PFRMAT TS TARGET T0309 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 8 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 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 T0309 is an ORFan---we found no similar sequences in NR, even with our METHOD most-sensitive iterated searches. This makes all of our predictions METHOD methods (neural nets, HMMs, ...) much less accurate, as we have no METHOD signal from evolutionary sampling of the fold. METHOD METHOD Our first model had a serious flaw---it included the HIS tag in a sheet. METHOD Under the assumption that the structure is formed without the HIS tag, METHOD we made two subdomain predictions M1-E63 and M1-G66. HIS tags were METHOD pasted onto the automatically generated subdomain models, and the METHOD resulting chimeras optimized. Closing the gaps was a bit hard, as the METHOD subdomain models had not necessarily left the C-terminus on the surface. METHOD We also tried taking the sheet from one of the optimizations, and METHOD adding the HIS tag from one of the others. METHOD METHOD history to keep track of where models came from: METHOD METHOD M1-G66 -> chimera1-> try2 METHOD M1-G66 -> chimera2 -> try3 METHOD M1-E63 -> chimera3 -> try4, try5 METHOD try4 -> chimera4 -> try6 -> try7 METHOD METHOD try5-opt.gromacs0 -> try8-opt2.gromacs0 -> try9-opt1.gromacs0.repack-nonPC -> try10 METHOD METHOD None of the HIS tags are very convincing, but HIS tags are often METHOD disordered, so there is not much point in trying to optimize the METHOD prediction of their structure. METHOD METHOD Model 1 is try10-opt2 which twice had pieces from other optimizations METHOD stuck onto the M1-E63 base model. It scores best with our cost METHOD functions. METHOD METHOD Model 2 is try7-opt2, optimized from chimera4 METHOD METHOD Model 3 is try3-opt2, which uses a different alignment of the strands. METHOD METHOD Model 4 is try4-opt2, yet another optimization of from chimera3. It is METHOD the base model which had N- and C-termini replaced to make METHOD chimera4, which was optimized to form our best-scoring model. METHOD METHOD Model 5 is try2-opt2, which is an optimization of chimera1, based on METHOD the same underlying model as try3-opt2 (model 3), but with METHOD different HIS tag attached. METHOD METHOD METHOD REMARK 6 REMARK 6 T0309 model 1 Tue Jul 4 17:25:41 2006 MODEL 1 PARENT 1wmh_B 1y96_B 1ght_A 1d2p_A 1gdt_A REMARK 7 REMARK 7 ALLPARENTS 1wmh_B 1y96_B 1ght_A 1d2p_A 1gdt_A ATOM 1 N MET 1 43.156 11.137 24.161 1.00 0.00 ATOM 2 CA MET 1 42.723 12.107 25.161 1.00 0.00 ATOM 3 CB MET 1 41.993 11.284 26.210 1.00 0.00 ATOM 4 CG MET 1 41.386 12.097 27.348 1.00 0.00 ATOM 5 SD MET 1 40.697 13.728 26.912 1.00 0.00 ATOM 6 CE MET 1 39.251 13.271 26.010 1.00 0.00 ATOM 7 O MET 1 45.074 12.330 25.469 1.00 0.00 ATOM 8 C MET 1 43.982 12.860 25.608 1.00 0.00 ATOM 9 N ALA 2 43.796 14.159 25.756 1.00 0.00 ATOM 10 CA ALA 2 44.874 15.086 26.164 1.00 0.00 ATOM 11 CB ALA 2 45.343 15.876 24.936 1.00 0.00 ATOM 12 O ALA 2 43.121 16.295 27.187 1.00 0.00 ATOM 13 C ALA 2 44.328 16.079 27.201 1.00 0.00 ATOM 14 N SER 3 45.204 16.864 27.827 1.00 0.00 ATOM 15 CA SER 3 44.777 17.968 28.719 1.00 0.00 ATOM 16 CB SER 3 45.989 18.699 29.262 1.00 0.00 ATOM 17 OG SER 3 46.763 17.885 30.099 1.00 0.00 ATOM 18 O SER 3 42.824 19.336 28.446 1.00 0.00 ATOM 19 C SER 3 43.860 18.906 27.940 1.00 0.00 ATOM 20 N LYS 4 44.208 19.178 26.652 1.00 0.00 ATOM 21 CA LYS 4 43.414 20.052 25.794 1.00 0.00 ATOM 22 CB LYS 4 44.150 20.374 24.490 1.00 0.00 ATOM 23 CG LYS 4 45.175 21.486 24.615 1.00 0.00 ATOM 24 CD LYS 4 46.343 21.094 25.512 1.00 0.00 ATOM 25 CE LYS 4 47.230 22.299 25.805 1.00 0.00 ATOM 26 NZ LYS 4 47.724 22.950 24.553 1.00 0.00 ATOM 27 O LYS 4 41.021 20.086 25.586 1.00 0.00 ATOM 28 C LYS 4 42.055 19.425 25.491 1.00 0.00 ATOM 29 N LYS 5 42.049 18.156 25.169 1.00 0.00 ATOM 30 CA LYS 5 40.807 17.461 24.858 1.00 0.00 ATOM 31 CB LYS 5 41.186 16.116 24.237 1.00 0.00 ATOM 32 CG LYS 5 41.780 16.211 22.838 1.00 0.00 ATOM 33 CD LYS 5 42.134 14.838 22.292 1.00 0.00 ATOM 34 CE LYS 5 42.734 14.934 20.896 1.00 0.00 ATOM 35 NZ LYS 5 43.115 13.599 20.360 1.00 