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 5 Tue Jul 4 17:25:42 2006 MODEL 5 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 26.467 19.371 26.051 1.00 0.00 ATOM 2 CA MET 1 27.196 20.629 26.364 1.00 0.00 ATOM 3 CB MET 1 26.602 21.297 27.605 1.00 0.00 ATOM 4 CG MET 1 26.754 20.486 28.881 1.00 0.00 ATOM 5 SD MET 1 26.009 21.290 30.311 1.00 0.00 ATOM 6 CE MET 1 27.142 22.656 30.560 1.00 0.00 ATOM 7 O MET 1 28.899 19.129 27.090 1.00 0.00 ATOM 8 C MET 1 28.633 20.238 26.625 1.00 0.00 ATOM 9 N ALA 2 29.543 21.175 26.362 1.00 0.00 ATOM 10 CA ALA 2 30.961 20.928 26.532 1.00 0.00 ATOM 11 CB ALA 2 31.766 22.021 25.908 1.00 0.00 ATOM 12 O ALA 2 31.019 21.609 28.808 1.00 0.00 ATOM 13 C ALA 2 31.281 20.719 27.998 1.00 0.00 ATOM 14 N SER 3 31.855 19.533 28.450 1.00 0.00 ATOM 15 CA SER 3 32.237 19.226 29.825 1.00 0.00 ATOM 16 CB SER 3 32.409 17.716 30.000 1.00 0.00 ATOM 17 OG SER 3 33.527 17.242 29.272 1.00 0.00 ATOM 18 O SER 3 34.311 20.241 29.163 1.00 0.00 ATOM 19 C SER 3 33.549 19.968 30.091 1.00 0.00 ATOM 20 N LYS 4 33.851 20.218 31.365 1.00 0.00 ATOM 21 CA LYS 4 35.055 20.950 31.749 1.00 0.00 ATOM 22 CB LYS 4 34.797 21.802 32.993 1.00 0.00 ATOM 23 CG LYS 4 33.790 22.922 32.779 1.00 0.00 ATOM 24 CD LYS 4 33.577 23.724 34.052 1.00 0.00 ATOM 25 CE LYS 4 32.533 24.809 33.855 1.00 0.00 ATOM 26 NZ LYS 4 32.333 25.620 35.087 1.00 0.00 ATOM 27 O LYS 4 37.294 20.573 32.466 1.00 0.00 ATOM 28 C LYS 4 36.253 20.073 32.042 1.00 0.00 ATOM 29 N LYS 5 36.047 18.763 32.014 1.00 0.00 ATOM 30 CA LYS 5 37.131 17.822 32.265 1.00 0.00 ATOM 31 CB LYS 5 36.651 16.383 32.063 1.00 0.00 ATOM 32 CG LYS 5 35.611 15.926 33.072 1.00 0.00 ATOM 33 CD LYS 5 35.181 14.493 32.813 1.00 0.00 ATOM 34 CE LYS 5 34.144 14.034 33.825 1.00 0.00 ATOM 35 NZ LYS 5 33.712 12.630 33.582 1.00 0.00 ATOM 36 O LYS 5 39.420 17.677 31.560 1.00 0.00 ATOM 37 C LYS 5 38.298 18.126 31.342 1.00 0.00 ATOM 38 N VAL 6 38.015 18.866 30.285 1.00 0.00 ATOM 39 CA VAL 6 39.026 19.198 29.307 1.00 0.00 ATOM 40 CB VAL 6 38.802 18.484 27.937 1.00 0.00 ATOM 41 CG1 VAL 6 39.156 17.002 28.037 1.00 0.00 ATOM 42 CG2 VAL 6 37.362 18.672 27.493 1.00 0.00 ATOM 43 O VAL 6 37.986 21.336 29.128 1.00 0.00 ATOM 44 C VAL 6 39.012 20.684 29.000 1.00 0.00 ATOM 45 N HIS 7 40.152 21.222 28.590 1.00 0.00 ATOM 46 CA HIS 7 40.216 22.634 28.264 1.00 0.00 ATOM 47 CB HIS 7 41.725 23.104 28.313 1.00 0.00 ATOM 48 CG HIS 7 42.712 22.358 27.449 1.00 0.00 ATOM 49 CD2 HIS 7 43.650 21.433 27.801 1.00 0.00 ATOM 50 ND1 HIS 7 42.840 22.599 26.084 1.00 0.00 ATOM 51 CE1 HIS 7 43.819 21.810 25.642 1.00 0.00 ATOM 52 NE2 HIS 7 44.327 21.101 26.645 1.00 0.00 ATOM 53 O HIS 7 39.095 24.180 26.810 1.00 0.00 ATOM 54 C HIS 7 39.549 23.048 26.951 1.00 0.00 ATOM 55 N GLN 8 39.607 21.984 26.058 1.00 0.00 ATOM 56 CA GLN 8 39.010 22.205 24.747 1.00 0.00 ATOM 57 CB GLN 8 40.137 22.552 23.712 1.00 0.00 ATOM 58 CG GLN 8 40.577 21.294 23.026 1.00 0.00 ATOM 59 CD GLN 8 41.672 21.482 21.984 1.00 0.00 ATOM 60 OE1 GLN 8 41.899 20.573 21.158 1.00 0.00 ATOM 61 NE2 GLN 8 42.368 22.621 22.018 1.00 0.00 ATOM 62 O GLN 8 38.168 19.966 24.631 1.00 0.00 ATOM 63 C GLN 8 37.962 21.154 24.405 1.00 0.00 ATOM 64 N ILE 9 36.836 21.601 23.862 1.00 0.00 ATOM 65 CA ILE 9 35.776 20.689 23.456 1.00 0.00 ATOM 66 CB ILE 9 34.415 21.247 23.781 1.00 0.00 ATOM 67 CG1 ILE 9 34.232 21.303 25.289 1.00 0.00 ATOM 68 CG2 ILE 9 33.359 20.383 23.146 1.00 0.00 ATOM 69 CD1 ILE 9 33.025 22.150 25.718 1.00 0.00 ATOM 70 O ILE 9 35.823 21.426 21.174 1.00 0.00 ATOM 71 C ILE 9 35.916 20.477 21.952 1.00 0.00 ATOM 72 N ASN 10 36.283 19.259 21.570 1.00 0.00 ATOM 73 CA ASN 10 36.462 18.898 20.170 1.00 0.00 ATOM 74 CB ASN 10 37.465 17.766 20.090 1.00 0.00 ATOM 75 CG ASN 10 37.547 17.198 18.689 1.00 0.00 ATOM 76 ND2 ASN 10 38.287 16.104 18.534 1.00 0.00 ATOM 77 OD1 ASN 10 36.962 17.736 17.756 1.00 0.00 ATOM 78 O ASN 10 