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 4 Tue Jul 4 17:25:41 2006 MODEL 4 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 43.018 10.453 24.915 1.00 0.00 ATOM 2 CA MET 1 42.584 11.400 25.968 1.00 0.00 ATOM 3 CB MET 1 41.644 10.634 26.968 1.00 0.00 ATOM 4 CG MET 1 41.039 11.462 28.104 1.00 0.00 ATOM 5 SD MET 1 40.302 13.186 27.556 1.00 0.00 ATOM 6 CE MET 1 38.805 12.574 26.466 1.00 0.00 ATOM 7 O MET 1 44.840 11.735 26.573 1.00 0.00 ATOM 8 C MET 1 43.754 12.275 26.416 1.00 0.00 ATOM 9 N ALA 2 43.532 13.562 26.566 1.00 0.00 ATOM 10 CA ALA 2 44.629 14.471 27.008 1.00 0.00 ATOM 11 CB ALA 2 45.316 15.083 25.796 1.00 0.00 ATOM 12 O ALA 2 42.846 15.722 28.004 1.00 0.00 ATOM 13 C ALA 2 44.048 15.599 27.862 1.00 0.00 ATOM 14 N SER 3 44.890 16.363 28.524 1.00 0.00 ATOM 15 CA SER 3 44.404 17.448 29.357 1.00 0.00 ATOM 16 CB SER 3 45.572 18.179 30.022 1.00 0.00 ATOM 17 OG SER 3 46.370 18.843 29.058 1.00 0.00 ATOM 18 O SER 3 42.525 18.889 28.953 1.00 0.00 ATOM 19 C SER 3 43.573 18.410 28.509 1.00 0.00 ATOM 20 N LYS 4 44.005 18.641 27.277 1.00 0.00 ATOM 21 CA LYS 4 43.273 19.531 26.374 1.00 0.00 ATOM 22 CB LYS 4 43.972 19.666 25.077 1.00 0.00 ATOM 23 CG LYS 4 45.254 20.490 25.230 1.00 0.00 ATOM 24 CD LYS 4 45.874 20.854 23.880 1.00 0.00 ATOM 25 CE LYS 4 47.021 21.860 24.015 1.00 0.00 ATOM 26 NZ LYS 4 47.637 22.083 22.708 1.00 0.00 ATOM 27 O LYS 4 40.881 19.570 26.017 1.00 0.00 ATOM 28 C LYS 4 41.924 18.883 26.027 1.00 0.00 ATOM 29 N LYS 5 41.970 17.624 25.671 1.00 0.00 ATOM 30 CA LYS 5 40.760 16.885 25.283 1.00 0.00 ATOM 31 CB LYS 5 41.166 15.511 24.705 1.00 0.00 ATOM 32 CG LYS 5 41.726 15.603 23.316 1.00 0.00 ATOM 33 CD LYS 5 42.068 14.240 22.775 1.00 0.00 ATOM 34 CE LYS 5 42.543 14.338 21.336 1.00 0.00 ATOM 35 NZ LYS 5 42.990 13.016 20.816 1.00 0.00 ATOM 36 O LYS 5 38.556 16.659 26.200 1.00 0.00 ATOM 37 C LYS 5 39.761 16.737 26.424 1.00 0.00 ATOM 38 N VAL 6 40.271 16.660 27.646 1.00 0.00 ATOM 39 CA VAL 6 39.419 16.516 28.822 1.00 0.00 ATOM 40 CB VAL 6 40.372 16.398 30.113 1.00 0.00 ATOM 41 CG1 VAL 6 39.551 16.517 31.393 1.00 0.00 ATOM 42 CG2 VAL 6 41.124 15.072 30.118 1.00 0.00 ATOM 43 O VAL 6 37.259 17.419 29.339 1.00 0.00 ATOM 44 C VAL 6 38.408 17.652 28.963 1.00 0.00 ATOM 45 N HIS 7 38.817 18.867 28.615 1.00 0.00 ATOM 46 CA HIS 7 37.942 20.023 28.754 1.00 0.00 ATOM 47 CB HIS 7 38.674 21.180 29.440 1.00 0.00 ATOM 48 CG HIS 7 39.105 20.873 30.840 1.00 0.00 ATOM 49 CD2 HIS 7 40.374 20.586 31.496 1.00 0.00 ATOM 50 ND1 HIS 7 38.220 20.807 31.893 1.00 0.00 ATOM 51 CE1 HIS 7 38.900 20.516 33.019 1.00 0.00 ATOM 52 NE2 HIS 7 40.192 20.382 32.787 1.00 0.00 ATOM 53 O HIS 7 37.007 21.767 27.417 1.00 0.00 ATOM 54 C HIS 7 37.399 20.604 27.459 1.00 0.00 ATOM 55 N GLN 8 37.625 19.791 26.308 1.00 0.00 ATOM 56 CA GLN 8 37.198 20.305 25.011 1.00 0.00 ATOM 57 CB GLN 8 38.445 20.463 24.091 1.00 0.00 ATOM 58 CG GLN 8 39.491 21.454 24.550 1.00 0.00 ATOM 59 CD GLN 8 39.265 22.830 23.970 1.00 0.00 ATOM 60 OE1 GLN 8 38.671 22.973 22.904 1.00 0.00 ATOM 61 NE2 GLN 8 39.765 23.854 24.655 1.00 0.00 ATOM 62 O GLN 8 36.119 18.212 24.574 1.00 0.00 ATOM 63 C GLN 8 36.092 19.430 24.435 1.00 0.00 ATOM 64 N ILE 9 35.118 20.063 23.791 1.00 0.00 ATOM 65 CA ILE 9 34.027 19.334 23.162 1.00 0.00 ATOM 66 CB ILE 9 32.658 19.985 23.436 1.00 0.00 ATOM 67 CG1 ILE 9 32.372 20.008 24.940 1.00 0.00 ATOM 68 CG2 ILE 9 31.549 19.206 22.747 1.00 0.00 ATOM 69 CD1 ILE 9 31.152 20.821 25.317 1.00 0.00 ATOM 70 O ILE 9 34.355 20.394 21.055 1.00 0.00 ATOM 71 C ILE 9 34.318 19.315 21.665 1.00 0.00 ATOM 72 N ASN 10 34.606 18.140 21.133 1.00 0.00 ATOM 73 CA ASN 10 34.943 18.047 19.700 1.00 0.00 ATOM 74 CB ASN 10 35.674 16.735 19.599 1.00 0.00 ATOM 75 CG ASN 10 36.137 16.657 18.156 1.00 0.00 ATOM 76 ND2 ASN 10 36.895 15.606 17.850 1.00 0.00 ATOM 77 OD1 ASN 10 35.843 17.515 17.333 1.00 0.00 ATOM 78 O ASN 10 33.067 