOM 423 CG PRO 52 37.231 16.618 9.334 1.00 0.00 ATOM 424 CD PRO 52 37.225 17.873 10.204 1.00 0.00 ATOM 425 O PRO 52 39.841 15.153 12.991 1.00 0.00 ATOM 426 C PRO 52 39.661 15.999 12.107 1.00 0.00 ATOM 427 N GLU 53 40.609 16.879 11.761 1.00 0.00 ATOM 428 CA GLU 53 41.966 16.769 12.297 1.00 0.00 ATOM 429 CB GLU 53 42.760 18.082 11.464 1.00 0.00 ATOM 430 CG GLU 53 42.321 18.450 10.074 1.00 0.00 ATOM 431 CD GLU 53 42.788 17.624 8.892 1.00 0.00 ATOM 432 OE1 GLU 53 43.718 16.803 9.061 1.00 0.00 ATOM 433 OE2 GLU 53 42.214 17.830 7.773 1.00 0.00 ATOM 434 O GLU 53 42.823 16.654 14.506 1.00 0.00 ATOM 435 C GLU 53 41.984 17.157 13.765 1.00 0.00 ATOM 436 N ILE 54 41.061 17.949 14.259 1.00 0.00 ATOM 437 CA ILE 54 41.076 18.390 15.654 1.00 0.00 ATOM 438 CB ILE 54 40.089 19.551 15.879 1.00 0.00 ATOM 439 CG1 ILE 54 40.524 20.751 15.036 1.00 0.00 ATOM 440 CG2 ILE 54 40.034 19.935 17.354 1.00 0.00 ATOM 441 CD1 ILE 54 39.664 21.962 15.201 1.00 0.00 ATOM 442 O ILE 54 39.663 16.545 16.338 1.00 0.00 ATOM 443 C ILE 54 40.658 17.237 16.581 1.00 0.00 ATOM 444 N ASP 55 41.350 17.132 17.706 1.00 0.00 ATOM 445 CA ASP 55 41.033 16.096 18.707 1.00 0.00 ATOM 446 CB ASP 55 42.309 15.705 19.410 1.00 0.00 ATOM 447 CG ASP 55 42.123 14.552 20.347 1.00 0.00 ATOM 448 OD1 ASP 55 41.020 14.368 20.942 1.00 0.00 ATOM 449 OD2 ASP 55 43.087 13.798 20.551 1.00 0.00 ATOM 450 O ASP 55 40.464 17.436 20.614 1.00 0.00 ATOM 451 C ASP 55 40.086 16.604 19.786 1.00 0.00 ATOM 452 N LEU 56 38.824 16.090 19.811 1.00 0.00 ATOM 453 CA LEU 56 37.814 16.508 20.771 1.00 0.00 ATOM 454 CB LEU 56 36.548 15.663 20.593 1.00 0.00 ATOM 455 CG LEU 56 35.538 15.937 21.718 1.00 0.00 ATOM 456 CD1 LEU 56 35.097 17.391 21.637 1.00 0.00 ATOM 457 CD2 LEU 56 34.480 14.868 21.865 1.00 0.00 ATOM 458 O LEU 56 38.055 17.184 23.061 1.00 0.00 ATOM 459 C LEU 56 38.286 16.318 22.213 1.00 0.00 ATOM 460 N SER 57 38.924 15.187 22.505 1.00 0.00 ATOM 461 CA SER 57 39.401 14.936 23.860 1.00 0.00 ATOM 462 CB SER 57 39.963 13.551 24.018 1.00 0.00 ATOM 463 OG SER 57 38.959 12.579 23.801 1.00 0.00 ATOM 464 O SER 57 40.389 16.676 25.179 1.00 0.00 ATOM 465 C SER 57 40.459 16.005 24.160 1.00 0.00 ATOM 466 N THR 58 41.365 16.297 23.207 1.00 0.00 ATOM 467 CA THR 58 42.378 17.330 23.396 1.00 0.00 ATOM 468 CB THR 58 43.394 17.262 22.360 1.00 0.00 ATOM 469 CG2 THR 58 