34.662 17.323 20.290 1.00 0.00 ATOM 79 C ASN 10 35.138 18.300 19.715 1.00 0.00 ATOM 80 N VAL 11 34.561 18.873 18.663 1.00 0.00 ATOM 81 CA VAL 11 33.267 18.428 18.168 1.00 0.00 ATOM 82 CB VAL 11 32.191 19.525 18.271 1.00 0.00 ATOM 83 CG1 VAL 11 30.877 19.038 17.679 1.00 0.00 ATOM 84 CG2 VAL 11 31.953 19.903 19.724 1.00 0.00 ATOM 85 O VAL 11 33.958 18.587 15.889 1.00 0.00 ATOM 86 C VAL 11 33.297 17.971 16.728 1.00 0.00 ATOM 87 N LYS 12 32.554 16.878 16.471 1.00 0.00 ATOM 88 CA LYS 12 32.379 16.280 15.154 1.00 0.00 ATOM 89 CB LYS 12 33.305 15.068 14.983 1.00 0.00 ATOM 90 CG LYS 12 33.300 14.464 13.594 1.00 0.00 ATOM 91 CD LYS 12 34.329 13.353 13.478 1.00 0.00 ATOM 92 CE LYS 12 34.318 12.736 12.089 1.00 0.00 ATOM 93 NZ LYS 12 34.553 13.755 11.028 1.00 0.00 ATOM 94 O LYS 12 30.315 15.197 15.723 1.00 0.00 ATOM 95 C LYS 12 30.873 16.092 15.082 1.00 0.00 ATOM 96 N GLY 13 30.224 16.957 14.314 1.00 0.00 ATOM 97 CA GLY 13 28.774 16.947 14.207 1.00 0.00 ATOM 98 O GLY 13 28.753 16.926 11.809 1.00 0.00 ATOM 99 C GLY 13 28.259 16.499 12.850 1.00 0.00 ATOM 100 N PHE 14 27.268 15.611 12.881 1.00 0.00 ATOM 101 CA PHE 14 26.659 15.085 11.669 1.00 0.00 ATOM 102 CB PHE 14 26.556 13.560 11.744 1.00 0.00 ATOM 103 CG PHE 14 27.886 12.863 11.733 1.00 0.00 ATOM 104 CD1 PHE 14 28.544 12.575 12.917 1.00 0.00 ATOM 105 CD2 PHE 14 28.481 12.493 10.539 1.00 0.00 ATOM 106 CE1 PHE 14 29.768 11.933 12.906 1.00 0.00 ATOM 107 CE2 PHE 14 29.704 11.849 10.528 1.00 0.00 ATOM 108 CZ PHE 14 30.347 11.569 11.705 1.00 0.00 ATOM 109 O PHE 14 24.448 15.613 12.422 1.00 0.00 ATOM 110 C PHE 14 25.263 15.669 11.503 1.00 0.00 ATOM 111 N PHE 15 25.036 16.180 10.350 1.00 0.00 ATOM 112 CA PHE 15 23.734 16.768 10.048 1.00 0.00 ATOM 113 CB PHE 15 23.845 18.290 9.936 1.00 0.00 ATOM 114 CG PHE 15 24.335 18.956 11.189 1.00 0.00 ATOM 115 CD1 PHE 15 25.683 19.199 11.382 1.00 0.00 ATOM 116 CD2 PHE 15 23.444 19.340 12.178 1.00 0.00 ATOM 117 CE1 PHE 15 26.132 19.812 12.535 1.00 0.00 ATOM 118 CE2 PHE 15 23.893 19.953 13.332 1.00 0.00 ATOM 119 CZ PHE 15 25.232 20.189 13.513 1.00 0.00 ATOM 120 O PHE 15 23.799 16.551 7.664 1.00 0.00 ATOM 121 C PHE 15 23.328 16.145 8.728 1.00 0.00 ATOM 122 N ASP 16 22.329 15.178 8.790 1.00 0.00 ATOM 123 CA ASP 16 21.881 14.436 7.621 1.00 0.00 ATOM 124 CB ASP 16 21.408 15.397 6.527 1.00 0.00 ATOM 125 CG ASP 16 20.207 16.219 6.953 1.00 0.00 ATOM 126 OD1 ASP 16 19.247 15.631 7.494 1.00 0.00 ATOM 127 OD2 ASP 16 20.226 17.449 6.744 1.00 0.00 ATOM 128 O ASP 16 23.623 12.831 7.869 1.00 0.00 ATOM 129 C ASP 16 23.069 13.629 7.117 1.00 0.00 ATOM 130 N MET 17 23.593 13.996 5.954 1.00 0.00 ATOM 131 CA MET 17 24.724 13.279 5.383 1.00 0.00 ATOM 132 CB MET 17 24.502 13.074 3.885 1.00 0.00 ATOM 133 CG MET 17 23.314 12.187 3.548 1.00 0.00 ATOM 134 SD MET 17 23.505 10.504 4.166 1.00 0.00 ATOM 135 CE MET 17 24.857 9.919 3.152 1.00 0.00 ATOM 136 O MET 17 27.099 13.411 5.144 1.00 0.00 ATOM 137 C MET 17 26.074 13.983 5.519 1.00 0.00 ATOM 138 N ASP 18 26.007 15.259 6.076 1.00 0.00 ATOM 139 CA ASP 18 27.262 16.010 6.190 1.00 0.00 ATOM 140 CB ASP 18 27.039 17.489 5.876 1.00 0.00 ATOM 141 CG ASP 18 26.773 17.739 4.405 1.00 0.00 ATOM 142 OD1 ASP 18 26.975 16.808 3.599 1.00 0.00 ATOM 143 OD2 ASP 18 26.363 18.867 4.059 1.00 0.00 ATOM 144 O ASP 18 27.178 15.756 8.578 1.00 0.00 ATOM 145 C ASP 18 27.876 15.960 7.582 1.00 0.00 ATOM 146 N VAL 19 29.179 16.215 7.638 1.00 0.00 ATOM 147 CA VAL 19 29.905 16.274 8.898 1.00 0.00 ATOM 148 CB VAL 19 30.957 15.150 8.986 1.00 0.00 ATOM 149 CG1 VAL 19 31.968 15.279 7.860 1.00 0.00 ATOM 150 CG2 VAL 19 31.702 15.222 10.310 1.00 0.00 ATOM 151 O VAL 19 31.227 18.068 7.979 1.00 0.00 ATOM 152 C VAL 19 30.644 17.626 8.972 1.00 0.00 ATOM 153 N MET 20 30.568 18.223 10.099 1.00 0.00 ATOM 154 CA MET 20 31.339 19.458 10.374 1.00 0.00 ATOM 155 CB MET 20 30.415 20.685 10.106 1.00 0.00 ATOM 156 CG