0.00 ATOM 36 O LYS 5 38.710 17.082 25.956 1.00 0.00 ATOM 37 C LYS 5 39.925 17.216 26.074 1.00 0.00 ATOM 38 N VAL 6 40.543 17.080 27.279 1.00 0.00 ATOM 39 CA VAL 6 39.810 16.844 28.518 1.00 0.00 ATOM 40 CB VAL 6 40.808 16.704 29.695 1.00 0.00 ATOM 41 CG1 VAL 6 40.055 16.691 31.023 1.00 0.00 ATOM 42 CG2 VAL 6 41.626 15.427 29.530 1.00 0.00 ATOM 43 O VAL 6 37.657 17.633 29.215 1.00 0.00 ATOM 44 C VAL 6 38.761 17.926 28.759 1.00 0.00 ATOM 45 N HIS 7 39.102 19.192 28.483 1.00 0.00 ATOM 46 CA HIS 7 38.185 20.303 28.716 1.00 0.00 ATOM 47 CB HIS 7 38.904 21.445 29.439 1.00 0.00 ATOM 48 CG HIS 7 39.391 21.080 30.807 1.00 0.00 ATOM 49 CD2 HIS 7 40.635 20.812 31.269 1.00 0.00 ATOM 50 ND1 HIS 7 38.544 20.957 31.889 1.00 0.00 ATOM 51 CE1 HIS 7 39.248 20.629 32.959 1.00 0.00 ATOM 52 NE2 HIS 7 40.518 20.535 32.610 1.00 0.00 ATOM 53 O HIS 7 37.108 22.003 27.394 1.00 0.00 ATOM 54 C HIS 7 37.564 20.855 27.432 1.00 0.00 ATOM 55 N GLN 8 37.619 20.058 26.369 1.00 0.00 ATOM 56 CA GLN 8 37.124 20.510 25.061 1.00 0.00 ATOM 57 CB GLN 8 38.283 20.656 24.070 1.00 0.00 ATOM 58 CG GLN 8 39.151 21.881 24.302 1.00 0.00 ATOM 59 CD GLN 8 40.273 21.996 23.289 1.00 0.00 ATOM 60 OE1 GLN 8 40.453 21.120 22.437 1.00 0.00 ATOM 61 NE2 GLN 8 41.041 23.076 23.376 1.00 0.00 ATOM 62 O GLN 8 36.242 18.304 24.609 1.00 0.00 ATOM 63 C GLN 8 36.106 19.523 24.482 1.00 0.00 ATOM 64 N ILE 9 35.120 20.095 23.818 1.00 0.00 ATOM 65 CA ILE 9 34.024 19.349 23.192 1.00 0.00 ATOM 66 CB ILE 9 32.681 20.053 23.427 1.00 0.00 ATOM 67 CG1 ILE 9 32.400 20.169 24.922 1.00 0.00 ATOM 68 CG2 ILE 9 31.576 19.272 22.733 1.00 0.00 ATOM 69 CD1 ILE 9 31.069 20.828 25.262 1.00 0.00 ATOM 70 O ILE 9 34.379 20.373 21.073 1.00 0.00 ATOM 71 C ILE 9 34.318 19.302 21.696 1.00 0.00 ATOM 72 N ASN 10 34.613 18.134 21.229 1.00 0.00 ATOM 73 CA ASN 10 34.955 18.015 19.798 1.00 0.00 ATOM 74 CB ASN 10 35.756 16.751 19.696 1.00 0.00 ATOM 75 CG ASN 10 36.105 16.543 18.231 1.00 0.00 ATOM 76 ND2 ASN 10 36.869 15.491 17.951 1.00 0.00 ATOM 77 OD1 ASN 10 35.700 17.318 17.366 1.00 0.00 ATOM 78 O ASN 10 33.161 16.529 19.334 1.00 0.00 ATOM 79 C ASN 10 33.716 17.587 19.056 1.00 0.00 ATOM 80 N VAL 11 33.314 18.393 18.080 1.00 0.00 ATOM 81 CA VAL 11 32.058 18.160 17.389 1.00 0.00 ATOM 82 CB VAL 11 31.024 19.286 17.570 1.00 0.00 ATOM 83 CG1 VAL 11 29.713 18.920 16.891 1.00 0.00 ATOM 84 CG2 VAL 11 30.795 19.568 19.047 1.00 0.00 ATOM 85 O VAL 11 32.668 18.835 15.190 1.00 0.00 ATOM 86 C VAL 11 32.182 17.950 15.897 1.00 0.00 ATOM 87 N LYS 12 31.556 16.856 15.441 1.00 0.00 ATOM 88 CA LYS 12 31.488 16.469 14.037 1.00 0.00 ATOM 89 CB LYS 12 32.133 15.108 13.878 1.00 0.00 ATOM 90 CG LYS 12 32.058 14.661 12.434 1.00 0.00 ATOM 91 CD LYS 12 32.859 13.426 12.077 1.00 0.00 ATOM 92 CE LYS 12 34.351 13.571 12.349 1.00 0.00 ATOM 93 NZ LYS 12 35.034 12.315 11.894 1.00 0.00 ATOM 94 O LYS 12 29.239 15.788 14.560 1.00 0.00 ATOM 95 C LYS 12 29.976 16.369 13.763 1.00 0.00 ATOM 96 N GLY 13 29.533 17.316 12.953 1.00 0.00 ATOM 97 CA GLY 13 28.107 17.533 12.656 1.00 0.00 ATOM 98 O GLY 13 28.532 17.751 10.316 1.00 0.00 ATOM 99 C GLY 13 27.807 17.292 11.188 1.00 0.00 ATOM 100 N PHE 14 26.765 16.504 10.976 1.00 0.00 ATOM 101 CA PHE 14 26.280 16.134 9.626 1.00 0.00 ATOM 102 CB PHE 14 26.125 14.617 9.498 1.00 0.00 ATOM 103 CG PHE 14 27.427 13.870 9.536 1.00 0.00 ATOM 104 CD1 PHE 14 27.948 13.414 10.738 1.00 0.00 ATOM 105 CD2 PHE 14 28.135 13.621 8.369 1.00 0.00 ATOM 106 CE1 PHE 14 29.145 12.725 10.772 1.00 0.00 ATOM 107 CE2 PHE 14 29.333 12.934 8.400 1.00 0.00 ATOM 108 CZ PHE 14 29.838 12.485 9.604 1.00 0.00 ATOM 109 O PHE 14 23.944 16.652 10.114 1.00 0.00 ATOM 110 C PHE 14 24.960 16.836 9.404 1.00 0.00 ATOM 111 N PHE 15 24.890 17.610 8.309 1.00 0.00 ATOM 112 CA PHE 15 23.678 18.294 7.881 1.00 0.00 ATOM 113 CB PHE 15 23.587 19.802 8.077 1.00 0.00 ATOM 114 CG PHE 15 24.886 20.456 8.492 1.00 0.00 ATOM 115 CD1 PHE 15 25.658 21.040 7.502 1.00 0.00 ATOM 116 CD2 PHE 15 25.260 20.515 9.823 1.00 0.00 ATOM 117 CE1 PHE 15 26.824 21.700 7.856 1.00 0.00 ATOM 118 CE2 PHE 15 26.407 21.177 10.164 1.00 0.00 ATOM 119 CZ PHE 15 27.179 21.771 9.184 1.00 0.00 ATOM 120 O PHE 15 24.119 18.565 5.538 