16.608 19.321 1.00 0.00 ATOM 79 C ASN 10 33.649 17.645 19.005 1.00 0.00 ATOM 80 N VAL 11 33.215 18.454 18.044 1.00 0.00 ATOM 81 CA VAL 11 31.962 18.209 17.348 1.00 0.00 ATOM 82 CB VAL 11 30.915 19.319 17.639 1.00 0.00 ATOM 83 CG1 VAL 11 29.581 18.960 16.998 1.00 0.00 ATOM 84 CG2 VAL 11 30.763 19.615 19.105 1.00 0.00 ATOM 85 O VAL 11 32.555 18.983 15.172 1.00 0.00 ATOM 86 C VAL 11 32.049 18.082 15.846 1.00 0.00 ATOM 87 N LYS 12 31.509 16.959 15.355 1.00 0.00 ATOM 88 CA LYS 12 31.426 16.633 13.937 1.00 0.00 ATOM 89 CB LYS 12 32.223 15.372 13.692 1.00 0.00 ATOM 90 CG LYS 12 32.120 14.880 12.270 1.00 0.00 ATOM 91 CD LYS 12 32.754 13.519 12.130 1.00 0.00 ATOM 92 CE LYS 12 32.610 12.995 10.718 1.00 0.00 ATOM 93 NZ LYS 12 33.192 11.633 10.574 1.00 0.00 ATOM 94 O LYS 12 29.167 15.956 14.357 1.00 0.00 ATOM 95 C LYS 12 29.919 16.700 13.730 1.00 0.00 ATOM 96 N GLY 13 29.512 17.692 12.842 1.00 0.00 ATOM 97 CA GLY 13 28.095 17.857 12.579 1.00 0.00 ATOM 98 O GLY 13 28.424 18.206 10.230 1.00 0.00 ATOM 99 C GLY 13 27.754 17.671 11.112 1.00 0.00 ATOM 100 N PHE 14 26.703 16.895 10.862 1.00 0.00 ATOM 101 CA PHE 14 26.240 16.620 9.509 1.00 0.00 ATOM 102 CB PHE 14 25.862 15.146 9.403 1.00 0.00 ATOM 103 CG PHE 14 27.049 14.218 9.550 1.00 0.00 ATOM 104 CD1 PHE 14 27.596 13.583 8.438 1.00 0.00 ATOM 105 CD2 PHE 14 27.619 13.989 10.800 1.00 0.00 ATOM 106 CE1 PHE 14 28.692 12.732 8.569 1.00 0.00 ATOM 107 CE2 PHE 14 28.718 13.138 10.939 1.00 0.00 ATOM 108 CZ PHE 14 29.252 12.511 9.821 1.00 0.00 ATOM 109 O PHE 14 24.006 17.305 10.025 1.00 0.00 ATOM 110 C PHE 14 24.954 17.391 9.249 1.00 0.00 ATOM 111 N PHE 15 24.937 18.148 8.158 1.00 0.00 ATOM 112 CA PHE 15 23.755 18.910 7.763 1.00 0.00 ATOM 113 CB PHE 15 23.988 20.428 7.984 1.00 0.00 ATOM 114 CG PHE 15 24.742 20.739 9.260 1.00 0.00 ATOM 115 CD1 PHE 15 26.106 20.512 9.338 1.00 0.00 ATOM 116 CD2 PHE 15 24.078 21.186 10.374 1.00 0.00 ATOM 117 CE1 PHE 15 26.827 20.704 10.489 1.00 0.00 ATOM 118 CE2 PHE 15 24.759 21.403 11.585 1.00 0.00 ATOM 119 CZ PHE 15 26.144 21.168 11.649 1.00 0.00 ATOM 120 O PHE 15 24.125 19.052 5.403 1.00 0.00 ATOM 121 C PHE 15 23.468 18.553 6.318 1.00 0.00 ATOM 122 N ASP 16 22.470 17.697 6.123 1.00 0.00 ATOM 123 CA ASP 16 22.113 17.228 4.793 1.00 0.00 ATOM 124 CB ASP 16 21.913 18.398 3.825 1.00 0.00 ATOM 125 CG ASP 16 20.757 19.292 4.224 1.00 0.00 ATOM 126 OD1 ASP 16 19.670 18.757 4.527 1.00 0.00 ATOM 127 OD2 ASP 16 20.937 20.527 4.232 1.00 0.00 ATOM 128 O ASP 16 23.466 15.262 4.844 1.00 0.00 ATOM 129 C ASP 16 23.251 16.346 4.304 1.00 0.00 ATOM 130 N MET 17 24.031 16.843 3.350 1.00 0.00 ATOM 131 CA MET 17 25.139 16.071 2.810 1.00 0.00 ATOM 132 CB MET 17 24.689 15.611 1.354 1.00 0.00 ATOM 133 CG MET 17 23.428 14.735 1.337 1.00 0.00 ATOM 134 SD MET 17 23.533 13.312 2.466 1.00 0.00 ATOM 135 CE MET 17 24.865 12.389 1.689 1.00 0.00 ATOM 136 O MET 17 27.516 15.895 3.016 1.00 0.00 ATOM 137 C MET 17 26.512 16.569 3.254 1.00 0.00 ATOM 138 N ASP 18 26.455 17.791 3.938 1.00 0.00 ATOM 139 CA ASP 18 27.734 18.363 4.371 1.00 0.00 ATOM 140 CB ASP 18 27.670 19.892 4.353 1.00 0.00 ATOM 141 CG ASP 18 27.681 20.459 2.947 1.00 0.00 ATOM 142 OD1 ASP 18 27.950 19.690 1.999 1.00 0.00 ATOM 143 OD2 ASP 18 27.423 21.671 2.792 1.00 0.00 ATOM 144 O ASP 18 27.285 17.752 6.650 1.00 0.00 ATOM 145 C ASP 18 28.135 18.005 5.793 1.00 0.00 ATOM 146 N VAL 19 29.461 18.059 6.029 1.00 0.00 ATOM 147 CA VAL 19 29.968 17.802 7.373 1.00 0.00 ATOM 148 CB VAL 19 30.769 16.487 7.398 1.00 0.00 ATOM 149 CG1 VAL 19 31.316 16.225 8.793 1.00 0.00 ATOM 150 CG2 VAL 19 29.882 15.316 7.001 1.00 0.00 ATOM 151 O VAL 19 31.560 19.564 6.946 1.00 0.00 ATOM 152 C VAL 19 30.837 19.009 7.780 1.00 0.00 ATOM 153 N MET 20 30.710 19.424 9.026 1.00 0.00 ATOM 154 CA MET 20 31.567 20.480 9.613 1.00 0.00 ATOM 155 CB MET 20 30.791 21.796 9.770 1.00 0.00 ATOM 156 CG MET 20 30.411 22.517 8.491 1.00 