44.317 18.441 22.457 1.00 0.00 ATOM 470 OG1 THR 58 44.234 16.120 22.644 1.00 0.00 ATOM 471 O THR 58 42.100 19.658 23.943 1.00 0.00 ATOM 472 C THR 58 41.686 18.689 23.306 1.00 0.00 ATOM 473 N ASN 59 40.583 18.741 22.564 1.00 0.00 ATOM 474 CA ASN 59 39.857 19.986 22.386 1.00 0.00 ATOM 475 CB ASN 59 39.277 20.120 20.989 1.00 0.00 ATOM 476 CG ASN 59 38.112 21.090 20.983 1.00 0.00 ATOM 477 ND2 ASN 59 38.209 22.090 20.131 1.00 0.00 ATOM 478 OD1 ASN 59 37.143 20.961 21.730 1.00 0.00 ATOM 479 O ASN 59 39.353 21.325 24.312 1.00 0.00 ATOM 480 C ASN 59 39.075 20.324 23.652 1.00 0.00 ATOM 481 N LYS 60 38.115 19.506 24.004 1.00 0.00 ATOM 482 CA LYS 60 37.282 19.726 25.182 1.00 0.00 ATOM 483 CB LYS 60 37.470 20.358 26.551 1.00 0.00 ATOM 484 CG LYS 60 38.798 20.042 27.237 1.00 0.00 ATOM 485 CD LYS 60 38.963 18.565 27.485 1.00 0.00 ATOM 486 CE LYS 60 40.228 18.296 28.306 1.00 0.00 ATOM 487 NZ LYS 60 40.462 16.848 28.427 1.00 0.00 ATOM 488 O LYS 60 35.912 21.344 23.957 1.00 0.00 ATOM 489 C LYS 60 35.955 20.389 24.780 1.00 0.00 ATOM 490 N ILE 61 34.888 19.806 25.294 1.00 0.00 ATOM 491 CA ILE 61 33.557 20.398 25.185 1.00 0.00 ATOM 492 CB ILE 61 32.654 19.607 24.246 1.00 0.00 ATOM 493 CG1 ILE 61 32.535 18.165 24.723 1.00 0.00 ATOM 494 CG2 ILE 61 33.124 19.801 22.807 1.00 0.00 ATOM 495 CD1 ILE 61 31.446 17.460 23.960 1.00 0.00 ATOM 496 O ILE 61 32.954 19.631 27.353 1.00 0.00 ATOM 497 C ILE 61 32.816 20.511 26.507 1.00 0.00 ATOM 498 N GLY 62 31.927 21.482 26.550 1.00 0.00 ATOM 499 CA GLY 62 30.995 21.653 27.670 1.00 0.00 ATOM 500 O GLY 62 29.393 22.835 26.393 1.00 0.00 ATOM 501 C GLY 62 29.588 21.888 27.154 1.00 0.00 ATOM 502 N ILE 63 28.631 21.276 27.834 1.00 0.00 ATOM 503 CA ILE 63 27.208 21.482 27.534 1.00 0.00 ATOM 504 CB ILE 63 26.547 20.128 27.203 1.00 0.00 ATOM 505 CG1 ILE 63 27.303 19.463 26.055 1.00 0.00 ATOM 506 CG2 ILE 63 25.064 20.314 26.902 1.00 0.00 ATOM 507 CD1 ILE 63 27.370 20.283 24.787 1.00 0.00 ATOM 508 O ILE 63 26.601 21.585 29.894 1.00 0.00 ATOM 509 C ILE 63 26.564 22.114 28.773 1.00 0.00 ATOM 510 N PHE 64 26.134 23.491 28.457 1.00 0.00 ATOM 511 CA PHE 64 25.612 24.359 29.501 1.00 0.00 ATOM 512 CB PHE 64 24.188 24.851 28.975 1.00 0.00 ATOM 513 CG PHE 64 23.541 25.773 29.917 1.00 0.00 ATOM 514 CD1 PHE 64 23.875 27.113 29.902 1.00 0.00 ATOM 515 CD2 PHE 64 22.698 