MET 20 29.344 20.864 11.174 1.00 0.00 ATOM 157 SD MET 20 28.129 22.132 10.738 1.00 0.00 ATOM 158 CE MET 20 29.096 23.624 11.007 1.00 0.00 ATOM 159 O MET 20 31.549 18.917 12.708 1.00 0.00 ATOM 160 C MET 20 32.097 19.346 11.687 1.00 0.00 ATOM 161 N GLU 21 33.350 19.781 11.669 1.00 0.00 ATOM 162 CA GLU 21 34.200 19.724 12.850 1.00 0.00 ATOM 163 CB GLU 21 35.473 18.932 12.542 1.00 0.00 ATOM 164 CG GLU 21 35.229 17.459 12.250 1.00 0.00 ATOM 165 CD GLU 21 36.517 16.695 12.007 1.00 0.00 ATOM 166 OE1 GLU 21 37.597 17.319 12.051 1.00 0.00 ATOM 167 OE2 GLU 21 36.444 15.470 11.772 1.00 0.00 ATOM 168 O GLU 21 34.977 21.971 12.515 1.00 0.00 ATOM 169 C GLU 21 34.614 21.110 13.316 1.00 0.00 ATOM 170 N VAL 22 34.577 21.109 14.744 1.00 0.00 ATOM 171 CA VAL 22 34.903 22.419 15.291 1.00 0.00 ATOM 172 CB VAL 22 33.696 23.373 15.226 1.00 0.00 ATOM 173 CG1 VAL 22 33.333 23.675 13.780 1.00 0.00 ATOM 174 CG2 VAL 22 32.487 22.751 15.906 1.00 0.00 ATOM 175 O VAL 22 35.475 21.062 17.173 1.00 0.00 ATOM 176 C VAL 22 35.399 22.199 16.706 1.00 0.00 ATOM 177 N THR 23 35.803 23.278 17.362 1.00 0.00 ATOM 178 CA THR 23 36.265 23.180 18.735 1.00 0.00 ATOM 179 CB THR 23 37.765 22.773 18.738 1.00 0.00 ATOM 180 CG2 THR 23 38.595 23.833 18.006 1.00 0.00 ATOM 181 OG1 THR 23 38.248 22.638 20.080 1.00 0.00 ATOM 182 O THR 23 36.194 25.568 18.827 1.00 0.00 ATOM 183 C THR 23 36.067 24.509 19.435 1.00 0.00 ATOM 184 N GLU 24 35.809 24.448 20.732 1.00 0.00 ATOM 185 CA GLU 24 35.624 25.652 21.518 1.00 0.00 ATOM 186 CB GLU 24 34.154 25.739 21.868 1.00 0.00 ATOM 187 CG GLU 24 33.440 26.320 20.642 1.00 0.00 ATOM 188 CD GLU 24 32.011 26.733 20.835 1.00 0.00 ATOM 189 OE1 GLU 24 31.481 26.570 21.951 1.00 0.00 ATOM 190 OE2 GLU 24 31.400 27.172 19.811 1.00 0.00 ATOM 191 O GLU 24 36.081 24.279 23.420 1.00 0.00 ATOM 192 C GLU 24 36.077 25.412 22.942 1.00 0.00 ATOM 193 N GLN 25 36.503 26.476 23.631 1.00 0.00 ATOM 194 CA GLN 25 36.950 26.326 25.014 1.00 0.00 ATOM 195 CB GLN 25 37.362 27.681 25.592 1.00 0.00 ATOM 196 CG GLN 25 37.968 27.602 26.984 1.00 0.00 ATOM 197 CD GLN 25 38.477 28.942 27.475 1.00 0.00 ATOM 198 OE1 GLN 25 38.336 29.959 26.794 1.00 0.00 ATOM 199 NE2 GLN 25 39.076 28.950 28.660 1.00 0.00 ATOM 200 O GLN 25 34.678 26.108 25.720 1.00 0.00 ATOM 201 C GLN 25 35.839 25.739 25.875 1.00 0.00 ATOM 202 N THR 26 36.325 24.606 26.527 1.00 0.00 ATOM 203 CA THR 26 35.372 23.650 27.068 1.00 0.00 ATOM 204 CB THR 26 36.084 22.483 27.776 1.00 0.00 ATOM 205 CG2 THR 26 35.068 21.519 28.367 1.00 0.00 ATOM 206 OG1 THR 26 36.902 21.777 26.834 1.00 0.00 ATOM 207 O THR 26 33.289 24.141 28.145 1.00 0.00 ATOM 208 C THR 26 34.505 24.343 28.124 1.00 0.00 ATOM 209 N LYS 27 35.081 25.190 28.957 1.00 0.00 ATOM 210 CA LYS 27 34.298 25.910 29.971 1.00 0.00 ATOM 211 CB LYS 27 35.230 26.625 30.953 1.00 0.00 ATOM 212 CG LYS 27 36.162 25.696 31.713 1.00 0.00 ATOM 213 CD LYS 27 37.034 26.467 32.690 1.00 0.00 ATOM 214 CE LYS 27 37.968 25.539 33.450 1.00 0.00 ATOM 215 NZ LYS 27 38.837 26.282 34.405 1.00 0.00 ATOM 216 O LYS 27 32.425 27.386 30.203 1.00 0.00 ATOM 217 C LYS 27 33.275 26.911 29.448 1.00 0.00 ATOM 218 N GLU 28 33.411 27.234 28.095 1.00 0.00 ATOM 219 CA GLU 28 32.492 28.194 27.493 1.00 0.00 ATOM 220 CB GLU 28 33.305 29.177 26.652 1.00 0.00 ATOM 221 CG GLU 28 34.439 29.819 27.450 1.00 0.00 ATOM 222 CD GLU 28 33.958 30.884 28.400 1.00 0.00 ATOM 223 OE1 GLU 28 32.736 31.139 28.500 1.00 0.00 ATOM 224 OE2 GLU 28 34.829 31.476 29.072 1.00 0.00 ATOM 225 O GLU 28 30.337 28.249 26.430 1.00 0.00 ATOM 226 C GLU 28 31.227 27.555 26.920 1.00 0.00 ATOM 227 N ALA 29 31.157 26.230 26.993 1.00 0.00 ATOM 228 CA ALA 29 30.007 25.479 26.489 1.00 0.00 ATOM 229 CB ALA 29 30.443 24.097 26.134 1.00 0.00 ATOM 230 O ALA 29 29.140 25.110 28.656 1.00 0.00 ATOM 231 C ALA 29 28.910 25.529 27.536 1.00 0.00 ATOM 232 N GLU 30 27.756 26.041 27.206 1.00 0.00 ATOM 