0.00 ATOM 157 SD MET 20 29.555 24.066 8.869 1.00 0.00 ATOM 158 CE MET 20 28.044 23.442 9.494 1.00 0.00 ATOM 159 O MET 20 31.492 19.347 11.734 1.00 0.00 ATOM 160 C MET 20 32.157 20.017 10.937 1.00 0.00 ATOM 161 N GLU 21 33.430 20.329 11.143 1.00 0.00 ATOM 162 CA GLU 21 34.130 19.940 12.358 1.00 0.00 ATOM 163 CB GLU 21 35.188 18.880 12.054 1.00 0.00 ATOM 164 CG GLU 21 34.643 17.591 11.493 1.00 0.00 ATOM 165 CD GLU 21 35.663 16.515 11.308 1.00 0.00 ATOM 166 OE1 GLU 21 36.723 16.795 10.750 1.00 0.00 ATOM 167 OE2 GLU 21 35.407 15.380 11.739 1.00 0.00 ATOM 168 O GLU 21 35.364 22.003 12.465 1.00 0.00 ATOM 169 C GLU 21 34.713 21.156 13.087 1.00 0.00 ATOM 170 N VAL 22 34.322 21.088 14.463 1.00 0.00 ATOM 171 CA VAL 22 34.829 22.208 15.264 1.00 0.00 ATOM 172 CB VAL 22 33.809 23.363 15.235 1.00 0.00 ATOM 173 CG1 VAL 22 33.668 23.913 13.824 1.00 0.00 ATOM 174 CG2 VAL 22 32.444 22.881 15.703 1.00 0.00 ATOM 175 O VAL 22 34.870 20.552 16.987 1.00 0.00 ATOM 176 C VAL 22 35.081 21.727 16.679 1.00 0.00 ATOM 177 N THR 23 35.640 22.602 17.505 1.00 0.00 ATOM 178 CA THR 23 35.896 22.247 18.891 1.00 0.00 ATOM 179 CB THR 23 37.280 21.557 19.052 1.00 0.00 ATOM 180 CG2 THR 23 38.428 22.499 18.725 1.00 0.00 ATOM 181 OG1 THR 23 37.482 21.194 20.419 1.00 0.00 ATOM 182 O THR 23 36.246 24.527 19.326 1.00 0.00 ATOM 183 C THR 23 35.801 23.472 19.755 1.00 0.00 ATOM 184 N GLU 24 35.246 23.282 21.016 1.00 0.00 ATOM 185 CA GLU 24 35.198 24.465 21.899 1.00 0.00 ATOM 186 CB GLU 24 33.871 25.209 21.727 1.00 0.00 ATOM 187 CG GLU 24 33.654 25.780 20.334 1.00 0.00 ATOM 188 CD GLU 24 32.339 26.524 20.209 1.00 0.00 ATOM 189 OE1 GLU 24 31.578 26.555 21.197 1.00 0.00 ATOM 190 OE2 GLU 24 32.073 27.076 19.119 1.00 0.00 ATOM 191 O GLU 24 34.886 22.837 23.622 1.00 0.00 ATOM 192 C GLU 24 35.301 23.957 23.321 1.00 0.00 ATOM 193 N GLN 25 35.857 24.777 24.220 1.00 0.00 ATOM 194 CA GLN 25 35.987 24.358 25.615 1.00 0.00 ATOM 195 CB GLN 25 36.617 25.473 26.451 1.00 0.00 ATOM 196 CG GLN 25 36.905 25.082 27.892 1.00 0.00 ATOM 197 CD GLN 25 37.615 26.177 28.664 1.00 0.00 ATOM 198 OE1 GLN 25 37.888 27.249 28.125 1.00 0.00 ATOM 199 NE2 GLN 25 37.913 25.908 29.929 1.00 0.00 ATOM 200 O GLN 25 33.632 24.675 25.905 1.00 0.00 ATOM 201 C GLN 25 34.622 24.005 26.190 1.00 0.00 ATOM 202 N THR 26 34.564 22.926 26.959 1.00 0.00 ATOM 203 CA THR 26 33.316 22.498 27.572 1.00 0.00 ATOM 204 CB THR 26 33.424 21.383 28.520 1.00 0.00 ATOM 205 CG2 THR 26 33.956 20.168 27.782 1.00 0.00 ATOM 206 OG1 THR 26 34.312 21.699 29.600 1.00 0.00 ATOM 207 O THR 26 31.604 23.897 28.510 1.00 0.00 ATOM 208 C THR 26 32.799 23.596 28.493 1.00 0.00 ATOM 209 N LYS 27 33.856 24.167 29.239 1.00 0.00 ATOM 210 CA LYS 27 33.529 25.239 30.174 1.00 0.00 ATOM 211 CB LYS 27 34.748 25.595 31.027 1.00 0.00 ATOM 212 CG LYS 27 35.207 24.480 31.950 1.00 0.00 ATOM 213 CD LYS 27 36.398 24.912 32.790 1.00 0.00 ATOM 214 CE LYS 27 36.859 23.796 33.712 1.00 0.00 ATOM 215 NZ LYS 27 38.032 24.202 34.534 1.00 0.00 ATOM 216 O LYS 27 32.673 27.473 30.126 1.00 0.00 ATOM 217 C LYS 27 33.054 26.502 29.470 1.00 0.00 ATOM 218 N GLU 28 33.136 26.519 28.142 1.00 0.00 ATOM 219 CA GLU 28 32.702 27.681 27.374 1.00 0.00 ATOM 220 CB GLU 28 33.840 28.258 26.481 1.00 0.00 ATOM 221 CG GLU 28 35.039 28.589 27.321 1.00 0.00 ATOM 222 CD GLU 28 35.748 29.831 26.840 1.00 0.00 ATOM 223 OE1 GLU 28 35.508 30.934 27.339 1.00 0.00 ATOM 224 OE2 GLU 28 36.493 29.651 25.887 1.00 0.00 ATOM 225 O GLU 28 30.681 28.553 26.418 1.00 0.00 ATOM 226 C GLU 28 31.241 27.587 26.935 1.00 0.00 ATOM 227 N ALA 29 30.647 26.398 27.162 1.00 0.00 ATOM 228 CA ALA 29 29.249 26.192 26.791 1.00 0.00 ATOM 229 CB ALA 29 28.831 24.736 27.018 1.00 0.00 ATOM 230 O ALA 29 28.386 26.973 28.899 1.00 0.00 ATOM 231 C ALA 29 28.336 27.027 27.665 1.00 0.00 ATOM 232 N GLU 30 27.400 27.790 26.960 1.00 0.00 ATOM 233 CA GLU 30 26.390 28.573 27.667 1.00 