1.00 0.00 ATOM 121 C PHE 15 23.446 18.017 6.405 1.00 0.00 ATOM 122 N ASP 16 22.494 17.127 6.211 1.00 0.00 ATOM 123 CA ASP 16 22.136 16.573 4.887 1.00 0.00 ATOM 124 CB ASP 16 21.786 17.699 3.911 1.00 0.00 ATOM 125 CG ASP 16 20.506 18.449 4.249 1.00 0.00 ATOM 126 OD1 ASP 16 19.492 17.811 4.409 1.00 0.00 ATOM 127 OD2 ASP 16 20.580 19.628 4.497 1.00 0.00 ATOM 128 O ASP 16 23.758 14.800 5.080 1.00 0.00 ATOM 129 C ASP 16 23.340 15.734 4.402 1.00 0.00 ATOM 130 N MET 17 24.056 16.247 3.404 1.00 0.00 ATOM 131 CA MET 17 25.234 15.628 2.768 1.00 0.00 ATOM 132 CB MET 17 25.182 15.830 1.256 1.00 0.00 ATOM 133 CG MET 17 23.997 15.163 0.571 1.00 0.00 ATOM 134 SD MET 17 23.971 13.376 0.816 1.00 0.00 ATOM 135 CE MET 17 25.416 12.883 -0.117 1.00 0.00 ATOM 136 O MET 17 27.602 15.859 2.805 1.00 0.00 ATOM 137 C MET 17 26.521 16.279 3.225 1.00 0.00 ATOM 138 N ASP 18 26.495 17.377 4.022 1.00 0.00 ATOM 139 CA ASP 18 27.715 18.020 4.487 1.00 0.00 ATOM 140 CB ASP 18 27.539 19.543 4.547 1.00 0.00 ATOM 141 CG ASP 18 27.294 20.151 3.177 1.00 0.00 ATOM 142 OD1 ASP 18 28.099 19.886 2.257 1.00 0.00 ATOM 143 OD2 ASP 18 26.302 20.894 3.019 1.00 0.00 ATOM 144 O ASP 18 27.230 17.370 6.769 1.00 0.00 ATOM 145 C ASP 18 28.068 17.679 5.925 1.00 0.00 ATOM 146 N VAL 19 29.372 17.707 6.147 1.00 0.00 ATOM 147 CA VAL 19 29.921 17.539 7.499 1.00 0.00 ATOM 148 CB VAL 19 30.796 16.277 7.597 1.00 0.00 ATOM 149 CG1 VAL 19 31.956 16.354 6.615 1.00 0.00 ATOM 150 CG2 VAL 19 31.315 16.095 9.016 1.00 0.00 ATOM 151 O VAL 19 31.498 19.333 7.074 1.00 0.00 ATOM 152 C VAL 19 30.740 18.777 7.876 1.00 0.00 ATOM 153 N MET 20 30.554 19.178 9.115 1.00 0.00 ATOM 154 CA MET 20 31.318 20.268 9.731 1.00 0.00 ATOM 155 CB MET 20 30.408 21.467 9.991 1.00 0.00 ATOM 156 CG MET 20 31.090 22.632 10.696 1.00 0.00 ATOM 157 SD MET 20 30.014 24.070 10.861 1.00 0.00 ATOM 158 CE MET 20 28.846 23.481 12.084 1.00 0.00 ATOM 159 O MET 20 31.334 19.131 11.849 1.00 0.00 ATOM 160 C MET 20 31.989 19.787 11.021 1.00 0.00 ATOM 161 N GLU 21 33.243 20.164 11.170 1.00 0.00 ATOM 162 CA GLU 21 33.986 19.849 12.375 1.00 0.00 ATOM 163 CB GLU 21 35.088 18.859 11.994 1.00 0.00 ATOM 164 CG GLU 21 35.954 18.402 13.160 1.00 0.00 ATOM 165 CD GLU 21 36.964 17.379 12.722 1.00 0.00 ATOM 166 OE1 GLU 21 37.039 17.110 11.548 1.00 0.00 ATOM 167 OE2 GLU 21 37.741 16.950 13.544 1.00 0.00 ATOM 168 O GLU 21 35.235 21.923 12.460 1.00 0.00 ATOM 169 C GLU 21 34.522 21.111 13.082 1.00 0.00 ATOM 170 N VAL 22 34.276 21.165 14.389 1.00 0.00 ATOM 171 CA VAL 22 34.670 22.320 15.191 1.00 0.00 ATOM 172 CB VAL 22 33.627 23.452 15.214 1.00 0.00 ATOM 173 CG1 VAL 22 33.456 24.047 13.823 1.00 0.00 ATOM 174 CG2 VAL 22 32.294 22.938 15.739 1.00 0.00 ATOM 175 O VAL 22 34.702 20.659 16.947 1.00 0.00 ATOM 176 C VAL 22 34.940 21.823 16.618 1.00 0.00 ATOM 177 N THR 23 35.568 22.657 17.391 1.00 0.00 ATOM 178 CA THR 23 35.835 22.372 18.804 1.00 0.00 ATOM 179 CB THR 23 37.207 21.703 19.011 1.00 0.00 ATOM 180 CG2 THR 23 37.430 21.386 20.483 1.00 0.00 ATOM 181 OG1 THR 23 37.269 20.488 18.252 1.00 0.00 ATOM 182 O THR 23 36.277 24.702 19.402 1.00 0.00 ATOM 183 C THR 23 35.709 23.644 19.658 1.00 0.00 ATOM 184 N GLU 24 35.165 23.422 20.846 1.00 0.00 ATOM 185 CA GLU 24 34.980 24.505 21.829 1.00 0.00 ATOM 186 CB GLU 24 33.589 25.135 21.749 1.00 0.00 ATOM 187 CG GLU 24 33.291 25.838 20.432 1.00 0.00 ATOM 188 CD GLU 24 31.915 26.446 20.436 1.00 0.00 ATOM 189 OE1 GLU 24 31.218 26.286 21.409 1.00 0.00 ATOM 190 OE2 GLU 24 31.603 27.162 19.515 1.00 0.00 ATOM 191 O GLU 24 34.836 22.860 23.578 1.00 0.00 ATOM 192 C GLU 24 35.218 23.973 23.228 1.00 0.00 ATOM 193 N GLN 25 35.806 24.838 24.027 1.00 0.00 ATOM 194 CA GLN 25 36.032 24.525 25.443 1.00 0.00 ATOM 195 CB GLN 25 36.771 25.675 26.135 1.00 0.00 ATOM 196 CG GLN 25 37.139 25.395 27.582 1.00 0.00 ATOM 197 CD GLN 25 37.974 26.506 28.191 1.00 0.00 ATOM 198 OE1 GLN 25 38.264 27.513 27.538 1.00 0.00 ATOM 199 NE2 GLN 25 38.366 26.328 29.447 1.00 0.00 ATOM 200 O GLN 25 33.689 24.973 25.882 1.00 0.00 ATOM 201 C GLN 25 34.669 24.257 26.093 1.00 0.00 ATOM 202 N THR 26 34.663 23.176 26.849 1.00 0.00 ATOM 203 CA THR 26 33.461 22.715 27.591 1.00 0.00 ATOM 204 CB