233 CA GLU 30 26.655 26.156 28.169 1.00 0.00 ATOM 234 CB GLU 30 25.772 27.303 27.927 1.00 0.00 ATOM 235 CG GLU 30 26.564 28.606 28.021 1.00 0.00 ATOM 236 CD GLU 30 25.703 29.836 28.204 1.00 0.00 ATOM 237 OE1 GLU 30 24.529 29.811 27.789 1.00 0.00 ATOM 238 OE2 GLU 30 26.206 30.838 28.757 1.00 0.00 ATOM 239 O GLU 30 25.223 24.380 29.058 1.00 0.00 ATOM 240 C GLU 30 25.736 24.926 28.057 1.00 0.00 ATOM 241 N TYR 31 25.530 24.406 26.756 1.00 0.00 ATOM 242 CA TYR 31 24.688 23.234 26.548 1.00 0.00 ATOM 243 CB TYR 31 23.305 23.458 27.217 1.00 0.00 ATOM 244 CG TYR 31 22.649 24.767 26.843 1.00 0.00 ATOM 245 CD1 TYR 31 22.044 24.939 25.599 1.00 0.00 ATOM 246 CD2 TYR 31 22.644 25.839 27.734 1.00 0.00 ATOM 247 CE1 TYR 31 21.449 26.149 25.254 1.00 0.00 ATOM 248 CE2 TYR 31 22.053 27.052 27.399 1.00 0.00 ATOM 249 CZ TYR 31 21.460 27.201 26.157 1.00 0.00 ATOM 250 OH TYR 31 20.889 28.406 25.822 1.00 0.00 ATOM 251 O TYR 31 24.952 23.633 24.206 1.00 0.00 ATOM 252 C TYR 31 24.491 22.906 25.083 1.00 0.00 ATOM 253 N THR 32 23.841 21.809 24.800 1.00 0.00 ATOM 254 CA THR 32 23.597 21.349 23.442 1.00 0.00 ATOM 255 CB THR 32 22.887 19.954 23.501 1.00 0.00 ATOM 256 CG2 THR 32 22.531 19.469 22.098 1.00 0.00 ATOM 257 OG1 THR 32 23.750 18.999 24.128 1.00 0.00 ATOM 258 O THR 32 23.028 22.488 21.413 1.00 0.00 ATOM 259 C THR 32 22.761 22.314 22.602 1.00 0.00 ATOM 260 N TYR 33 21.689 22.851 23.176 1.00 0.00 ATOM 261 CA TYR 33 20.830 23.772 22.438 1.00 0.00 ATOM 262 CB TYR 33 19.713 24.304 23.341 1.00 0.00 ATOM 263 CG TYR 33 18.804 25.304 22.665 1.00 0.00 ATOM 264 CD1 TYR 33 17.790 24.881 21.815 1.00 0.00 ATOM 265 CD2 TYR 33 18.960 26.666 22.881 1.00 0.00 ATOM 266 CE1 TYR 33 16.954 25.789 21.193 1.00 0.00 ATOM 267 CE2 TYR 33 18.134 27.587 22.266 1.00 0.00 ATOM 268 CZ TYR 33 17.124 27.136 21.418 1.00 0.00 ATOM 269 OH TYR 33 16.291 28.043 20.801 1.00 0.00 ATOM 270 O TYR 33 21.519 25.322 20.745 1.00 0.00 ATOM 271 C TYR 33 21.619 24.964 21.917 1.00 0.00 ATOM 272 N ASP 34 22.697 25.576 22.728 1.00 0.00 ATOM 273 CA ASP 34 23.482 26.703 22.247 1.00 0.00 ATOM 274 CB ASP 34 24.209 27.373 23.411 1.00 0.00 ATOM 275 CG ASP 34 23.392 28.355 24.226 1.00 0.00 ATOM 276 OD1 ASP 34 22.350 28.809 23.721 1.00 0.00 ATOM 277 OD2 ASP 34 23.876 28.657 25.340 1.00 0.00 ATOM 278 O ASP 34 24.623 26.918 20.165 1.00 0.00 ATOM 279 C ASP 34 24.501 26.270 21.197 1.00 0.00 ATOM 280 N PHE 35 25.158 25.150 21.424 1.00 0.00 ATOM 281 CA PHE 35 26.141 24.641 20.465 1.00 0.00 ATOM 282 CB PHE 35 26.904 23.476 21.032 1.00 0.00 ATOM 283 CG PHE 35 28.144 23.117 20.265 1.00 0.00 ATOM 284 CD1 PHE 35 29.262 23.926 20.296 1.00 0.00 ATOM 285 CD2 PHE 35 28.187 21.951 19.511 1.00 0.00 ATOM 286 CE1 PHE 35 30.405 23.600 19.596 1.00 0.00 ATOM 287 CE2 PHE 35 29.327 21.618 18.806 1.00 0.00 ATOM 288 CZ PHE 35 30.434 22.438 18.851 1.00 0.00 ATOM 289 O PHE 35 26.006 24.478 18.074 1.00 0.00 ATOM 290 C PHE 35 25.467 24.242 19.155 1.00 0.00 ATOM 291 N LYS 36 24.262 23.620 19.219 1.00 0.00 ATOM 292 CA LYS 36 23.529 23.209 18.026 1.00 0.00 ATOM 293 CB LYS 36 22.239 22.478 18.401 1.00 0.00 ATOM 294 CG LYS 36 21.428 21.996 17.210 1.00 0.00 ATOM 295 CD LYS 36 20.202 21.214 17.655 1.00 0.00 ATOM 296 CE LYS 36 19.377 20.758 16.463 1.00 0.00 ATOM 297 NZ LYS 36 18.164 20.002 16.885 1.00 0.00 ATOM 298 O LYS 36 23.276 24.454 15.988 1.00 0.00 ATOM 299 C LYS 36 23.173 24.449 17.212 1.00 0.00 ATOM 300 N GLU 37 22.680 25.563 17.812 1.00 0.00 ATOM 301 CA GLU 37 22.294 26.781 17.108 1.00 0.00 ATOM 302 CB GLU 37 21.782 27.831 18.096 1.00 0.00 ATOM 303 CG GLU 37 21.296 29.115 17.442 1.00 0.00 ATOM 304 CD GLU 37 20.744 30.107 18.446 1.00 0.00 ATOM 305 OE1 GLU 37 20.723 29.782 19.652 1.00 0.00 ATOM 306 OE2 GLU 37 20.332 31.208 18.026 1.00 0.00 ATOM 307 O GLU 37 23.398 27.735 15.196 1.00 0.00 ATOM 308 C GLU 37 23.502 27.346 16.362 1.00 0.00 ATOM 309 N ILE 38 24.669 27.313 