0.00 ATOM 234 CB GLU 30 25.967 29.782 26.832 1.00 0.00 ATOM 235 CG GLU 30 27.071 30.804 26.617 1.00 0.00 ATOM 236 CD GLU 30 26.614 31.989 25.788 1.00 0.00 ATOM 237 OE1 GLU 30 25.429 32.018 25.394 1.00 0.00 ATOM 238 OE2 GLU 30 27.442 32.890 25.534 1.00 0.00 ATOM 239 O GLU 30 24.795 27.434 29.119 1.00 0.00 ATOM 240 C GLU 30 25.168 27.679 27.951 1.00 0.00 ATOM 241 N TYR 31 24.633 27.052 26.907 1.00 0.00 ATOM 242 CA TYR 31 23.529 26.114 27.071 1.00 0.00 ATOM 243 CB TYR 31 22.289 26.861 27.565 1.00 0.00 ATOM 244 CG TYR 31 21.912 28.051 26.712 1.00 0.00 ATOM 245 CD1 TYR 31 21.137 27.892 25.571 1.00 0.00 ATOM 246 CD2 TYR 31 22.330 29.331 27.052 1.00 0.00 ATOM 247 CE1 TYR 31 20.786 28.973 24.785 1.00 0.00 ATOM 248 CE2 TYR 31 21.991 30.424 26.279 1.00 0.00 ATOM 249 CZ TYR 31 21.213 30.235 25.138 1.00 0.00 ATOM 250 OH TYR 31 20.865 31.315 24.357 1.00 0.00 ATOM 251 O TYR 31 23.854 25.544 24.774 1.00 0.00 ATOM 252 C TYR 31 23.174 25.394 25.789 1.00 0.00 ATOM 253 N THR 32 22.112 24.599 25.845 1.00 0.00 ATOM 254 CA THR 32 21.658 23.835 24.694 1.00 0.00 ATOM 255 CB THR 32 20.450 22.922 25.140 1.00 0.00 ATOM 256 CG2 THR 32 19.903 22.120 23.964 1.00 0.00 ATOM 257 OG1 THR 32 20.905 21.995 26.130 1.00 0.00 ATOM 258 O THR 32 21.565 24.441 22.378 1.00 0.00 ATOM 259 C THR 32 21.208 24.710 23.525 1.00 0.00 ATOM 260 N TYR 33 20.373 25.790 23.791 1.00 0.00 ATOM 261 CA TYR 33 19.936 26.706 22.739 1.00 0.00 ATOM 262 CB TYR 33 19.244 27.886 23.293 1.00 0.00 ATOM 263 CG TYR 33 18.790 28.890 22.262 1.00 0.00 ATOM 264 CD1 TYR 33 17.532 28.792 21.682 1.00 0.00 ATOM 265 CD2 TYR 33 19.610 29.946 21.883 1.00 0.00 ATOM 266 CE1 TYR 33 17.104 29.720 20.745 1.00 0.00 ATOM 267 CE2 TYR 33 19.191 30.879 20.944 1.00 0.00 ATOM 268 CZ TYR 33 17.936 30.754 20.381 1.00 0.00 ATOM 269 OH TYR 33 17.504 31.676 19.445 1.00 0.00 ATOM 270 O TYR 33 21.172 27.083 20.718 1.00 0.00 ATOM 271 C TYR 33 21.124 27.220 21.939 1.00 0.00 ATOM 272 N ASP 34 22.116 27.748 22.645 1.00 0.00 ATOM 273 CA ASP 34 23.308 28.288 22.010 1.00 0.00 ATOM 274 CB ASP 34 24.231 28.915 23.056 1.00 0.00 ATOM 275 CG ASP 34 25.423 29.619 22.437 1.00 0.00 ATOM 276 OD1 ASP 34 25.210 30.588 21.677 1.00 0.00 ATOM 277 OD2 ASP 34 26.567 29.202 22.710 1.00 0.00 ATOM 278 O ASP 34 24.613 27.471 20.177 1.00 0.00 ATOM 279 C ASP 34 24.121 27.225 21.277 1.00 0.00 ATOM 280 N PHE 35 24.294 26.060 21.882 1.00 0.00 ATOM 281 CA PHE 35 25.043 24.998 21.225 1.00 0.00 ATOM 282 CB PHE 35 25.236 23.732 21.942 1.00 0.00 ATOM 283 CG PHE 35 26.512 23.646 22.679 1.00 0.00 ATOM 284 CD1 PHE 35 27.167 24.807 23.109 1.00 0.00 ATOM 285 CD2 PHE 35 27.074 22.431 22.979 1.00 0.00 ATOM 286 CE1 PHE 35 28.328 24.763 23.819 1.00 0.00 ATOM 287 CE2 PHE 35 28.293 22.339 23.656 1.00 0.00 ATOM 288 CZ PHE 35 28.881 23.533 24.096 1.00 0.00 ATOM 289 O PHE 35 25.024 24.390 18.890 1.00 0.00 ATOM 290 C PHE 35 24.362 24.600 19.915 1.00 0.00 ATOM 291 N LYS 36 23.038 24.497 19.944 1.00 0.00 ATOM 292 CA LYS 36 22.285 24.141 18.749 1.00 0.00 ATOM 293 CB LYS 36 20.789 24.075 19.058 1.00 0.00 ATOM 294 CG LYS 36 19.927 23.667 17.875 1.00 0.00 ATOM 295 CD LYS 36 18.463 23.548 18.272 1.00 0.00 ATOM 296 CE LYS 36 17.598 23.166 17.082 1.00 0.00 ATOM 297 NZ LYS 36 16.161 23.060 17.452 1.00 0.00 ATOM 298 O LYS 36 22.680 24.845 16.491 1.00 0.00 ATOM 299 C LYS 36 22.517 25.184 17.664 1.00 0.00 ATOM 300 N GLU 37 22.526 26.455 18.067 1.00 0.00 ATOM 301 CA GLU 37 22.723 27.533 17.109 1.00 0.00 ATOM 302 CB GLU 37 22.590 28.893 17.794 1.00 0.00 ATOM 303 CG GLU 37 22.726 30.079 16.853 1.00 0.00 ATOM 304 CD GLU 37 22.528 31.406 17.556 1.00 0.00 ATOM 305 OE1 GLU 37 22.267 31.400 18.777 1.00 0.00 ATOM 306 OE2 GLU 37 22.636 32.455 16.886 1.00 0.00 ATOM 307 O GLU 37 24.270 27.604 15.272 1.00 0.00 ATOM 308 C GLU 37 24.114 27.441 16.482 1.00 0.00 ATOM 309 N ILE 38 25.117 27.153 17.308 1.00 0.00 ATOM 310 CA ILE 38 26.483 27.020 