THR 26 33.750 21.433 28.394 1.00 0.00 ATOM 205 CG2 THR 26 32.521 21.012 29.184 1.00 0.00 ATOM 206 OG1 THR 26 34.122 20.378 27.497 1.00 0.00 ATOM 207 O THR 26 31.810 24.130 28.624 1.00 0.00 ATOM 208 C THR 26 32.982 23.796 28.554 1.00 0.00 ATOM 209 N LYS 27 33.975 24.446 29.145 1.00 0.00 ATOM 210 CA LYS 27 33.765 25.559 30.086 1.00 0.00 ATOM 211 CB LYS 27 35.114 25.543 31.010 1.00 0.00 ATOM 212 CG LYS 27 35.257 24.228 31.782 1.00 0.00 ATOM 213 CD LYS 27 36.187 24.275 33.039 1.00 0.00 ATOM 214 CE LYS 27 37.548 24.895 32.777 1.00 0.00 ATOM 215 NZ LYS 27 38.621 24.173 33.575 1.00 0.00 ATOM 216 O LYS 27 32.723 27.714 30.095 1.00 0.00 ATOM 217 C LYS 27 33.222 26.817 29.418 1.00 0.00 ATOM 218 N GLU 28 33.432 26.923 28.087 1.00 0.00 ATOM 219 CA GLU 28 32.952 28.098 27.368 1.00 0.00 ATOM 220 CB GLU 28 34.055 28.467 26.300 1.00 0.00 ATOM 221 CG GLU 28 35.343 29.037 26.882 1.00 0.00 ATOM 222 CD GLU 28 36.283 29.565 25.806 1.00 0.00 ATOM 223 OE1 GLU 28 35.808 29.806 24.672 1.00 0.00 ATOM 224 OE2 GLU 28 37.486 29.750 26.094 1.00 0.00 ATOM 225 O GLU 28 30.909 28.823 26.357 1.00 0.00 ATOM 226 C GLU 28 31.502 27.918 26.943 1.00 0.00 ATOM 227 N ALA 29 30.883 26.724 27.225 1.00 0.00 ATOM 228 CA ALA 29 29.497 26.459 26.859 1.00 0.00 ATOM 229 CB ALA 29 29.162 24.983 27.136 1.00 0.00 ATOM 230 O ALA 29 28.313 26.987 28.882 1.00 0.00 ATOM 231 C ALA 29 28.517 27.285 27.705 1.00 0.00 ATOM 232 N GLU 30 27.735 28.093 27.001 1.00 0.00 ATOM 233 CA GLU 30 26.703 28.939 27.638 1.00 0.00 ATOM 234 CB GLU 30 26.317 30.086 26.702 1.00 0.00 ATOM 235 CG GLU 30 27.437 31.079 26.427 1.00 0.00 ATOM 236 CD GLU 30 27.916 31.728 27.696 1.00 0.00 ATOM 237 OE1 GLU 30 27.100 32.246 28.421 1.00 0.00 ATOM 238 OE2 GLU 30 29.080 31.610 27.998 1.00 0.00 ATOM 239 O GLU 30 25.234 27.829 29.191 1.00 0.00 ATOM 240 C GLU 30 25.466 28.113 28.013 1.00 0.00 ATOM 241 N TYR 31 24.928 27.412 27.001 1.00 0.00 ATOM 242 CA TYR 31 23.775 26.490 27.167 1.00 0.00 ATOM 243 CB TYR 31 22.548 27.237 27.732 1.00 0.00 ATOM 244 CG TYR 31 22.180 28.461 26.907 1.00 0.00 ATOM 245 CD1 TYR 31 21.422 28.344 25.770 1.00 0.00 ATOM 246 CD2 TYR 31 22.642 29.710 27.273 1.00 0.00 ATOM 247 CE1 TYR 31 21.124 29.465 25.020 1.00 0.00 ATOM 248 CE2 TYR 31 22.313 30.819 26.530 1.00 0.00 ATOM 249 CZ TYR 31 21.534 30.710 25.403 1.00 0.00 ATOM 250 OH TYR 31 20.839 31.769 24.924 1.00 0.00 ATOM 251 O TYR 31 24.104 25.794 24.870 1.00 0.00 ATOM 252 C TYR 31 23.423 25.722 25.888 1.00 0.00 ATOM 253 N THR 32 22.296 25.015 25.947 1.00 0.00 ATOM 254 CA THR 32 21.782 24.189 24.831 1.00 0.00 ATOM 255 CB THR 32 20.544 23.374 25.252 1.00 0.00 ATOM 256 CG2 THR 32 19.999 22.584 24.072 1.00 0.00 ATOM 257 OG1 THR 32 20.901 22.470 26.306 1.00 0.00 ATOM 258 O THR 32 21.751 24.621 22.470 1.00 0.00 ATOM 259 C THR 32 21.407 24.997 23.599 1.00 0.00 ATOM 260 N TYR 33 20.635 26.058 23.753 1.00 0.00 ATOM 261 CA TYR 33 20.192 26.870 22.628 1.00 0.00 ATOM 262 CB TYR 33 19.122 27.835 23.021 1.00 0.00 ATOM 263 CG TYR 33 17.879 27.146 23.554 1.00 0.00 ATOM 264 CD1 TYR 33 17.779 26.786 24.899 1.00 0.00 ATOM 265 CD2 TYR 33 16.819 26.827 22.710 1.00 0.00 ATOM 266 CE1 TYR 33 16.658 26.124 25.387 1.00 0.00 ATOM 267 CE2 TYR 33 15.692 26.164 23.189 1.00 0.00 ATOM 268 CZ TYR 33 15.620 25.814 24.526 1.00 0.00 ATOM 269 OH TYR 33 14.520 25.140 24.996 1.00 0.00 ATOM 270 O TYR 33 21.473 27.498 20.714 1.00 0.00 ATOM 271 C TYR 33 21.389 27.554 21.938 1.00 0.00 ATOM 272 N ASP 34 22.380 27.999 22.696 1.00 0.00 ATOM 273 CA ASP 34 23.595 28.589 22.093 1.00 0.00 ATOM 274 CB ASP 34 24.447 29.272 23.165 1.00 0.00 ATOM 275 CG ASP 34 25.633 30.056 22.621 1.00 0.00 ATOM 276 OD1 ASP 34 25.418 30.983 21.877 1.00 0.00 ATOM 277 OD2 ASP 34 26.730 29.825 23.073 1.00 0.00 ATOM 278 O ASP 34 24.893 27.800 20.254 1.00 0.00 ATOM 279 C ASP 34 24.398 27.533 21.353 1.00 0.00 ATOM 280 N PHE 35 24.546 26.332 21.934 1.00 0.00 ATOM 281 CA PHE 35 25.217 25.221 21.262 1.00 0.00 ATOM 282 CB PHE 35 25.370 24.055 22.241 1.00 0.00 ATOM 283 CG PHE 35 26.752 24.022 22.882 1.00 0.00 ATOM 284 CD1 PHE 35 27.410 25.193 23.216 1.00 0.00 ATOM 285 CD2 PHE 35 27.350 22.786 23.140 1.00 0.00 ATOM 286 CE1 PHE 35 28.655 25.137 23.806 