25.293 30.914 1.00 0.00 ATOM 516 CE1 PHE 64 23.327 27.994 30.816 1.00 0.00 ATOM 517 CE2 PHE 64 22.153 26.160 31.839 1.00 0.00 ATOM 518 CZ PHE 64 22.467 27.532 31.782 1.00 0.00 ATOM 519 O PHE 64 25.869 24.541 31.929 1.00 0.00 ATOM 520 C PHE 64 26.401 24.549 30.814 1.00 0.00 ATOM 521 N SER 65 27.717 24.715 30.190 1.00 0.00 ATOM 522 CA SER 65 28.747 24.970 31.224 1.00 0.00 ATOM 523 CB SER 65 28.373 26.044 32.256 1.00 0.00 ATOM 524 OG SER 65 27.909 27.212 31.605 1.00 0.00 ATOM 525 O SER 65 29.797 23.937 33.074 1.00 0.00 ATOM 526 C SER 65 29.325 23.754 31.959 1.00 0.00 ATOM 527 N ARG 66 28.936 22.567 31.518 1.00 0.00 ATOM 528 CA ARG 66 29.252 21.289 32.174 1.00 0.00 ATOM 529 CB ARG 66 27.997 20.544 32.610 1.00 0.00 ATOM 530 CG ARG 66 27.182 21.242 33.686 1.00 0.00 ATOM 531 CD ARG 66 25.938 20.528 34.073 1.00 0.00 ATOM 532 NE ARG 66 24.924 20.476 33.033 1.00 0.00 ATOM 533 CZ ARG 66 23.780 19.768 33.114 1.00 0.00 ATOM 534 NH1 ARG 66 23.519 19.024 34.163 1.00 0.00 ATOM 535 NH2 ARG 66 22.938 19.825 32.097 1.00 0.00 ATOM 536 O ARG 66 29.754 19.991 30.211 1.00 0.00 ATOM 537 C ARG 66 29.960 20.195 31.382 1.00 0.00 ATOM 538 N PRO 67 30.926 19.554 31.977 1.00 0.00 ATOM 539 CA PRO 67 31.607 18.433 31.324 1.00 0.00 ATOM 540 CB PRO 67 32.675 17.995 32.317 1.00 0.00 ATOM 541 CG PRO 67 33.005 19.269 33.074 1.00 0.00 ATOM 542 CD PRO 67 31.610 19.957 33.221 1.00 0.00 ATOM 543 O PRO 67 30.141 16.905 32.488 1.00 0.00 ATOM 544 C PRO 67 30.674 17.235 31.424 1.00 0.00 ATOM 545 N ILE 68 30.517 16.589 30.294 1.00 0.00 ATOM 546 CA ILE 68 29.592 15.447 30.197 1.00 0.00 ATOM 547 CB ILE 68 28.272 15.872 29.496 1.00 0.00 ATOM 548 CG1 ILE 68 28.560 16.259 28.044 1.00 0.00 ATOM 549 CG2 ILE 68 27.619 17.026 30.240 1.00 0.00 ATOM 550 CD1 ILE 68 27.312 16.569 27.240 1.00 0.00 ATOM 551 O ILE 68 31.324 14.369 28.881 1.00 0.00 ATOM 552 C ILE 68 30.248 14.271 29.467 1.00 0.00 ATOM 553 N LYS 69 29.532 13.066 29.462 1.00 0.00 ATOM 554 CA LYS 69 29.928 11.967 28.605 1.00 0.00 ATOM 555 CB LYS 69 29.173 10.684 28.998 1.00 0.00 ATOM 556 CG LYS 69 29.601 10.069 30.326 1.00 0.00 ATOM 557 CD LYS 69 28.801 10.619 31.511 1.00 0.00 ATOM 558 CE LYS 69 29.333 10.094 32.852 1.00 0.00 ATOM 559 NZ LYS 69 30.731 10.548 33.124 1.00 0.00 ATOM 560 O LYS 69 28.636 12.850 26.767 1.00 0.00 ATOM 561 C LYS 69 29.523 12.081 27.135 1.00 