16.823 1.00 0.00 ATOM 311 CB ILE 38 27.459 26.752 18.020 1.00 0.00 ATOM 312 CG1 ILE 38 27.513 28.000 18.916 1.00 0.00 ATOM 313 CG2 ILE 38 28.873 26.413 17.531 1.00 0.00 ATOM 314 CD1 ILE 38 28.276 27.804 20.204 1.00 0.00 ATOM 315 O ILE 38 27.312 25.988 14.813 1.00 0.00 ATOM 316 C ILE 38 26.572 25.893 15.801 1.00 0.00 ATOM 317 N LEU 39 25.807 24.853 16.062 1.00 0.00 ATOM 318 CA LEU 39 25.791 23.735 15.156 1.00 0.00 ATOM 319 CB LEU 39 25.374 22.458 15.888 1.00 0.00 ATOM 320 CG LEU 39 26.314 21.972 16.995 1.00 0.00 ATOM 321 CD1 LEU 39 25.726 20.763 17.705 1.00 0.00 ATOM 322 CD2 LEU 39 27.662 21.574 16.415 1.00 0.00 ATOM 323 O LEU 39 25.026 23.159 12.953 1.00 0.00 ATOM 324 C LEU 39 24.870 23.864 13.948 1.00 0.00 ATOM 325 N SER 40 24.022 24.841 13.948 1.00 0.00 ATOM 326 CA SER 40 23.061 25.084 12.875 1.00 0.00 ATOM 327 CB SER 40 21.647 25.171 13.453 1.00 0.00 ATOM 328 OG SER 40 21.541 26.234 14.386 1.00 0.00 ATOM 329 O SER 40 22.245 26.851 11.405 1.00 0.00 ATOM 330 C SER 40 23.212 26.360 12.023 1.00 0.00 ATOM 331 N GLU 41 24.290 26.980 12.380 1.00 0.00 ATOM 332 CA GLU 41 24.554 28.226 11.649 1.00 0.00 ATOM 333 CB GLU 41 25.743 28.990 12.303 1.00 0.00 ATOM 334 CG GLU 41 25.646 29.158 13.814 1.00 0.00 ATOM 335 CD GLU 41 26.725 30.066 14.384 1.00 0.00 ATOM 336 OE1 GLU 41 27.884 29.994 13.918 1.00 0.00 ATOM 337 OE2 GLU 41 26.412 30.840 15.312 1.00 0.00 ATOM 338 O GLU 41 25.445 27.081 9.914 1.00 0.00 ATOM 339 C GLU 41 24.733 28.063 10.156 1.00 0.00 ATOM 340 N PHE 42 23.163 27.511 9.197 1.00 0.00 ATOM 341 CA PHE 42 22.196 26.535 8.715 1.00 0.00 ATOM 342 CB PHE 42 22.823 25.141 8.664 1.00 0.00 ATOM 343 CG PHE 42 23.918 25.004 7.643 1.00 0.00 ATOM 344 CD1 PHE 42 25.246 25.119 8.013 1.00 0.00 ATOM 345 CD2 PHE 42 23.617 24.764 6.313 1.00 0.00 ATOM 346 CE1 PHE 42 26.253 24.993 7.074 1.00 0.00 ATOM 347 CE2 PHE 42 24.624 24.639 5.376 1.00 0.00 ATOM 348 CZ PHE 42 25.937 24.753 5.750 1.00 0.00 ATOM 349 O PHE 42 20.597 25.363 10.063 1.00 0.00 ATOM 350 C PHE 42 20.957 26.443 9.597 1.00 0.00 ATOM 351 N ASN 43 20.353 27.588 9.945 1.00 0.00 ATOM 352 CA ASN 43 19.161 27.479 10.788 1.00 0.00 ATOM 353 CB ASN 43 18.603 28.867 11.109 1.00 0.00 ATOM 354 CG ASN 43 19.499 29.652 12.047 1.00 0.00 ATOM 355 ND2 ASN 43 19.372 30.973 12.018 1.00 0.00 ATOM 356 OD1 ASN 43 20.292 29.074 12.790 1.00 0.00 ATOM 357 O ASN 43 17.793 26.876 8.891 1.00 0.00 ATOM 358 C ASN 43 18.052 26.685 10.082 1.00 0.00 ATOM 359 N GLY 44 17.364 25.843 10.843 1.00 0.00 ATOM 360 CA GLY 44 16.283 25.040 10.294 1.00 0.00 ATOM 361 O GLY 44 15.865 22.848 9.436 1.00 0.00 ATOM 362 C GLY 44 16.700 23.723 9.656 1.00 0.00 ATOM 363 N LYS 45 17.999 23.520 9.473 1.00 0.00 ATOM 364 CA LYS 45 18.483 22.295 8.846 1.00 0.00 ATOM 365 CB LYS 45 19.897 22.504 8.301 1.00 0.00 ATOM 366 CG LYS 45 19.999 23.580 7.232 1.00 0.00 ATOM 367 CD LYS 45 19.227 23.191 5.982 1.00 0.00 ATOM 368 CE LYS 45 19.370 24.246 4.896 1.00 0.00 ATOM 369 NZ LYS 45 18.592 23.892 3.675 1.00 0.00 ATOM 370 O LYS 45 19.221 21.140 10.817 1.00 0.00 ATOM 371 C LYS 45 18.573 21.082 9.768 1.00 0.00 ATOM 372 N ASN 46 18.025 19.956 9.321 1.00 0.00 ATOM 373 CA ASN 46 18.104 18.724 10.101 1.00 0.00 ATOM 374 CB ASN 46 16.950 17.774 9.695 1.00 0.00 ATOM 375 CG ASN 46 16.887 16.521 10.549 1.00 0.00 ATOM 376 ND2 ASN 46 16.597 16.680 11.841 1.00 0.00 ATOM 377 OD1 ASN 46 17.170 15.433 10.072 1.00 0.00 ATOM 378 O ASN 46 20.131 18.083 9.016 1.00 0.00 ATOM 379 C ASN 46 19.558 18.273 10.081 1.00 0.00 ATOM 380 N VAL 47 20.126 18.019 11.252 1.00 0.00 ATOM 381 CA VAL 47 21.517 17.586 11.331 1.00 0.00 ATOM 382 CB VAL 47 22.433 18.768 11.780 1.00 0.00 ATOM 383 CG1 VAL 47 22.215 19.969 10.888 1.00 0.00 ATOM 384 CG2 VAL 47 22.132 19.121 13.223 1.00 0.00 ATOM 385 O VAL 47 20.853 16.228 13.194 1.00 0.00 ATOM 386 C VAL 47 21.710 16.472 12.342 1.00 0.00 ATOM 387 N SER 48 22.880 15.848 12.273 1.00 0.00 