1.00 0.00 ATOM 287 CE2 PHE 35 28.595 22.738 23.742 1.00 0.00 ATOM 288 CZ PHE 35 29.252 23.909 24.074 1.00 0.00 ATOM 289 O PHE 35 25.114 24.657 18.959 1.00 0.00 ATOM 290 C PHE 35 24.487 24.855 19.989 1.00 0.00 ATOM 291 N LYS 36 23.166 24.722 20.051 1.00 0.00 ATOM 292 CA LYS 36 22.414 24.320 18.869 1.00 0.00 ATOM 293 CB LYS 36 20.933 24.253 19.289 1.00 0.00 ATOM 294 CG LYS 36 20.175 25.567 19.097 1.00 0.00 ATOM 295 CD LYS 36 18.677 25.453 19.210 1.00 0.00 ATOM 296 CE LYS 36 18.172 26.883 19.217 1.00 0.00 ATOM 297 NZ LYS 36 16.737 26.769 19.002 1.00 0.00 ATOM 298 O LYS 36 22.809 24.949 16.588 1.00 0.00 ATOM 299 C LYS 36 22.658 25.325 17.751 1.00 0.00 ATOM 300 N GLU 37 22.743 26.627 18.099 1.00 0.00 ATOM 301 CA GLU 37 22.985 27.675 17.118 1.00 0.00 ATOM 302 CB GLU 37 22.781 29.031 17.797 1.00 0.00 ATOM 303 CG GLU 37 21.337 29.336 18.171 1.00 0.00 ATOM 304 CD GLU 37 21.232 30.621 18.943 1.00 0.00 ATOM 305 OE1 GLU 37 22.251 31.203 19.233 1.00 0.00 ATOM 306 OE2 GLU 37 20.134 31.081 19.148 1.00 0.00 ATOM 307 O GLU 37 24.510 27.628 15.301 1.00 0.00 ATOM 308 C GLU 37 24.369 27.552 16.544 1.00 0.00 ATOM 309 N ILE 38 25.386 27.296 17.365 1.00 0.00 ATOM 310 CA ILE 38 26.773 27.092 16.837 1.00 0.00 ATOM 311 CB ILE 38 27.761 26.915 18.024 1.00 0.00 ATOM 312 CG1 ILE 38 27.900 28.247 18.779 1.00 0.00 ATOM 313 CG2 ILE 38 29.141 26.409 17.560 1.00 0.00 ATOM 314 CD1 ILE 38 28.573 28.130 20.151 1.00 0.00 ATOM 315 O ILE 38 27.484 25.864 14.846 1.00 0.00 ATOM 316 C ILE 38 26.834 25.878 15.886 1.00 0.00 ATOM 317 N LEU 39 26.087 24.851 16.252 1.00 0.00 ATOM 318 CA LEU 39 26.089 23.603 15.472 1.00 0.00 ATOM 319 CB LEU 39 25.928 22.391 16.485 1.00 0.00 ATOM 320 CG LEU 39 27.063 22.118 17.468 1.00 0.00 ATOM 321 CD1 LEU 39 26.666 21.043 18.437 1.00 0.00 ATOM 322 CD2 LEU 39 28.309 21.755 16.737 1.00 0.00 ATOM 323 O LEU 39 25.327 22.825 13.329 1.00 0.00 ATOM 324 C LEU 39 25.197 23.645 14.237 1.00 0.00 ATOM 325 N SER 40 24.444 24.642 14.109 1.00 0.00 ATOM 326 CA SER 40 23.509 24.809 13.000 1.00 0.00 ATOM 327 CB SER 40 22.145 24.176 13.186 1.00 0.00 ATOM 328 OG SER 40 22.221 22.780 13.287 1.00 0.00 ATOM 329 O SER 40 22.283 26.893 12.583 1.00 0.00 ATOM 330 C SER 40 23.351 26.284 12.654 1.00 0.00 ATOM 331 N GLU 41 24.514 26.749 12.283 1.00 0.00 ATOM 332 CA GLU 41 24.687 28.002 11.514 1.00 0.00 ATOM 333 CB GLU 41 26.173 28.314 11.336 1.00 0.00 ATOM 334 CG GLU 41 26.877 28.766 12.608 1.00 0.00 ATOM 335 CD GLU 41 28.350 28.961 12.377 1.00 0.00 ATOM 336 OE1 GLU 41 28.804 28.685 11.293 1.00 0.00 ATOM 337 OE2 GLU 41 29.002 29.494 13.244 1.00 0.00 ATOM 338 O GLU 41 23.285 28.748 9.683 1.00 0.00 ATOM 339 C GLU 41 23.813 27.795 10.254 1.00 0.00 ATOM 340 N PHE 42 23.545 26.477 9.905 1.00 0.00 ATOM 341 CA PHE 42 22.633 26.142 8.834 1.00 0.00 ATOM 342 CB PHE 42 22.989 24.865 8.258 1.00 0.00 ATOM 343 CG PHE 42 23.856 25.224 7.091 1.00 0.00 ATOM 344 CD1 PHE 42 23.311 25.852 5.974 1.00 0.00 ATOM 345 CD2 PHE 42 25.226 24.993 7.126 1.00 0.00 ATOM 346 CE1 PHE 42 24.119 26.248 4.914 1.00 0.00 ATOM 347 CE2 PHE 42 26.043 25.384 6.069 1.00 0.00 ATOM 348 CZ PHE 42 25.485 26.015 4.960 1.00 0.00 ATOM 349 O PHE 42 20.917 24.992 10.075 1.00 0.00 ATOM 350 C PHE 42 21.273 26.037 9.523 1.00 0.00 ATOM 351 N ASN 43 20.624 27.173 9.649 1.00 0.00 ATOM 352 CA ASN 43 19.410 27.178 10.484 1.00 0.00 ATOM 353 CB ASN 43 18.767 28.529 10.251 1.00 0.00 ATOM 354 CG ASN 43 19.503 29.500 11.149 1.00 0.00 ATOM 355 ND2 ASN 43 19.870 30.648 10.590 1.00 0.00 ATOM 356 OD1 ASN 43 19.773 29.241 12.334 1.00 0.00 ATOM 357 O ASN 43 17.966 26.403 8.721 1.00 0.00 ATOM 358 C ASN 43 18.339 26.301 9.898 1.00 0.00 ATOM 359 N GLY 44 17.731 25.490 10.750 1.00 0.00 ATOM 360 CA GLY 44 16.576 24.683 10.348 1.00 0.00 ATOM 361 O GLY 44 16.123 22.484 9.548 1.00 0.00 ATOM 362 C GLY 44 16.979 23.354 9.734 1.00 0.00 ATOM 363 N LYS 45 18.286 23.194 9.438 1.00 0.00 ATOM 364 CA LYS 45 18.787 21.942 8.859 1.00 0.00 ATOM 365 CB LYS 45 20.180 22.160 8.269 1.00 0.00 ATOM 366 CG LYS 45 20.222 23.125 7.092 1.00 0.00 ATOM 367 CD LYS 45 19.478 22.563 5.889 1.00 0.00 ATOM 368 CE LYS 45 19.553 23.508 4.699 1.00 0.00 ATOM 369 NZ LYS 45 18.773 23.002 3.537 1.00 