0.00 ATOM 562 N LEU 70 30.211 11.303 26.297 1.00 0.00 ATOM 563 CA LEU 70 29.945 11.305 24.830 1.00 0.00 ATOM 564 CB LEU 70 30.984 10.442 24.105 1.00 0.00 ATOM 565 CG LEU 70 32.422 10.979 24.141 1.00 0.00 ATOM 566 CD1 LEU 70 33.371 9.970 23.513 1.00 0.00 ATOM 567 CD2 LEU 70 32.484 12.311 23.408 1.00 0.00 ATOM 568 O LEU 70 27.932 11.223 23.518 1.00 0.00 ATOM 569 C LEU 70 28.526 10.837 24.516 1.00 0.00 ATOM 570 N THR 71 27.988 10.026 25.410 1.00 0.00 ATOM 571 CA THR 71 26.623 9.504 25.229 1.00 0.00 ATOM 572 CB THR 71 26.627 8.039 25.758 1.00 0.00 ATOM 573 CG2 THR 71 27.446 7.087 24.895 1.00 0.00 ATOM 574 OG1 THR 71 27.244 8.049 27.058 1.00 0.00 ATOM 575 O THR 71 24.385 9.938 25.899 1.00 0.00 ATOM 576 C THR 71 25.536 10.379 25.851 1.00 0.00 ATOM 577 N ASP 72 25.911 11.529 26.386 1.00 0.00 ATOM 578 CA ASP 72 24.926 12.449 26.969 1.00 0.00 ATOM 579 CB ASP 72 25.626 13.611 27.678 1.00 0.00 ATOM 580 CG ASP 72 24.695 14.516 28.475 1.00 0.00 ATOM 581 OD1 ASP 72 23.795 15.068 27.893 1.00 0.00 ATOM 582 OD2 ASP 72 24.797 14.524 29.678 1.00 0.00 ATOM 583 O ASP 72 24.476 13.481 24.828 1.00 0.00 ATOM 584 C ASP 72 24.010 12.991 25.859 1.00 0.00 ATOM 585 N VAL 73 22.733 12.713 26.055 1.00 0.00 ATOM 586 CA VAL 73 21.684 13.166 25.123 1.00 0.00 ATOM 587 CB VAL 73 20.323 12.526 25.454 1.00 0.00 ATOM 588 CG1 VAL 73 19.239 13.076 24.539 1.00 0.00 ATOM 589 CG2 VAL 73 20.400 11.011 25.333 1.00 0.00 ATOM 590 O VAL 73 21.354 15.304 26.135 1.00 0.00 ATOM 591 C VAL 73 21.500 14.662 25.095 1.00 0.00 ATOM 592 N LEU 74 21.515 15.250 23.870 1.00 0.00 ATOM 593 CA LEU 74 21.398 16.676 23.701 1.00 0.00 ATOM 594 CB LEU 74 22.040 17.082 22.367 1.00 0.00 ATOM 595 CG LEU 74 23.560 16.902 22.292 1.00 0.00 ATOM 596 CD1 LEU 74 24.058 17.243 20.894 1.00 0.00 ATOM 597 CD2 LEU 74 24.229 17.789 23.333 1.00 0.00 ATOM 598 O LEU 74 19.075 16.372 23.172 1.00 0.00 ATOM 599 C LEU 74 19.940 17.094 23.678 1.00 0.00 ATOM 600 N LYS 75 19.641 18.261 24.246 1.00 0.00 ATOM 601 CA LYS 75 18.288 18.796 24.298 1.00 0.00 ATOM 602 CB LYS 75 17.923 19.223 25.715 1.00 0.00 ATOM 603 CG LYS 75 17.472 18.053 26.583 1.00 0.00 ATOM 604 CD LYS 75 18.534 17.630 27.582 1.00 0.00 ATOM 605 CE LYS 75 18.006 16.555 28.526 1.00 0.00 ATOM 606 NZ LYS 75 17.052 17.090 29.539 1.00 0.00 ATOM 607 O LYS 75 19.249 20.657 23.088 1.00 0.00 ATOM 608 C