ATOM 388 CA SER 48 23.266 14.825 13.232 1.00 0.00 ATOM 389 CB SER 48 23.566 13.497 12.535 1.00 0.00 ATOM 390 OG SER 48 24.007 12.522 13.462 1.00 0.00 ATOM 391 O SER 48 25.502 15.668 13.158 1.00 0.00 ATOM 392 C SER 48 24.532 15.384 13.860 1.00 0.00 ATOM 393 N ILE 49 24.547 15.486 15.209 1.00 0.00 ATOM 394 CA ILE 49 25.703 16.015 15.913 1.00 0.00 ATOM 395 CB ILE 49 25.278 17.213 16.783 1.00 0.00 ATOM 396 CG1 ILE 49 24.604 18.284 15.922 1.00 0.00 ATOM 397 CG2 ILE 49 26.488 17.833 17.462 1.00 0.00 ATOM 398 CD1 ILE 49 25.507 18.875 14.862 1.00 0.00 ATOM 399 O ILE 49 25.681 14.267 17.517 1.00 0.00 ATOM 400 C ILE 49 26.355 14.936 16.816 1.00 0.00 ATOM 401 N THR 50 27.611 14.907 16.646 1.00 0.00 ATOM 402 CA THR 50 28.360 14.044 17.551 1.00 0.00 ATOM 403 CB THR 50 28.944 12.854 16.763 1.00 0.00 ATOM 404 CG2 THR 50 27.836 12.084 16.065 1.00 0.00 ATOM 405 OG1 THR 50 29.866 13.340 15.778 1.00 0.00 ATOM 406 O THR 50 30.133 15.634 17.480 1.00 0.00 ATOM 407 C THR 50 29.553 14.763 18.129 1.00 0.00 ATOM 408 N VAL 51 29.991 14.319 19.298 1.00 0.00 ATOM 409 CA VAL 51 31.175 14.883 19.922 1.00 0.00 ATOM 410 CB VAL 51 30.806 15.771 21.130 1.00 0.00 ATOM 411 CG1 VAL 51 29.951 16.950 20.708 1.00 0.00 ATOM 412 CG2 VAL 51 30.050 15.016 22.145 1.00 0.00 ATOM 413 O VAL 51 31.653 12.643 20.786 1.00 0.00 ATOM 414 C VAL 51 32.092 13.760 20.448 1.00 0.00 ATOM 415 N LYS 52 33.373 14.076 20.578 1.00 0.00 ATOM 416 CA LYS 52 34.303 13.116 21.092 1.00 0.00 ATOM 417 CB LYS 52 35.656 13.254 20.391 1.00 0.00 ATOM 418 CG LYS 52 36.673 12.198 20.791 1.00 0.00 ATOM 419 CD LYS 52 38.003 12.414 20.086 1.00 0.00 ATOM 420 CE LYS 52 39.016 11.353 20.480 1.00 0.00 ATOM 421 NZ LYS 52 40.322 11.550 19.792 1.00 0.00 ATOM 422 O LYS 52 34.754 14.509 22.986 1.00 0.00 ATOM 423 C LYS 52 34.471 13.377 22.583 1.00 0.00 ATOM 424 N GLU 53 34.201 12.378 23.412 1.00 0.00 ATOM 425 CA GLU 53 34.327 12.552 24.852 1.00 0.00 ATOM 426 CB GLU 53 33.962 11.256 25.579 1.00 0.00 ATOM 427 CG GLU 53 33.957 11.393 27.095 1.00 0.00 ATOM 428 CD GLU 53 33.657 10.090 27.809 1.00 0.00 ATOM 429 OE1 GLU 53 33.479 9.057 27.130 1.00 0.00 ATOM 430 OE2 GLU 53 33.598 10.099 29.057 1.00 0.00 ATOM 431 O GLU 53 36.676 12.389 24.682 1.00 0.00 ATOM 432 C GLU 53 35.741 12.967 25.235 1.00 0.00 ATOM 433 N GLU 54 36.892 10.449 25.045 1.00 0.00 ATOM 434 CA GLU 54 37.435 10.118 23.770 1.00 0.00 ATOM 435 CB GLU 54 39.019 9.962 23.904 1.00 0.00 ATOM 436 CG GLU 54 39.500 8.678 24.539 1.00 0.00 ATOM 437 CD GLU 54 39.363 8.628 26.060 1.00 0.00 ATOM 438 OE1 GLU 54 38.970 9.637 26.711 1.00 0.00 ATOM 439 OE2 GLU 54 39.627 7.538 26.607 1.00 0.00 ATOM 440 O GLU 54 36.905 9.067 21.664 1.00 0.00 ATOM 441 C GLU 54 36.545 9.282 22.833 1.00 0.00 ATOM 442 N ASN 55 35.414 8.841 23.361 1.00 0.00 ATOM 443 CA ASN 55 34.476 8.038 22.564 1.00 0.00 ATOM 444 CB ASN 55 33.693 7.030 23.408 1.00 0.00 ATOM 445 CG ASN 55 32.861 6.084 22.564 1.00 0.00 ATOM 446 ND2 ASN 55 31.814 5.527 23.160 1.00 0.00 ATOM 447 OD1 ASN 55 33.158 5.858 21.390 1.00 0.00 ATOM 448 O ASN 55 33.034 9.960 22.508 1.00 0.00 ATOM 449 C ASN 55 33.472 8.981 21.902 1.00 0.00 ATOM 450 N GLU 56 33.171 8.789 20.466 1.00 0.00 ATOM 451 CA GLU 56 32.181 9.568 19.745 1.00 0.00 ATOM 452 CB GLU 56 32.198 9.342 18.232 1.00 0.00 ATOM 453 CG GLU 56 31.341 10.321 17.447 1.00 0.00 ATOM 454 CD GLU 56 31.427 10.099 15.950 1.00 0.00 ATOM 455 OE1 GLU 56 32.231 9.246 15.520 1.00 0.00 ATOM 456 OE2 GLU 56 30.689 10.780 15.205 1.00 0.00 ATOM 457 O GLU 56 30.351 8.120 20.293 1.00 0.00 ATOM 458 C GLU 56 30.803 9.268 20.309 1.00 0.00 ATOM 459 N LEU 57 30.153 10.293 20.845 1.00 0.00 ATOM 460 CA LEU 57 28.831 10.132 21.424 1.00 0.00 ATOM 461 CB LEU 57 28.841 10.428 22.925 1.00 0.00 ATOM 462 CG LEU 57 29.753 9.550 23.784 1.00 0.00 ATOM 463 CD1 LEU 57 29.758 10.031 25.227 1.00 0.00 ATOM 464 CD2 LEU 57 29.278 8.104 23.766 1.00 0.00 ATOM 465 O LEU 57 