0.00 ATOM 370 O LYS 45 19.238 20.959 11.004 1.00 0.00 ATOM 371 C LYS 45 18.799 20.805 9.850 1.00 0.00 ATOM 372 N ASN 46 18.416 19.616 9.396 1.00 0.00 ATOM 373 CA ASN 46 18.409 18.475 10.280 1.00 0.00 ATOM 374 CB ASN 46 17.410 17.422 9.839 1.00 0.00 ATOM 375 CG ASN 46 17.354 16.223 10.746 1.00 0.00 ATOM 376 ND2 ASN 46 16.273 15.492 10.649 1.00 0.00 ATOM 377 OD1 ASN 46 18.310 15.923 11.470 1.00 0.00 ATOM 378 O ASN 46 20.457 17.710 9.235 1.00 0.00 ATOM 379 C ASN 46 19.816 17.887 10.266 1.00 0.00 ATOM 380 N VAL 47 20.303 17.744 11.491 1.00 0.00 ATOM 381 CA VAL 47 21.703 17.375 11.728 1.00 0.00 ATOM 382 CB VAL 47 22.528 18.579 12.221 1.00 0.00 ATOM 383 CG1 VAL 47 22.419 19.736 11.239 1.00 0.00 ATOM 384 CG2 VAL 47 22.067 19.010 13.605 1.00 0.00 ATOM 385 O VAL 47 21.092 16.059 13.653 1.00 0.00 ATOM 386 C VAL 47 21.894 16.238 12.740 1.00 0.00 ATOM 387 N SER 48 23.048 15.603 12.609 1.00 0.00 ATOM 388 CA SER 48 23.563 14.630 13.599 1.00 0.00 ATOM 389 CB SER 48 23.795 13.276 12.933 1.00 0.00 ATOM 390 OG SER 48 24.431 12.395 13.845 1.00 0.00 ATOM 391 O SER 48 25.740 15.539 13.494 1.00 0.00 ATOM 392 C SER 48 24.816 15.206 14.212 1.00 0.00 ATOM 393 N ILE 49 24.815 15.320 15.524 1.00 0.00 ATOM 394 CA ILE 49 25.863 16.017 16.267 1.00 0.00 ATOM 395 CB ILE 49 25.423 17.216 17.154 1.00 0.00 ATOM 396 CG1 ILE 49 24.590 18.223 16.357 1.00 0.00 ATOM 397 CG2 ILE 49 26.646 17.903 17.754 1.00 0.00 ATOM 398 CD1 ILE 49 25.333 18.868 15.198 1.00 0.00 ATOM 399 O ILE 49 25.937 14.445 18.032 1.00 0.00 ATOM 400 C ILE 49 26.579 15.078 17.204 1.00 0.00 ATOM 401 N THR 50 27.891 15.020 17.080 1.00 0.00 ATOM 402 CA THR 50 28.649 14.149 17.965 1.00 0.00 ATOM 403 CB THR 50 29.182 12.942 17.184 1.00 0.00 ATOM 404 CG2 THR 50 28.057 12.135 16.536 1.00 0.00 ATOM 405 OG1 THR 50 30.129 13.367 16.207 1.00 0.00 ATOM 406 O THR 50 30.459 15.741 17.909 1.00 0.00 ATOM 407 C THR 50 29.827 14.900 18.555 1.00 0.00 ATOM 408 N VAL 51 30.179 14.455 19.749 1.00 0.00 ATOM 409 CA VAL 51 31.318 15.015 20.508 1.00 0.00 ATOM 410 CB VAL 51 30.868 15.836 21.762 1.00 0.00 ATOM 411 CG1 VAL 51 29.973 16.947 21.374 1.00 0.00 ATOM 412 CG2 VAL 51 30.173 14.916 22.742 1.00 0.00 ATOM 413 O VAL 51 31.906 12.819 21.311 1.00 0.00 ATOM 414 C VAL 51 32.298 13.938 20.985 1.00 0.00 ATOM 415 N LYS 52 33.524 14.387 21.195 1.00 0.00 ATOM 416 CA LYS 52 34.588 13.529 21.739 1.00 0.00 ATOM 417 CB LYS 52 35.856 13.647 20.890 1.00 0.00 ATOM 418 CG LYS 52 36.984 12.714 21.311 1.00 0.00 ATOM 419 CD LYS 52 38.234 12.946 20.477 1.00 0.00 ATOM 420 CE LYS 52 38.056 12.430 19.057 1.00 0.00 ATOM 421 NZ LYS 52 39.326 12.484 18.281 1.00 0.00 ATOM 422 O LYS 52 35.863 14.632 23.481 1.00 0.00 ATOM 423 C LYS 52 34.954 13.853 23.180 1.00 0.00 ATOM 424 N GLU 53 34.379 13.011 24.017 1.00 0.00 ATOM 425 CA GLU 53 34.853 12.894 25.400 1.00 0.00 ATOM 426 CB GLU 53 33.662 12.912 26.361 1.00 0.00 ATOM 427 CG GLU 53 32.916 14.237 26.415 1.00 0.00 ATOM 428 CD GLU 53 31.639 14.114 27.198 1.00 0.00 ATOM 429 OE1 GLU 53 31.346 13.035 27.653 1.00 0.00 ATOM 430 OE2 GLU 53 31.012 15.119 27.435 1.00 0.00 ATOM 431 O GLU 53 35.295 10.570 25.839 1.00 0.00 ATOM 432 C GLU 53 35.624 11.588 25.223 1.00 0.00 ATOM 433 N GLU 54 36.680 11.736 24.327 1.00 0.00 ATOM 434 CA GLU 54 37.526 10.579 24.029 1.00 0.00 ATOM 435 CB GLU 54 38.302 9.832 25.116 1.00 0.00 ATOM 436 CG GLU 54 39.241 8.755 24.590 1.00 0.00 ATOM 437 CD GLU 54 40.379 9.357 23.812 1.00 0.00 ATOM 438 OE1 GLU 54 40.566 10.546 23.894 1.00 0.00 ATOM 439 OE2 GLU 54 41.130 8.613 23.227 1.00 0.00 ATOM 440 O GLU 54 36.940 9.580 21.997 1.00 0.00 ATOM 441 C GLU 54 36.746 9.564 23.198 1.00 0.00 ATOM 442 N ASN 55 35.667 9.012 23.719 1.00 0.00 ATOM 443 CA ASN 55 34.688 8.274 22.901 1.00 0.00 ATOM 444 CB ASN 55 34.023 7.168 23.700 1.00 0.00 ATOM 445 CG ASN 55 34.968 6.082 24.134 1.00 0.00 ATOM 446 ND2 ASN 55 35.016 5.857 25.423 1.00 0.00 ATOM 447 OD1 ASN 55 35.589 5.406 23.306 1.00 0.00 ATOM 448 O ASN 55 33.067 10.058 23.012 1.00 0.00 ATOM 449 C ASN 55 33.631 9.215 22.315 1.00 0.00 ATOM 450 N GLU 56 33.341 8.980 21.047 1.00 0.00 ATOM 451 CA GLU 56 32.308 9.735 20.322 1.00 0.00 ATOM 452 CB GLU 56 32.392 9.450 18.821 1.00 0.00 ATOM 