LYS 75 18.235 20.074 23.468 1.00 0.00 ATOM 609 N GLU 76 17.052 20.301 22.891 1.00 0.00 ATOM 610 CA GLU 76 16.850 21.510 22.084 1.00 0.00 ATOM 611 CB GLU 76 15.413 21.577 21.567 1.00 0.00 ATOM 612 CG GLU 76 15.136 22.736 20.622 1.00 0.00 ATOM 613 CD GLU 76 13.720 22.706 20.117 1.00 0.00 ATOM 614 OE1 GLU 76 13.006 21.796 20.463 1.00 0.00 ATOM 615 OE2 GLU 76 13.318 23.652 19.479 1.00 0.00 ATOM 616 O GLU 76 16.844 22.911 24.035 1.00 0.00 ATOM 617 C GLU 76 17.243 22.747 22.882 1.00 0.00 ATOM 618 N GLY 77 18.087 23.583 22.270 1.00 0.00 ATOM 619 CA GLY 77 18.514 24.841 22.851 1.00 0.00 ATOM 620 O GLY 77 20.169 25.690 24.330 1.00 0.00 ATOM 621 C GLY 77 19.769 24.696 23.719 1.00 0.00 ATOM 622 N ASP 78 20.386 23.512 23.769 1.00 0.00 ATOM 623 CA ASP 78 21.634 23.331 24.538 1.00 0.00 ATOM 624 CB ASP 78 21.992 21.847 24.643 1.00 0.00 ATOM 625 CG ASP 78 21.256 21.099 25.747 1.00 0.00 ATOM 626 OD1 ASP 78 20.470 21.711 26.429 1.00 0.00 ATOM 627 OD2 ASP 78 21.372 19.897 25.801 1.00 0.00 ATOM 628 O ASP 78 22.929 24.106 22.664 1.00 0.00 ATOM 629 C ASP 78 22.780 24.099 23.896 1.00 0.00 ATOM 630 N ARG 79 23.590 24.722 24.740 1.00 0.00 ATOM 631 CA ARG 79 24.770 25.452 24.270 1.00 0.00 ATOM 632 CB ARG 79 25.063 26.720 25.062 1.00 0.00 ATOM 633 CG ARG 79 26.311 27.422 24.498 1.00 0.00 ATOM 634 CD ARG 79 26.662 28.705 25.229 1.00 0.00 ATOM 635 NE ARG 79 25.673 29.761 25.022 1.00 0.00 ATOM 636 CZ ARG 79 25.693 30.637 24.022 1.00 0.00 ATOM 637 NH1 ARG 79 24.741 31.558 23.934 1.00 0.00 ATOM 638 NH2 ARG 79 26.663 30.603 23.116 1.00 0.00 ATOM 639 O ARG 79 26.259 24.142 25.617 1.00 0.00 ATOM 640 C ARG 79 26.005 24.578 24.508 1.00 0.00 ATOM 641 N ILE 80 26.751 24.334 23.433 1.00 0.00 ATOM 642 CA ILE 80 27.948 23.485 23.491 1.00 0.00 ATOM 643 CB ILE 80 27.842 22.287 22.529 1.00 0.00 ATOM 644 CG1 ILE 80 29.144 21.481 22.534 1.00 0.00 ATOM 645 CG2 ILE 80 27.510 22.763 21.122 1.00 0.00 ATOM 646 CD1 ILE 80 29.058 20.177 21.774 1.00 0.00 ATOM 647 O ILE 80 29.269 24.909 22.086 1.00 0.00 ATOM 648 C ILE 80 29.170 24.335 23.172 1.00 0.00 ATOM 649 N GLU 81 30.117 24.326 24.089 1.00 0.00 ATOM 650 CA GLU 81 31.392 25.027 23.897 1.00 0.00 ATOM 651 CB GLU 81 31.859 25.695 25.192 1.00 0.00 ATOM 652 CG GLU 81 30.966 26.833 25.672 1.00 0.00 ATOM 653 CD GLU 81 31.484 27.435 26.946 1.00 0.00 ATOM 654 OE1 GLU 81 