17.023 1.00 0.00 ATOM 310 CA ILE 38 25.866 27.818 16.355 1.00 0.00 ATOM 311 CB ILE 38 27.026 27.980 17.389 1.00 0.00 ATOM 312 CG1 ILE 38 26.635 29.030 18.436 1.00 0.00 ATOM 313 CG2 ILE 38 28.313 28.407 16.677 1.00 0.00 ATOM 314 CD1 ILE 38 27.626 29.176 19.579 1.00 0.00 ATOM 315 O ILE 38 26.704 27.446 14.123 1.00 0.00 ATOM 316 C ILE 38 26.298 26.955 15.179 1.00 0.00 ATOM 317 N LEU 39 26.271 25.624 15.330 1.00 0.00 ATOM 318 CA LEU 39 26.615 24.774 14.202 1.00 0.00 ATOM 319 CB LEU 39 26.661 23.343 14.642 1.00 0.00 ATOM 320 CG LEU 39 27.765 22.906 15.617 1.00 0.00 ATOM 321 CD1 LEU 39 27.559 21.472 16.041 1.00 0.00 ATOM 322 CD2 LEU 39 29.173 23.069 15.017 1.00 0.00 ATOM 323 O LEU 39 26.019 24.997 11.920 1.00 0.00 ATOM 324 C LEU 39 25.651 24.957 13.060 1.00 0.00 ATOM 325 N SER 40 24.349 25.071 13.367 1.00 0.00 ATOM 326 CA SER 40 23.366 25.292 12.309 1.00 0.00 ATOM 327 CB SER 40 21.938 25.330 12.857 1.00 0.00 ATOM 328 OG SER 40 21.570 24.076 13.410 1.00 0.00 ATOM 329 O SER 40 23.476 26.739 10.346 1.00 0.00 ATOM 330 C SER 40 23.630 26.595 11.564 1.00 0.00 ATOM 331 N GLU 41 24.014 27.616 12.324 1.00 0.00 ATOM 332 CA GLU 41 24.231 28.923 11.714 1.00 0.00 ATOM 333 CB GLU 41 24.604 29.951 12.850 1.00 0.00 ATOM 334 CG GLU 41 23.452 30.285 13.783 1.00 0.00 ATOM 335 CD GLU 41 23.853 31.199 14.932 1.00 0.00 ATOM 336 OE1 GLU 41 24.966 31.029 15.469 1.00 0.00 ATOM 337 OE2 GLU 41 23.042 32.072 15.308 1.00 0.00 ATOM 338 O GLU 41 25.130 29.640 9.695 1.00 0.00 ATOM 339 C GLU 41 25.315 28.889 10.653 1.00 0.00 ATOM 340 N PHE 42 23.919 28.116 8.700 1.00 0.00 ATOM 341 CA PHE 42 22.521 27.730 8.564 1.00 0.00 ATOM 342 CB PHE 42 22.216 26.523 7.840 1.00 0.00 ATOM 343 CG PHE 42 22.846 25.217 8.305 1.00 0.00 ATOM 344 CD1 PHE 42 22.168 24.454 9.275 1.00 0.00 ATOM 345 CD2 PHE 42 24.082 24.780 7.849 1.00 0.00 ATOM 346 CE1 PHE 42 22.685 23.300 9.746 1.00 0.00 ATOM 347 CE2 PHE 42 24.620 23.601 8.312 1.00 0.00 ATOM 348 CZ PHE 42 23.914 22.863 9.307 1.00 0.00 ATOM 349 O PHE 42 20.890 29.492 8.368 1.00 0.00 ATOM 350 C PHE 42 21.609 28.831 9.118 1.00 0.00 ATOM 351 N ASN 43 21.800 28.914 10.544 1.00 0.00 ATOM 352 CA ASN 43 20.978 29.897 11.252 1.00 0.00 ATOM 353 CB ASN 43 21.332 31.295 10.758 1.00 0.00 ATOM 354 CG ASN 43 20.658 32.384 11.574 1.00 0.00 ATOM 355 ND2 ASN 43 21.401 33.451 11.849 1.00 0.00 ATOM 356 OD1 ASN 43 19.487 32.281 11.943 1.00 0.00 ATOM 357 O ASN 43 19.051 30.032 9.800 1.00 0.00 ATOM 358 C ASN 43 19.488 29.737 10.915 1.00 0.00 ATOM 359 N GLY 44 18.715 29.290 11.941 1.00 0.00 ATOM 360 CA GLY 44 17.286 29.083 11.768 1.00 0.00 ATOM 361 O GLY 44 15.674 27.572 10.852 1.00 0.00 ATOM 362 C GLY 44 16.866 27.809 11.053 1.00 0.00 ATOM 363 N LYS 45 17.830 26.999 10.638 1.00 0.00 ATOM 364 CA LYS 45 17.515 25.768 9.922 1.00 0.00 ATOM 365 CB LYS 45 18.485 25.600 8.729 1.00 0.00 ATOM 366 CG LYS 45 18.529 26.796 7.796 1.00 0.00 ATOM 367 CD LYS 45 17.270 27.046 6.998 1.00 0.00 ATOM 368 CE LYS 45 17.379 28.254 6.076 1.00 0.00 ATOM 369 NZ LYS 45 17.644 29.509 6.840 1.00 0.00 ATOM 370 O LYS 45 17.986 24.457 11.882 1.00 0.00 ATOM 371 C LYS 45 17.282 24.602 10.881 1.00 0.00 ATOM 372 N ASN 46 16.254 23.755 10.480 1.00 0.00 ATOM 373 CA ASN 46 15.969 22.589 11.311 1.00 0.00 ATOM 374 CB ASN 46 14.604 22.004 10.961 1.00 0.00 ATOM 375 CG ASN 46 14.217 20.868 11.890 1.00 0.00 ATOM 376 ND2 ASN 46 12.917 20.686 12.100 1.00 0.00 ATOM 377 OD1 ASN 46 15.081 20.154 12.404 1.00 0.00 ATOM 378 O ASN 46 17.064 21.092 9.669 1.00 0.00 ATOM 379 C ASN 46 16.986 21.491 10.873 1.00 0.00 ATOM 380 N VAL 47 17.779 21.031 11.849 1.00 0.00 ATOM 381 CA VAL 47 18.802 20.030 11.594 1.00 0.00 ATOM 382 CB VAL 47 20.235 20.596 11.624 1.00 0.00 ATOM 383 CG1 VAL 47 20.413 21.651 10.543 1.00 0.00 ATOM 384 CG2 VAL 47 20.527 21.236 12.973 1.00 0.00 ATOM 385 O VAL 47 18.180 19.035 13.687 1.00 0.00 ATOM 386 C VAL 47 18.751 18.900 12.604 