28.234 12.215 20.388 1.00 0.00 ATOM 466 C LEU 57 27.862 11.095 20.745 1.00 0.00 ATOM 467 N PRO 58 26.601 10.657 20.610 1.00 0.00 ATOM 468 CA PRO 58 25.611 11.526 19.966 1.00 0.00 ATOM 469 CB PRO 58 24.460 10.564 19.683 1.00 0.00 ATOM 470 CG PRO 58 24.520 9.642 20.856 1.00 0.00 ATOM 471 CD PRO 58 26.001 9.366 20.988 1.00 0.00 ATOM 472 O PRO 58 25.251 12.628 22.078 1.00 0.00 ATOM 473 C PRO 58 25.260 12.720 20.846 1.00 0.00 ATOM 474 N VAL 59 25.049 13.863 20.221 1.00 0.00 ATOM 475 CA VAL 59 24.661 15.103 20.884 1.00 0.00 ATOM 476 CB VAL 59 25.682 16.247 20.621 1.00 0.00 ATOM 477 CG1 VAL 59 25.385 17.474 21.485 1.00 0.00 ATOM 478 CG2 VAL 59 27.106 15.762 20.898 1.00 0.00 ATOM 479 O VAL 59 22.956 16.005 19.441 1.00 0.00 ATOM 480 C VAL 59 23.218 15.334 20.441 1.00 0.00 ATOM 481 N LYS 60 22.273 14.820 21.243 1.00 0.00 ATOM 482 CA LYS 60 20.858 14.925 20.920 1.00 0.00 ATOM 483 CB LYS 60 20.008 14.035 21.827 1.00 0.00 ATOM 484 CG LYS 60 20.247 12.546 21.636 1.00 0.00 ATOM 485 CD LYS 60 19.369 11.722 22.565 1.00 0.00 ATOM 486 CE LYS 60 19.627 10.235 22.391 1.00 0.00 ATOM 487 NZ LYS 60 18.798 9.415 23.318 1.00 0.00 ATOM 488 O LYS 60 19.623 16.821 20.079 1.00 0.00 ATOM 489 C LYS 60 20.310 16.352 20.993 1.00 0.00 ATOM 490 N GLY 61 20.591 17.040 22.071 1.00 0.00 ATOM 491 CA GLY 61 20.089 18.381 22.243 1.00 0.00 ATOM 492 O GLY 61 19.876 20.328 20.923 1.00 0.00 ATOM 493 C GLY 61 20.615 19.411 21.276 1.00 0.00 ATOM 494 N VAL 62 21.831 19.317 20.846 1.00 0.00 ATOM 495 CA VAL 62 22.469 20.292 19.959 1.00 0.00 ATOM 496 CB VAL 62 23.990 20.353 20.186 1.00 0.00 ATOM 497 CG1 VAL 62 24.298 20.746 21.623 1.00 0.00 ATOM 498 CG2 VAL 62 24.625 18.998 19.912 1.00 0.00 ATOM 499 O VAL 62 22.804 20.781 17.633 1.00 0.00 ATOM 500 C VAL 62 22.302 20.022 18.471 1.00 0.00 ATOM 501 N GLU 63 27.694 15.502 25.693 1.00 0.00 ATOM 502 CA GLU 63 27.576 15.336 27.151 1.00 0.00 ATOM 503 CB GLU 63 28.647 14.284 27.581 1.00 0.00 ATOM 504 CG GLU 63 28.722 14.070 29.079 1.00 0.00 ATOM 505 CD GLU 63 27.646 13.171 29.659 1.00 0.00 ATOM 506 OE1 GLU 63 27.457 12.064 29.091 1.00 0.00 ATOM 507 OE2 GLU 63 27.042 13.529 30.715 1.00 0.00 ATOM 508 O GLU 63 26.965 16.927 28.792 1.00 0.00 ATOM 509 C GLU 63 27.734 16.663 27.879 1.00 0.00 ATOM 510 N MET 64 28.675 17.466 27.482 1.00 0.00 ATOM 511 CA MET 64 28.863 18.727 28.128 1.00 0.00 ATOM 512 CB MET 64 30.103 19.438 27.610 1.00 0.00 ATOM 513 CG MET 64 31.395 18.772 28.091 1.00 0.00 ATOM 514 SD MET 64 31.681 19.074 29.884 1.00 0.00 ATOM 515 CE MET 64 32.744 17.721 30.323 1.00 0.00 ATOM 516 O MET 64 27.260 20.232 28.886 1.00 0.00 ATOM 517 C MET 64 27.689 19.634 27.952 1.00 0.00 ATOM 518 N ALA 65 27.161 19.686 26.745 1.00 0.00 ATOM 519 CA ALA 65 25.991 20.514 26.513 1.00 0.00 ATOM 520 CB ALA 65 25.602 20.456 25.025 1.00 0.00 ATOM 521 O ALA 65 24.080 20.921 27.960 1.00 0.00 ATOM 522 C ALA 65 24.820 20.081 27.391 1.00 0.00 ATOM 523 N GLY 66 24.572 18.715 27.488 1.00 0.00 ATOM 524 CA GLY 66 23.450 18.184 28.254 1.00 0.00 ATOM 525 O GLY 66 22.624 18.298 30.504 1.00 0.00 ATOM 526 C GLY 66 23.589 18.404 29.758 1.00 0.00 ATOM 527 N ASP 67 24.797 18.658 30.244 1.00 0.00 ATOM 528 CA ASP 67 25.017 18.873 31.677 1.00 0.00 ATOM 529 CB ASP 67 26.479 18.563 32.025 1.00 0.00 ATOM 530 CG ASP 67 26.728 18.553 33.522 1.00 0.00 ATOM 531 OD1 ASP 67 25.919 19.129 34.259 1.00 0.00 ATOM 532 OD2 ASP 67 27.738 17.964 33.973 1.00 0.00 ATOM 533 O ASP 67 25.392 21.238 31.535 1.00 0.00 ATOM 534 C ASP 67 24.718 20.334 32.011 1.00 0.00 ATOM 535 N PRO 68 23.739 20.571 32.881 1.00 0.00 ATOM 536 CA PRO 68 23.402 21.951 33.239 1.00 0.00 ATOM 537 CB PRO 68 22.086 21.793 34.000 1.00 0.00 ATOM 538 CG PRO 68 22.197 20.459 34.627 1.00 0.00 ATOM 539 CD PRO 68 22.915 19.598 33.617 1.00 0.00 ATOM 540 O PRO 68 24.380 23.937 34.183 1.00 0.00 ATOM 541 C PRO 68 24.469 22.720 34.034 1.00 0.00 ATOM 542 N LEU 69 25.451 21.994 