453 CG GLU 56 31.448 10.288 17.968 1.00 0.00 ATOM 454 CD GLU 56 31.608 9.973 16.507 1.00 0.00 ATOM 455 OE1 GLU 56 32.458 9.180 16.180 1.00 0.00 ATOM 456 OE2 GLU 56 30.809 10.439 15.729 1.00 0.00 ATOM 457 O GLU 56 30.492 8.232 20.850 1.00 0.00 ATOM 458 C GLU 56 30.921 9.385 20.868 1.00 0.00 ATOM 459 N LEU 57 30.260 10.429 21.335 1.00 0.00 ATOM 460 CA LEU 57 28.900 10.314 21.873 1.00 0.00 ATOM 461 CB LEU 57 28.858 10.618 23.370 1.00 0.00 ATOM 462 CG LEU 57 29.573 9.663 24.330 1.00 0.00 ATOM 463 CD1 LEU 57 29.509 10.233 25.729 1.00 0.00 ATOM 464 CD2 LEU 57 28.935 8.290 24.271 1.00 0.00 ATOM 465 O LEU 57 28.351 12.386 20.818 1.00 0.00 ATOM 466 C LEU 57 27.952 11.262 21.140 1.00 0.00 ATOM 467 N PRO 58 26.690 10.828 20.975 1.00 0.00 ATOM 468 CA PRO 58 25.674 11.648 20.308 1.00 0.00 ATOM 469 CB PRO 58 24.549 10.683 19.970 1.00 0.00 ATOM 470 CG PRO 58 24.639 9.638 21.084 1.00 0.00 ATOM 471 CD PRO 58 26.131 9.514 21.361 1.00 0.00 ATOM 472 O PRO 58 24.913 12.610 22.422 1.00 0.00 ATOM 473 C PRO 58 25.208 12.770 21.230 1.00 0.00 ATOM 474 N VAL 59 25.095 13.918 20.600 1.00 0.00 ATOM 475 CA VAL 59 24.603 15.111 21.295 1.00 0.00 ATOM 476 CB VAL 59 25.499 16.327 21.047 1.00 0.00 ATOM 477 CG1 VAL 59 25.170 17.454 22.019 1.00 0.00 ATOM 478 CG2 VAL 59 26.945 15.949 21.317 1.00 0.00 ATOM 479 O VAL 59 22.817 15.996 19.945 1.00 0.00 ATOM 480 C VAL 59 23.135 15.321 20.926 1.00 0.00 ATOM 481 N LYS 60 22.256 14.644 21.697 1.00 0.00 ATOM 482 CA LYS 60 20.828 14.727 21.426 1.00 0.00 ATOM 483 CB LYS 60 20.117 13.846 22.453 1.00 0.00 ATOM 484 CG LYS 60 20.374 12.353 22.286 1.00 0.00 ATOM 485 CD LYS 60 19.636 11.543 23.340 1.00 0.00 ATOM 486 CE LYS 60 19.916 10.054 23.193 1.00 0.00 ATOM 487 NZ LYS 60 19.222 9.252 24.236 1.00 0.00 ATOM 488 O LYS 60 19.431 16.555 20.769 1.00 0.00 ATOM 489 C LYS 60 20.297 16.149 21.541 1.00 0.00 ATOM 490 N GLY 61 20.798 16.915 22.549 1.00 0.00 ATOM 491 CA GLY 61 20.364 18.285 22.762 1.00 0.00 ATOM 492 O GLY 61 19.704 19.812 21.022 1.00 0.00 ATOM 493 C GLY 61 20.617 19.143 21.533 1.00 0.00 ATOM 494 N VAL 62 21.825 19.079 21.031 1.00 0.00 ATOM 495 CA VAL 62 22.166 19.860 19.848 1.00 0.00 ATOM 496 CB VAL 62 23.655 19.872 19.561 1.00 0.00 ATOM 497 CG1 VAL 62 23.800 20.888 18.444 1.00 0.00 ATOM 498 CG2 VAL 62 24.543 20.396 20.692 1.00 0.00 ATOM 499 O VAL 62 20.941 20.266 17.796 1.00 0.00 ATOM 500 C VAL 62 21.382 19.413 18.608 1.00 0.00 ATOM 501 N GLU 63 21.250 18.113 18.448 1.00 0.00 ATOM 502 CA GLU 63 20.514 17.556 17.303 1.00 0.00 ATOM 503 CB GLU 63 20.624 16.030 17.318 1.00 0.00 ATOM 504 CG GLU 63 21.924 15.488 16.738 1.00 0.00 ATOM 505 CD GLU 63 22.007 13.995 16.885 1.00 0.00 ATOM 506 OE1 GLU 63 21.126 13.425 17.483 1.00 0.00 ATOM 507 OE2 GLU 63 22.891 13.409 16.305 1.00 0.00 ATOM 508 O GLU 63 18.376 18.077 16.260 1.00 0.00 ATOM 509 C GLU 63 19.030 17.987 17.295 1.00 0.00 ATOM 510 N MET 64 18.547 18.383 18.470 1.00 0.00 ATOM 511 CA MET 64 17.209 18.945 18.657 1.00 0.00 ATOM 512 CB MET 64 16.952 19.216 20.139 1.00 0.00 ATOM 513 CG MET 64 15.555 19.735 20.451 1.00 0.00 ATOM 514 SD MET 64 15.301 20.029 22.213 1.00 0.00 ATOM 515 CE MET 64 16.283 21.505 22.456 1.00 0.00 ATOM 516 O MET 64 15.849 20.507 17.437 1.00 0.00 ATOM 517 C MET 64 16.970 20.235 17.845 1.00 0.00 ATOM 518 N ALA 65 17.957 21.117 17.760 1.00 0.00 ATOM 519 CA ALA 65 17.836 22.308 16.879 1.00 0.00 ATOM 520 CB ALA 65 19.048 23.184 16.923 1.00 0.00 ATOM 521 O ALA 65 16.806 22.354 14.695 1.00 0.00 ATOM 522 C ALA 65 17.675 21.857 15.417 1.00 0.00 ATOM 523 N GLY 66 18.513 20.896 15.013 1.00 0.00 ATOM 524 CA GLY 66 18.418 20.361 13.661 1.00 0.00 ATOM 525 O GLY 66 16.489 19.856 12.339 1.00 0.00 ATOM 526 C GLY 66 17.097 19.666 13.395 1.00 0.00 ATOM 527 N ASP 67 16.533 19.055 14.399 1.00 0.00 ATOM 528 CA ASP 67 15.295 18.286 14.293 1.00 0.00 ATOM 529 CB ASP 67 15.506 16.929 13.618 1.00 0.00 ATOM 530 CG ASP 67 14.220 16.213 13.228 1.00 0.00 ATOM 531 OD1 ASP 67 13.172 16.799 13.363 1.00 0.00 ATOM 532 OD2 ASP 67 14.304 15.153 12.655 1.00 0.00 ATOM 533 O ASP 67 14.960 17.142 16.411 1.00 0.00 ATOM 534 C ASP 67 14.669 18.089 15.688 1.00 0.00 ATOM 535 N PRO 68 13.861 19.085 16.107 1.00 0.00 ATOM 536 