1.00 0.00 ATOM 387 N SER 48 19.377 17.788 12.234 1.00 0.00 ATOM 388 CA SER 48 19.509 16.644 13.124 1.00 0.00 ATOM 389 CB SER 48 18.950 15.383 12.463 1.00 0.00 ATOM 390 OG SER 48 19.122 14.252 13.298 1.00 0.00 ATOM 391 O SER 48 21.779 16.564 12.379 1.00 0.00 ATOM 392 C SER 48 21.012 16.540 13.338 1.00 0.00 ATOM 393 N ILE 49 21.426 16.464 14.595 1.00 0.00 ATOM 394 CA ILE 49 22.837 16.372 14.928 1.00 0.00 ATOM 395 CB ILE 49 23.225 17.440 15.967 1.00 0.00 ATOM 396 CG1 ILE 49 22.978 18.842 15.409 1.00 0.00 ATOM 397 CG2 ILE 49 24.698 17.318 16.330 1.00 0.00 ATOM 398 CD1 ILE 49 23.105 19.941 16.440 1.00 0.00 ATOM 399 O ILE 49 22.487 14.552 16.423 1.00 0.00 ATOM 400 C ILE 49 23.222 15.048 15.574 1.00 0.00 ATOM 401 N THR 50 24.320 14.466 15.110 1.00 0.00 ATOM 402 CA THR 50 24.906 13.336 15.811 1.00 0.00 ATOM 403 CB THR 50 24.505 12.003 15.154 1.00 0.00 ATOM 404 CG2 THR 50 23.016 11.944 14.848 1.00 0.00 ATOM 405 OG1 THR 50 25.198 11.886 13.889 1.00 0.00 ATOM 406 O THR 50 27.091 14.222 15.357 1.00 0.00 ATOM 407 C THR 50 26.413 13.421 16.011 1.00 0.00 ATOM 408 N VAL 51 26.813 12.616 16.965 1.00 0.00 ATOM 409 CA VAL 51 28.237 12.573 17.241 1.00 0.00 ATOM 410 CB VAL 51 28.529 12.686 18.746 1.00 0.00 ATOM 411 CG1 VAL 51 29.994 12.448 19.001 1.00 0.00 ATOM 412 CG2 VAL 51 28.133 14.120 19.224 1.00 0.00 ATOM 413 O VAL 51 28.057 10.167 17.174 1.00 0.00 ATOM 414 C VAL 51 28.735 11.166 16.935 1.00 0.00 ATOM 415 N LYS 52 29.928 11.072 16.380 1.00 0.00 ATOM 416 CA LYS 52 30.548 9.772 16.126 1.00 0.00 ATOM 417 CB LYS 52 31.234 9.724 14.776 1.00 0.00 ATOM 418 CG LYS 52 31.733 8.365 14.443 1.00 0.00 ATOM 419 CD LYS 52 32.665 8.395 13.285 1.00 0.00 ATOM 420 CE LYS 52 32.901 6.999 12.746 1.00 0.00 ATOM 421 NZ LYS 52 33.569 7.096 11.435 1.00 0.00 ATOM 422 O LYS 52 32.538 10.201 17.392 1.00 0.00 ATOM 423 C LYS 52 31.585 9.438 17.211 1.00 0.00 ATOM 424 N GLU 53 31.370 8.273 17.851 1.00 0.00 ATOM 425 CA GLU 53 32.265 7.813 18.907 1.00 0.00 ATOM 426 CB GLU 53 31.564 6.772 19.780 1.00 0.00 ATOM 427 CG GLU 53 30.314 7.287 20.478 1.00 0.00 ATOM 428 CD GLU 53 30.635 8.158 21.677 1.00 0.00 ATOM 429 OE1 GLU 53 31.823 8.240 22.053 1.00 0.00 ATOM 430 OE2 GLU 53 29.696 8.758 22.243 1.00 0.00 ATOM 431 O GLU 53 33.681 7.160 17.144 1.00 0.00 ATOM 432 C GLU 53 33.539 7.175 18.366 1.00 0.00 ATOM 433 N GLU 54 33.061 4.979 17.264 1.00 0.00 ATOM 434 CA GLU 54 32.748 5.169 15.861 1.00 0.00 ATOM 435 CB GLU 54 33.617 4.242 14.999 1.00 0.00 ATOM 436 CG GLU 54 34.944 3.840 15.641 1.00 0.00 ATOM 437 CD GLU 54 34.798 2.725 16.674 1.00 0.00 ATOM 438 OE1 GLU 54 34.352 1.620 16.296 1.00 0.00 ATOM 439 OE2 GLU 54 35.132 2.949 17.862 1.00 0.00 ATOM 440 O GLU 54 30.842 5.267 14.422 1.00 0.00 ATOM 441 C GLU 54 31.257 5.133 15.572 1.00 0.00 ATOM 442 N ASN 55 30.451 4.972 16.618 1.00 0.00 ATOM 443 CA ASN 55 29.006 4.919 16.451 1.00 0.00 ATOM 444 CB ASN 55 28.372 4.159 17.619 1.00 0.00 ATOM 445 CG ASN 55 28.726 2.685 17.615 1.00 0.00 ATOM 446 ND2 ASN 55 28.677 2.062 18.785 1.00 0.00 ATOM 447 OD1 ASN 55 29.041 2.115 16.568 1.00 0.00 ATOM 448 O ASN 55 28.918 7.270 16.938 1.00 0.00 ATOM 449 C ASN 55 28.382 6.311 16.383 1.00 0.00 ATOM 450 N GLU 56 27.313 6.433 15.601 1.00 0.00 ATOM 451 CA GLU 56 26.609 7.698 15.448 1.00 0.00 ATOM 452 CB GLU 56 25.995 7.811 14.050 1.00 0.00 ATOM 453 CG GLU 56 25.239 9.105 13.806 1.00 0.00 ATOM 454 CD GLU 56 24.630 9.174 12.420 1.00 0.00 ATOM 455 OE1 GLU 56 24.799 8.206 11.650 1.00 0.00 ATOM 456 OE2 GLU 56 23.988 10.197 12.103 1.00 0.00 ATOM 457 O GLU 56 24.573 6.949 16.467 1.00 0.00 ATOM 458 C GLU 56 25.487 7.777 16.466 1.00 0.00 ATOM 459 N LEU 57 25.578 8.752 17.361 1.00 0.00 ATOM 460 CA LEU 57 24.571 8.930 18.394 1.00 0.00 ATOM 461 CB LEU 57 25.230 8.878 19.774 1.00 0.00 ATOM 462 CG LEU 57 25.979 7.590 20.119 1.00 0.00 ATOM 463 CD1 LEU 57 26.687 7.721 21.459 1.00 0.00 ATOM 464 CD2 LEU 57 