32.475 26.959 27.446 1.00 0.00 ATOM 655 OE2 GLU 81 30.956 28.437 27.364 1.00 0.00 ATOM 656 O GLU 81 32.716 23.038 24.074 1.00 0.00 ATOM 657 C GLU 81 32.466 24.051 23.419 1.00 0.00 ATOM 658 N ILE 82 33.187 24.480 22.398 1.00 0.00 ATOM 659 CA ILE 82 34.299 23.700 21.826 1.00 0.00 ATOM 660 CB ILE 82 33.990 23.360 20.351 1.00 0.00 ATOM 661 CG1 ILE 82 32.691 22.549 20.269 1.00 0.00 ATOM 662 CG2 ILE 82 35.138 22.549 19.731 1.00 0.00 ATOM 663 CD1 ILE 82 32.287 22.199 18.839 1.00 0.00 ATOM 664 O ILE 82 35.783 25.527 21.363 1.00 0.00 ATOM 665 C ILE 82 35.542 24.548 22.072 1.00 0.00 ATOM 666 N TYR 83 36.394 24.069 22.990 1.00 0.00 ATOM 667 CA TYR 83 37.599 24.819 23.315 1.00 0.00 ATOM 668 CB TYR 83 37.209 25.680 24.509 1.00 0.00 ATOM 669 CG TYR 83 36.602 24.910 25.685 1.00 0.00 ATOM 670 CD1 TYR 83 37.393 24.303 26.640 1.00 0.00 ATOM 671 CD2 TYR 83 35.228 24.838 25.819 1.00 0.00 ATOM 672 CE1 TYR 83 36.818 23.632 27.707 1.00 0.00 ATOM 673 CE2 TYR 83 34.652 24.196 26.896 1.00 0.00 ATOM 674 CZ TYR 83 35.452 23.589 27.860 1.00 0.00 ATOM 675 OH TYR 83 34.900 22.971 28.935 1.00 0.00 ATOM 676 O TYR 83 38.696 22.942 24.281 1.00 0.00 ATOM 677 C TYR 83 38.829 24.049 23.749 1.00 0.00 ATOM 678 N ARG 84 39.978 24.638 23.600 1.00 0.00 ATOM 679 CA ARG 84 41.199 24.003 24.086 1.00 0.00 ATOM 680 CB ARG 84 42.357 24.919 23.917 1.00 0.00 ATOM 681 CG ARG 84 42.433 25.484 22.506 1.00 0.00 ATOM 682 CD ARG 84 42.982 24.493 21.479 1.00 0.00 ATOM 683 NE ARG 84 42.875 24.986 20.071 1.00 0.00 ATOM 684 CZ ARG 84 43.181 24.327 18.941 1.00 0.00 ATOM 685 NH1 ARG 84 43.654 23.083 19.020 1.00 0.00 ATOM 686 NH2 ARG 84 43.019 24.881 17.727 1.00 0.00 ATOM 687 O ARG 84 40.380 24.721 26.221 1.00 0.00 ATOM 688 C ARG 84 41.006 23.878 25.592 1.00 0.00 ATOM 689 N PRO 85 41.541 22.772 26.251 1.00 0.00 ATOM 690 CA PRO 85 41.359 22.612 27.693 1.00 0.00 ATOM 691 CB PRO 85 42.163 21.333 27.986 1.00 0.00 ATOM 692 CG PRO 85 43.264 21.387 26.974 1.00 0.00 ATOM 693 CD PRO 85 42.538 21.825 25.719 1.00 0.00 ATOM 694 O PRO 85 41.218 24.081 29.561 1.00 0.00 ATOM 695 C PRO 85 41.829 23.791 28.545 1.00 0.00 ATOM 696 N LEU 86 42.861 24.490 28.085 1.00 0.00 ATOM 697 CA LEU 86 43.407 25.652 28.812 1.00 0.00 ATOM 698 CB LEU 86 44.691 26.146 28.134 1.00 0.00 ATOM 699 CG LEU 86 45.889 25.194 28.236 1.00 0.00 ATOM 700 CD1 LEU 86 47.042 25.712 