CA PRO 68 13.200 19.007 17.424 1.00 0.00 ATOM 537 CB PRO 68 12.319 20.243 17.472 1.00 0.00 ATOM 538 CG PRO 68 13.117 21.220 16.634 1.00 0.00 ATOM 539 CD PRO 68 13.593 20.372 15.465 1.00 0.00 ATOM 540 O PRO 68 12.144 17.196 18.581 1.00 0.00 ATOM 541 C PRO 68 12.334 17.756 17.501 1.00 0.00 ATOM 542 N LEU 69 11.775 17.343 16.329 1.00 0.00 ATOM 543 CA LEU 69 10.901 16.168 16.304 1.00 0.00 ATOM 544 CB LEU 69 10.312 16.023 14.886 1.00 0.00 ATOM 545 CG LEU 69 9.285 17.098 14.492 1.00 0.00 ATOM 546 CD1 LEU 69 9.028 16.961 13.049 1.00 0.00 ATOM 547 CD2 LEU 69 8.044 16.962 15.337 1.00 0.00 ATOM 548 O LEU 69 11.162 14.071 17.445 1.00 0.00 ATOM 549 C LEU 69 11.661 14.900 16.688 1.00 0.00 ATOM 550 N GLU 70 12.918 14.775 16.203 1.00 0.00 ATOM 551 CA GLU 70 13.739 13.605 16.485 1.00 0.00 ATOM 552 CB GLU 70 14.993 13.598 15.608 1.00 0.00 ATOM 553 CG GLU 70 15.878 12.372 15.785 1.00 0.00 ATOM 554 CD GLU 70 17.057 12.410 14.853 1.00 0.00 ATOM 555 OE1 GLU 70 17.165 13.347 14.100 1.00 0.00 ATOM 556 OE2 GLU 70 17.909 11.560 14.971 1.00 0.00 ATOM 557 O GLU 70 14.056 12.465 18.595 1.00 0.00 ATOM 558 C GLU 70 14.132 13.513 17.959 1.00 0.00 ATOM 559 N HIS 71 14.509 14.657 18.520 1.00 0.00 ATOM 560 CA HIS 71 14.836 14.716 19.945 1.00 0.00 ATOM 561 CB HIS 71 15.384 16.097 20.317 1.00 0.00 ATOM 562 CG HIS 71 15.761 16.225 21.761 1.00 0.00 ATOM 563 CD2 HIS 71 15.071 16.696 22.825 1.00 0.00 ATOM 564 ND1 HIS 71 16.994 15.837 22.243 1.00 0.00 ATOM 565 CE1 HIS 71 17.045 16.066 23.545 1.00 0.00 ATOM 566 NE2 HIS 71 15.891 16.586 23.921 1.00 0.00 ATOM 567 O HIS 71 13.737 13.645 21.805 1.00 0.00 ATOM 568 C HIS 71 13.624 14.376 20.813 1.00 0.00 ATOM 569 N HIS 72 12.462 14.911 20.431 1.00 0.00 ATOM 570 CA HIS 72 11.183 14.604 21.104 1.00 0.00 ATOM 571 CB HIS 72 10.030 15.379 20.459 1.00 0.00 ATOM 572 CG HIS 72 8.695 15.089 21.068 1.00 0.00 ATOM 573 CD2 HIS 72 7.643 14.367 20.611 1.00 0.00 ATOM 574 ND1 HIS 72 8.320 15.568 22.306 1.00 0.00 ATOM 575 CE1 HIS 72 7.096 15.153 22.583 1.00 0.00 ATOM 576 NE2 HIS 72 6.665 14.424 21.572 1.00 0.00 ATOM 577 O HIS 72 10.619 12.480 22.096 1.00 0.00 ATOM 578 C HIS 72 10.918 13.098 21.070 1.00 0.00 ATOM 579 N HIS 73 11.088 12.478 19.875 1.00 0.00 ATOM 580 CA HIS 73 10.859 11.045 19.700 1.00 0.00 ATOM 581 CB HIS 73 11.023 10.683 18.216 1.00 0.00 ATOM 582 CG HIS 73 10.703 9.204 17.988 1.00 0.00 ATOM 583 CD2 HIS 73 11.578 8.231 17.730 1.00 0.00 ATOM 584 ND1 HIS 73 9.470 8.712 18.011 1.00 0.00 ATOM 585 CE1 HIS 73 9.611 7.421 17.767 1.00 0.00 ATOM 586 NE2 HIS 73 10.883 7.114 17.546 1.00 0.00 ATOM 587 O HIS 73 11.547 9.073 20.880 1.00 0.00 ATOM 588 C HIS 73 11.839 10.199 20.511 1.00 0.00 ATOM 589 N HIS 74 13.093 10.625 20.563 1.00 0.00 ATOM 590 CA HIS 74 14.092 9.884 21.350 1.00 0.00 ATOM 591 CB HIS 74 15.506 10.390 21.046 1.00 0.00 ATOM 592 CG HIS 74 15.991 10.032 19.675 1.00 0.00 ATOM 593 CD2 HIS 74 15.513 9.155 18.761 1.00 0.00 ATOM 594 ND1 HIS 74 17.104 10.613 19.105 1.00 0.00 ATOM 595 CE1 HIS 74 17.292 10.107 17.898 1.00 0.00 ATOM 596 NE2 HIS 74 16.340 9.220 17.667 1.00 0.00 ATOM 597 O HIS 74 13.789 9.019 23.569 1.00 0.00 ATOM 598 C HIS 74 13.785 10.005 22.838 1.00 0.00 ATOM 599 N HIS 75 13.597 11.234 23.298 1.00 0.00 ATOM 600 CA HIS 75 13.297 11.497 24.717 1.00 0.00 ATOM 601 CB HIS 75 13.172 13.002 24.973 1.00 0.00 ATOM 602 CG HIS 75 13.079 13.361 26.424 1.00 0.00 ATOM 603 CD2 HIS 75 13.175 12.598 27.539 1.00 0.00 ATOM 604 ND1 HIS 75 12.860 14.650 26.859 1.00 0.00 ATOM 605 CE1 HIS 75 12.826 14.666 28.181 1.00 0.00 ATOM 606 NE2 HIS 75 13.015 13.433 28.617 1.00 0.00 ATOM 607 O HIS 75 11.980 10.183 26.241 1.00 0.00 ATOM 608 C HIS 75 11.989 10.823 25.197 1.00 0.00 ATOM 609 N HIS 76 10.949 10.947 24.374 1.00 0.00 ATOM 610 CA HIS 76 9.610 10.379 24.648 1.00 0.00 ATOM 611 CB HIS 76 8.501 11.415 24.432 1.00 0.00 ATOM 612 CG HIS 76 8.572 12.576 25.374 1.00 0.00 ATOM 613 CD2 HIS 76 9.056 13.829 25.211 1.00 0.00 ATOM 614 ND1 HIS 76 8.100 12.513 26.669 1.00 0.00 ATOM 615 CE1 HIS 76 8.292 13.679 27.261 1.00 0.00 ATOM 616 NE2 HIS 76 8.871 14.494 26.397 1.00 0.00 ATOM 617 O HIS 76 10.175 8.823 22.952 1.00 0.00 ATOM 618 C HIS 76 9.318 9.149 23.772 1.00 0.00 TER END