25.020 6.414 20.200 1.00 0.00 ATOM 465 O LEU 57 24.481 11.285 17.974 1.00 0.00 ATOM 466 C LEU 57 23.862 10.268 18.283 1.00 0.00 ATOM 467 N PRO 58 22.556 10.295 18.578 1.00 0.00 ATOM 468 CA PRO 58 21.835 11.564 18.494 1.00 0.00 ATOM 469 CB PRO 58 20.374 11.173 18.723 1.00 0.00 ATOM 470 CG PRO 58 20.445 9.920 19.528 1.00 0.00 ATOM 471 CD PRO 58 21.683 9.200 19.073 1.00 0.00 ATOM 472 O PRO 58 22.523 12.233 20.700 1.00 0.00 ATOM 473 C PRO 58 22.255 12.581 19.549 1.00 0.00 ATOM 474 N VAL 59 22.360 13.835 19.113 1.00 0.00 ATOM 475 CA VAL 59 22.719 14.969 19.970 1.00 0.00 ATOM 476 CB VAL 59 23.861 15.788 19.338 1.00 0.00 ATOM 477 CG1 VAL 59 24.235 16.959 20.234 1.00 0.00 ATOM 478 CG2 VAL 59 25.094 14.918 19.141 1.00 0.00 ATOM 479 O VAL 59 21.140 16.604 19.197 1.00 0.00 ATOM 480 C VAL 59 21.441 15.795 20.077 1.00 0.00 ATOM 481 N LYS 60 20.732 15.647 21.193 1.00 0.00 ATOM 482 CA LYS 60 19.426 16.285 21.366 1.00 0.00 ATOM 483 CB LYS 60 18.332 15.216 21.371 1.00 0.00 ATOM 484 CG LYS 60 18.227 14.431 20.071 1.00 0.00 ATOM 485 CD LYS 60 17.118 13.395 20.144 1.00 0.00 ATOM 486 CE LYS 60 17.125 12.491 18.919 1.00 0.00 ATOM 487 NZ LYS 60 16.005 11.511 18.945 1.00 0.00 ATOM 488 O LYS 60 18.043 17.632 22.770 1.00 0.00 ATOM 489 C LYS 60 19.139 17.101 22.619 1.00 0.00 ATOM 490 N GLY 61 20.135 17.267 23.581 1.00 0.00 ATOM 491 CA GLY 61 19.925 18.040 24.803 1.00 0.00 ATOM 492 O GLY 61 22.322 17.856 24.903 1.00 0.00 ATOM 493 C GLY 61 21.285 18.212 25.474 1.00 0.00 ATOM 494 N VAL 62 21.155 18.799 26.687 1.00 0.00 ATOM 495 CA VAL 62 22.354 19.100 27.473 1.00 0.00 ATOM 496 CB VAL 62 21.795 19.793 28.822 1.00 0.00 ATOM 497 CG1 VAL 62 22.934 19.926 29.843 1.00 0.00 ATOM 498 CG2 VAL 62 21.192 21.166 28.533 1.00 0.00 ATOM 499 O VAL 62 24.443 18.068 27.600 1.00 0.00 ATOM 500 C VAL 62 23.252 17.917 27.725 1.00 0.00 ATOM 501 N GLU 63 22.684 16.718 27.831 1.00 0.00 ATOM 502 CA GLU 63 23.459 15.509 28.139 1.00 0.00 ATOM 503 CB GLU 63 22.555 14.320 28.468 1.00 0.00 ATOM 504 CG GLU 63 21.934 14.377 29.855 1.00 0.00 ATOM 505 CD GLU 63 20.976 13.232 30.111 1.00 0.00 ATOM 506 OE1 GLU 63 20.731 12.439 29.176 1.00 0.00 ATOM 507 OE2 GLU 63 20.469 13.125 31.247 1.00 0.00 ATOM 508 O GLU 63 25.361 14.238 27.419 1.00 0.00 ATOM 509 C GLU 63 24.410 14.951 27.087 1.00 0.00 ATOM 510 N MET 64 24.075 15.336 25.787 1.00 0.00 ATOM 511 CA MET 64 24.925 14.892 24.692 1.00 0.00 ATOM 512 CB MET 64 24.078 14.224 23.607 1.00 0.00 ATOM 513 CG MET 64 23.333 12.986 24.077 1.00 0.00 ATOM 514 SD MET 64 24.441 11.632 24.512 1.00 0.00 ATOM 515 CE MET 64 25.023 11.135 22.894 1.00 0.00 ATOM 516 O MET 64 25.373 17.212 24.530 1.00 0.00 ATOM 517 C MET 64 25.668 16.080 24.136 1.00 0.00 ATOM 518 N ALA 65 26.818 15.839 23.546 1.00 0.00 ATOM 519 CA ALA 65 27.658 16.893 22.998 1.00 0.00 ATOM 520 CB ALA 65 29.117 16.795 23.416 1.00 0.00 ATOM 521 O ALA 65 26.780 16.069 20.919 1.00 0.00 ATOM 522 C ALA 65 27.561 16.843 21.480 1.00 0.00 ATOM 523 N GLY 66 28.241 17.785 20.833 1.00 0.00 ATOM 524 CA GLY 66 28.235 17.850 19.384 1.00 0.00 ATOM 525 O GLY 66 26.619 18.915 18.039 1.00 0.00 ATOM 526 C GLY 66 27.526 19.092 18.882 1.00 0.00 ATOM 527 N ASP 67 15.973 17.011 25.002 1.00 0.00 ATOM 528 CA ASP 67 15.441 16.077 25.985 1.00 0.00 ATOM 529 CB ASP 67 13.985 16.415 26.311 1.00 0.00 ATOM 530 CG ASP 67 13.854 17.678 27.139 1.00 0.00 ATOM 531 OD1 ASP 67 14.888 18.184 27.622 1.00 0.00 ATOM 532 OD2 ASP 67 12.714 18.164 27.305 1.00 0.00 ATOM 533 O ASP 67 15.120 14.320 24.366 1.00 0.00 ATOM 534 C ASP 67 15.480 14.625 25.506 1.00 0.00 ATOM 535 N PRO 68 15.946 13.725 26.393 1.00 0.00 ATOM 536 CA PRO 68 15.920 12.286 26.078 1.00 0.00 ATOM 537 CB PRO 68 16.702 11.661 27.198 1.00 0.00 ATOM 538 CG PRO 68 16.486 12.622 28.372 1.00 0.00 ATOM 539 CD PRO 68 16.568 13.968 27.717 1.00 0.00 ATOM 540 O PRO 68 14.350 10.596 25.483 1.00 0.00 ATOM 541 C PRO 68 14.492 