27.388 1.00 0.00 ATOM 701 CD2 LEU 86 46.309 25.058 29.692 1.00 0.00 ATOM 702 O LEU 86 42.414 27.562 29.899 1.00 0.00 ATOM 703 C LEU 86 42.428 26.830 28.918 1.00 0.00 ATOM 704 N LEU 87 41.567 26.973 27.919 1.00 0.00 ATOM 705 CA LEU 87 40.538 28.031 27.924 1.00 0.00 ATOM 706 CB LEU 87 40.144 28.397 26.488 1.00 0.00 ATOM 707 CG LEU 87 41.300 28.850 25.587 1.00 0.00 ATOM 708 CD1 LEU 87 40.766 29.284 24.230 1.00 0.00 ATOM 709 CD2 LEU 87 42.054 29.987 26.259 1.00 0.00 ATOM 710 O LEU 87 38.423 28.448 28.967 1.00 0.00 ATOM 711 C LEU 87 39.309 27.632 28.732 1.00 0.00 ATOM 712 N ALA 88 39.224 26.339 29.143 1.00 0.00 ATOM 713 CA ALA 88 38.087 25.829 29.904 1.00 0.00 ATOM 714 CB ALA 88 38.323 24.444 30.409 1.00 0.00 ATOM 715 O ALA 88 36.756 26.783 31.668 1.00 0.00 ATOM 716 C ALA 88 37.875 26.614 31.200 1.00 0.00 ATOM 717 N ASP 89 38.988 26.969 31.835 1.00 0.00 ATOM 718 CA ASP 89 38.927 27.826 33.019 1.00 0.00 ATOM 719 CB ASP 89 40.331 28.062 33.584 1.00 0.00 ATOM 720 CG ASP 89 40.356 28.811 34.909 1.00 0.00 ATOM 721 OD1 ASP 89 39.315 29.231 35.353 1.00 0.00 ATOM 722 OD2 ASP 89 41.386 28.823 35.542 1.00 0.00 ATOM 723 O ASP 89 38.558 29.642 31.510 1.00 0.00 ATOM 724 C ASP 89 38.230 29.128 32.591 1.00 0.00 ATOM 725 N PRO 90 37.129 29.527 33.275 1.00 0.00 ATOM 726 CA PRO 90 36.410 30.730 32.860 1.00 0.00 ATOM 727 CB PRO 90 35.326 30.867 33.950 1.00 0.00 ATOM 728 CG PRO 90 35.052 29.416 34.344 1.00 0.00 ATOM 729 CD PRO 90 36.432 28.809 34.375 1.00 0.00 ATOM 730 O PRO 90 37.166 32.661 31.713 1.00 0.00 ATOM 731 C PRO 90 37.301 31.933 32.706 1.00 0.00 ATOM 732 N LYS 91 38.181 32.174 33.654 1.00 0.00 ATOM 733 CA LYS 91 39.086 33.348 33.572 1.00 0.00 ATOM 734 CB LYS 91 39.983 33.419 34.807 1.00 0.00 ATOM 735 CG LYS 91 40.898 34.635 34.851 1.00 0.00 ATOM 736 CD LYS 91 41.700 34.679 36.145 1.00 0.00 ATOM 737 CE LYS 91 42.641 35.874 36.175 1.00 0.00 ATOM 738 NZ LYS 91 43.450 35.913 37.423 1.00 0.00 ATOM 739 O LYS 91 40.031 34.276 31.573 1.00 0.00 ATOM 740 C LYS 91 39.930 33.283 32.299 1.00 0.00 ATOM 741 N GLU 92 40.526 32.120 32.021 1.00 0.00 ATOM 742 CA GLU 92 41.347 31.965 30.817 1.00 0.00 ATOM 743 CB GLU 92 42.045 30.604 30.860 1.00 0.00 ATOM 744 CG GLU 92 43.146 30.495 31.903 1.00 0.00 ATOM 745 CD GLU 92 44.217 31.525 31.681 1.00 0.00 ATOM 746 OE1 GLU 92 44.716 31.607 30.585 1.00 