34.590 1.00 0.00 ATOM 543 CA LEU 69 26.475 22.663 35.388 1.00 0.00 ATOM 544 CB LEU 69 27.371 21.599 36.027 1.00 0.00 ATOM 545 CG LEU 69 26.696 20.750 37.110 1.00 0.00 ATOM 546 CD1 LEU 69 27.622 19.620 37.550 1.00 0.00 ATOM 547 CD2 LEU 69 26.329 21.632 38.294 1.00 0.00 ATOM 548 O LEU 69 27.726 24.693 35.066 1.00 0.00 ATOM 549 C LEU 69 27.319 23.644 34.572 1.00 0.00 ATOM 550 N GLU 70 27.562 23.312 33.314 1.00 0.00 ATOM 551 CA GLU 70 28.340 24.187 32.438 1.00 0.00 ATOM 552 CB GLU 70 28.688 23.631 31.102 1.00 0.00 ATOM 553 CG GLU 70 29.595 22.410 31.209 1.00 0.00 ATOM 554 CD GLU 70 30.883 22.693 31.962 1.00 0.00 ATOM 555 OE1 GLU 70 31.224 21.900 32.879 1.00 0.00 ATOM 556 OE2 GLU 70 31.539 23.717 31.653 1.00 0.00 ATOM 557 O GLU 70 28.184 26.592 32.140 1.00 0.00 ATOM 558 C GLU 70 27.602 25.504 32.146 1.00 0.00 ATOM 559 N HIS 71 26.307 25.385 31.914 1.00 0.00 ATOM 560 CA HIS 71 25.461 26.532 31.729 1.00 0.00 ATOM 561 CB HIS 71 24.015 26.189 32.322 1.00 0.00 ATOM 562 CG HIS 71 22.895 27.098 32.036 1.00 0.00 ATOM 563 CD2 HIS 71 22.461 27.663 30.939 1.00 0.00 ATOM 564 ND1 HIS 71 22.184 27.665 33.130 1.00 0.00 ATOM 565 CE1 HIS 71 21.285 28.461 32.601 1.00 0.00 ATOM 566 NE2 HIS 71 21.393 28.463 31.241 1.00 0.00 ATOM 567 O HIS 71 25.670 28.610 32.923 1.00 0.00 ATOM 568 C HIS 71 25.533 27.391 32.990 1.00 0.00 ATOM 569 N HIS 72 25.415 26.731 34.148 1.00 0.00 ATOM 570 CA HIS 72 25.461 27.367 35.459 1.00 0.00 ATOM 571 CB HIS 72 25.157 26.364 36.597 1.00 0.00 ATOM 572 CG HIS 72 25.239 26.935 37.982 1.00 0.00 ATOM 573 CD2 HIS 72 25.873 26.482 39.092 1.00 0.00 ATOM 574 ND1 HIS 72 24.628 28.113 38.346 1.00 0.00 ATOM 575 CE1 HIS 72 24.895 28.371 39.620 1.00 0.00 ATOM 576 NE2 HIS 72 25.648 27.403 40.096 1.00 0.00 ATOM 577 O HIS 72 26.971 29.181 36.072 1.00 0.00 ATOM 578 C HIS 72 26.852 28.060 35.590 1.00 0.00 ATOM 579 N HIS 73 27.889 27.404 35.114 1.00 0.00 ATOM 580 CA HIS 73 29.252 27.949 35.143 1.00 0.00 ATOM 581 CB HIS 73 30.255 26.869 34.703 1.00 0.00 ATOM 582 CG HIS 73 31.675 27.212 35.004 1.00 0.00 ATOM 583 CD2 HIS 73 32.434 26.992 36.099 1.00 0.00 ATOM 584 ND1 HIS 73 32.467 27.908 34.118 1.00 0.00 ATOM 585 CE1 HIS 73 33.663 28.088 34.650 1.00 0.00 ATOM 586 NE2 HIS 73 33.671 27.536 35.847 1.00 0.00 ATOM 587 O HIS 73 29.985 30.186 34.651 1.00 0.00 ATOM 588 C HIS 73 29.355 29.189 34.273 1.00 0.00 ATOM 589 N HIS 74 28.671 29.180 33.138 1.00 0.00 ATOM 590 CA HIS 74 28.672 30.334 32.243 1.00 0.00 ATOM 591 CB HIS 74 27.958 30.001 30.916 1.00 0.00 ATOM 592 CG HIS 74 27.602 31.207 30.102 1.00 0.00 ATOM 593 CD2 HIS 74 28.303 31.895 29.167 1.00 0.00 ATOM 594 ND1 HIS 74 26.379 31.845 30.211 1.00 0.00 ATOM 595 CE1 HIS 74 26.352 32.885 29.393 1.00 0.00 ATOM 596 NE2 HIS 74 27.507 32.940 28.748 1.00 0.00 ATOM 597 O HIS 74 28.456 32.673 32.786 1.00 0.00 ATOM 598 C HIS 74 27.994 31.533 32.904 1.00 0.00 ATOM 599 N HIS 75 26.877 31.274 33.583 1.00 0.00 ATOM 600 CA HIS 75 26.123 32.330 34.259 1.00 0.00 ATOM 601 CB HIS 75 24.747 31.819 34.677 1.00 0.00 ATOM 602 CG HIS 75 23.696 32.023 33.639 1.00 0.00 ATOM 603 CD2 HIS 75 23.430 31.352 32.495 1.00 0.00 ATOM 604 ND1 HIS 75 22.736 33.008 33.741 1.00 0.00 ATOM 605 CE1 HIS 75 21.926 32.936 32.695 1.00 0.00 ATOM 606 NE2 HIS 75 22.321 31.934 31.929 1.00 0.00 ATOM 607 O HIS 75 26.798 34.109 35.683 1.00 0.00 ATOM 608 C HIS 75 26.858 32.906 35.472 1.00 0.00 ATOM 609 N HIS 76 27.548 32.110 36.156 1.00 0.00 ATOM 610 CA HIS 76 28.414 32.559 37.240 1.00 0.00 ATOM 611 CB HIS 76 27.833 32.134 38.617 1.00 0.00 ATOM 612 CG HIS 76 26.434 32.559 38.804 1.00 0.00 ATOM 613 CD2 HIS 76 25.264 31.866 38.596 1.00 0.00 ATOM 614 ND1 HIS 76 26.040 33.821 39.203 1.00 0.00 ATOM 615 CE1 HIS 76 24.719 33.866 39.235 1.00 0.00 ATOM 616 NE2 HIS 76 24.231 32.698 38.873 1.00 0.00 ATOM 617 O HIS 76 30.216 31.039 37.675 1.00 0.00 ATOM 618 C HIS 76 29.800 32.018 37.065 1.00 0.00 TER END