11.724 25.993 1.00 0.00 ATOM 542 N LEU 69 13.498 12.462 26.497 1.00 0.00 ATOM 543 CA LEU 69 12.105 12.028 26.425 1.00 0.00 ATOM 544 CB LEU 69 11.165 13.036 27.104 1.00 0.00 ATOM 545 CG LEU 69 11.229 13.104 28.638 1.00 0.00 ATOM 546 CD1 LEU 69 10.380 14.259 29.172 1.00 0.00 ATOM 547 CD2 LEU 69 10.812 11.767 29.280 1.00 0.00 ATOM 548 O LEU 69 11.091 10.838 24.612 1.00 0.00 ATOM 549 C LEU 69 11.720 11.837 24.967 1.00 0.00 ATOM 550 N GLU 70 12.141 12.817 24.064 1.00 0.00 ATOM 551 CA GLU 70 11.809 12.719 22.644 1.00 0.00 ATOM 552 CB GLU 70 12.162 14.016 21.916 1.00 0.00 ATOM 553 CG GLU 70 11.318 15.190 22.371 1.00 0.00 ATOM 554 CD GLU 70 11.629 16.484 21.648 1.00 0.00 ATOM 555 OE1 GLU 70 12.828 16.829 21.478 1.00 0.00 ATOM 556 OE2 GLU 70 10.658 17.174 21.267 1.00 0.00 ATOM 557 O GLU 70 11.962 10.866 21.094 1.00 0.00 ATOM 558 C GLU 70 12.518 11.526 21.980 1.00 0.00 ATOM 559 N HIS 71 13.749 11.231 22.401 1.00 0.00 ATOM 560 CA HIS 71 14.508 10.124 21.846 1.00 0.00 ATOM 561 CB HIS 71 15.891 10.070 22.422 1.00 0.00 ATOM 562 CG HIS 71 16.773 9.004 21.840 1.00 0.00 ATOM 563 CD2 HIS 71 17.194 7.826 22.350 1.00 0.00 ATOM 564 ND1 HIS 71 17.375 9.130 20.602 1.00 0.00 ATOM 565 CE1 HIS 71 18.106 8.054 20.368 1.00 0.00 ATOM 566 NE2 HIS 71 18.006 7.242 21.407 1.00 0.00 ATOM 567 O HIS 71 13.752 7.903 21.323 1.00 0.00 ATOM 568 C HIS 71 13.826 8.806 22.166 1.00 0.00 ATOM 569 N HIS 72 13.222 8.701 23.376 1.00 0.00 ATOM 570 CA HIS 72 12.506 7.490 23.771 1.00 0.00 ATOM 571 CB HIS 72 12.076 7.554 25.218 1.00 0.00 ATOM 572 CG HIS 72 11.534 6.260 25.742 1.00 0.00 ATOM 573 CD2 HIS 72 10.335 5.949 26.293 1.00 0.00 ATOM 574 ND1 HIS 72 12.267 5.093 25.738 1.00 0.00 ATOM 575 CE1 HIS 72 11.544 4.118 26.264 1.00 0.00 ATOM 576 NE2 HIS 72 10.368 4.612 26.608 1.00 0.00 ATOM 577 O HIS 72 10.971 6.050 22.608 1.00 0.00 ATOM 578 C HIS 72 11.284 7.207 22.915 1.00 0.00 ATOM 579 N HIS 73 10.584 8.256 22.513 1.00 0.00 ATOM 580 CA HIS 73 9.379 8.097 21.700 1.00 0.00 ATOM 581 CB HIS 73 8.627 9.439 21.498 1.00 0.00 ATOM 582 CG HIS 73 8.232 10.130 22.759 1.00 0.00 ATOM 583 CD2 HIS 73 8.390 11.427 23.147 1.00 0.00 ATOM 584 ND1 HIS 73 7.582 9.486 23.794 1.00 0.00 ATOM 585 CE1 HIS 73 7.353 10.362 24.765 1.00 0.00 ATOM 586 NE2 HIS 73 7.828 11.545 24.397 1.00 0.00 ATOM 587 O HIS 73 9.024 6.538 19.895 1.00 0.00 ATOM 588 C HIS 73 9.706 7.462 20.347 1.00 0.00 ATOM 589 N HIS 74 10.798 8.046 19.569 1.00 0.00 ATOM 590 CA HIS 74 11.193 7.547 18.288 1.00 0.00 ATOM 591 CB HIS 74 11.734 8.686 17.415 1.00 0.00 ATOM 592 CG HIS 74 10.763 9.786 17.191 1.00 0.00 ATOM 593 CD2 HIS 74 10.643 10.995 17.799 1.00 0.00 ATOM 594 ND1 HIS 74 9.750 9.656 16.259 1.00 0.00 ATOM 595 CE1 HIS 74 9.067 10.771 16.304 1.00 0.00 ATOM 596 NE2 HIS 74 9.559 11.590 17.216 1.00 0.00 ATOM 597 O HIS 74 12.383 5.689 17.376 1.00 0.00 ATOM 598 C HIS 74 12.209 6.408 18.363 1.00 0.00 ATOM 599 N HIS 75 12.847 6.204 19.523 1.00 0.00 ATOM 600 CA HIS 75 13.992 5.312 19.618 1.00 0.00 ATOM 601 CB HIS 75 15.311 6.138 19.702 1.00 0.00 ATOM 602 CG HIS 75 15.462 6.902 18.396 1.00 0.00 ATOM 603 CD2 HIS 75 15.148 8.198 18.142 1.00 0.00 ATOM 604 ND1 HIS 75 15.901 6.289 17.250 1.00 0.00 ATOM 605 CE1 HIS 75 15.847 7.220 16.314 1.00 0.00 ATOM 606 NE2 HIS 75 15.390 8.381 16.794 1.00 0.00 ATOM 607 O HIS 75 13.211 4.755 21.827 1.00 0.00 ATOM 608 C HIS 75 13.918 4.448 20.848 1.00 0.00 ATOM 609 N HIS 76 14.648 3.318 20.801 1.00 0.00 ATOM 610 CA HIS 76 14.819 2.411 21.931 1.00 0.00 ATOM 611 CB HIS 76 15.693 1.245 21.508 1.00 0.00 ATOM 612 CG HIS 76 17.119 1.587 21.282 1.00 0.00 ATOM 613 CD2 HIS 76 17.735 2.287 20.326 1.00 0.00 ATOM 614 ND1 HIS 76 18.081 1.143 22.177 1.00 0.00 ATOM 615 CE1 HIS 76 19.242 1.603 21.723 1.00 0.00 ATOM 616 NE2 HIS 76 19.076 2.317 20.600 1.00 0.00 ATOM 617 O HIS 76 15.901 4.310 23.052 1.00 0.00 ATOM 618 C HIS 76 15.496 3.134 23.114 1.00 0.00 TER END