0.00 ATOM 747 OE2 GLU 92 44.455 32.306 32.571 1.00 0.00 ATOM 748 O GLU 92 40.928 32.742 28.583 1.00 0.00 ATOM 749 C GLU 92 40.508 32.106 29.548 1.00 0.00 ATOM 750 N ILE 93 39.290 31.574 29.558 1.00 0.00 ATOM 751 CA ILE 93 38.428 31.663 28.384 1.00 0.00 ATOM 752 CB ILE 93 37.090 30.886 28.472 1.00 0.00 ATOM 753 CG1 ILE 93 36.532 30.755 27.056 1.00 0.00 ATOM 754 CG2 ILE 93 36.020 31.490 29.394 1.00 0.00 ATOM 755 CD1 ILE 93 35.290 29.860 26.930 1.00 0.00 ATOM 756 O ILE 93 38.076 33.528 26.918 1.00 0.00 ATOM 757 C ILE 93 38.048 33.110 28.077 1.00 0.00 ATOM 758 N ARG 94 37.703 33.886 29.098 1.00 0.00 ATOM 759 CA ARG 94 37.354 35.289 28.898 1.00 0.00 ATOM 760 CB ARG 94 36.978 35.975 30.152 1.00 0.00 ATOM 761 CG ARG 94 35.534 35.674 30.513 1.00 0.00 ATOM 762 CD ARG 94 35.195 36.021 31.946 1.00 0.00 ATOM 763 NE ARG 94 33.764 35.850 32.186 1.00 0.00 ATOM 764 CZ ARG 94 33.213 35.716 33.387 1.00 0.00 ATOM 765 NH1 ARG 94 33.971 35.726 34.481 1.00 0.00 ATOM 766 NH2 ARG 94 31.900 35.570 33.492 1.00 0.00 ATOM 767 O ARG 94 38.380 36.774 27.310 1.00 0.00 ATOM 768 C ARG 94 38.535 36.058 28.291 1.00 0.00 ATOM 769 N ARG 95 39.735 35.724 28.774 1.00 0.00 ATOM 770 CA ARG 95 40.958 36.378 28.308 1.00 0.00 ATOM 771 CB ARG 95 42.142 36.012 29.225 1.00 0.00 ATOM 772 CG ARG 95 42.078 36.565 30.651 1.00 0.00 ATOM 773 CD ARG 95 41.643 38.026 30.655 1.00 0.00 ATOM 774 NE ARG 95 42.323 38.797 29.621 1.00 0.00 ATOM 775 CZ ARG 95 41.818 39.886 29.052 1.00 0.00 ATOM 776 NH1 ARG 95 40.624 40.340 29.422 1.00 0.00 ATOM 777 NH2 ARG 95 42.494 40.511 28.097 1.00 0.00 ATOM 778 O ARG 95 41.714 36.863 26.085 1.00 0.00 ATOM 779 C ARG 95 41.276 36.018 26.862 1.00 0.00 ATOM 780 N GLU 96 41.078 34.727 26.548 1.00 0.00 ATOM 781 CA GLU 96 41.519 34.236 25.257 1.00 0.00 ATOM 782 CB GLU 96 42.476 33.012 25.480 1.00 0.00 ATOM 783 CG GLU 96 43.814 33.341 26.145 1.00 0.00 ATOM 784 CD GLU 96 44.637 34.359 25.372 1.00 0.00 ATOM 785 OE1 GLU 96 44.392 34.543 24.160 1.00 0.00 ATOM 786 OE2 GLU 96 45.550 34.968 25.976 1.00 0.00 ATOM 787 O GLU 96 40.607 33.946 23.062 1.00 0.00 ATOM 788 C GLU 96 40.399 34.303 24.224 1.00 0.00 ATOM 789 N GLY 97 39.214 34.791 24.636 1.00 0.00 ATOM 790 CA GLY 97 38.101 34.899 23.706 1.00 0.00 ATOM 791 O GLY 97 36.758 33.454 22.385 1.00 0.00 ATOM 792 C GLY 97 37.416 33.573 23.450 1.00 0.00 TER END