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 2 Tue Jul 4 17:25:41 2006 MODEL 2 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 41.352 15.029 32.329 1.00 0.00 ATOM 2 CA MET 1 41.202 14.304 31.073 1.00 0.00 ATOM 3 CB MET 1 40.013 13.158 31.889 1.00 0.00 ATOM 4 CG MET 1 38.669 13.861 31.772 1.00 0.00 ATOM 5 SD MET 1 37.309 12.872 32.426 1.00 0.00 ATOM 6 CE MET 1 36.788 12.004 30.946 1.00 0.00 ATOM 7 O MET 1 41.117 14.860 28.745 1.00 0.00 ATOM 8 C MET 1 41.547 15.156 29.861 1.00 0.00 ATOM 9 N ALA 2 42.325 16.201 30.069 1.00 0.00 ATOM 10 CA ALA 2 42.687 17.095 28.972 1.00 0.00 ATOM 11 CB ALA 2 43.489 18.285 29.504 1.00 0.00 ATOM 12 O ALA 2 43.289 16.667 26.691 1.00 0.00 ATOM 13 C ALA 2 43.465 16.362 27.870 1.00 0.00 ATOM 14 N SER 3 44.301 15.395 28.239 1.00 0.00 ATOM 15 CA SER 3 45.070 14.637 27.234 1.00 0.00 ATOM 16 CB SER 3 46.009 13.654 27.930 1.00 0.00 ATOM 17 OG SER 3 45.276 12.633 28.592 1.00 0.00 ATOM 18 O SER 3 44.549 13.526 25.156 1.00 0.00 ATOM 19 C SER 3 44.166 13.822 26.304 1.00 0.00 ATOM 20 N LYS 4 42.975 13.465 26.784 1.00 0.00 ATOM 21 CA LYS 4 41.981 12.787 25.960 1.00 0.00 ATOM 22 CB LYS 4 41.173 11.803 26.803 1.00 0.00 ATOM 23 CG LYS 4 41.989 10.716 27.464 1.00 0.00 ATOM 24 CD LYS 4 42.621 9.786 26.461 1.00 0.00 ATOM 25 CE LYS 4 42.916 8.429 27.064 1.00 0.00 ATOM 26 NZ LYS 4 43.778 7.617 26.171 1.00 0.00 ATOM 27 O LYS 4 40.122 13.335 24.539 1.00 0.00 ATOM 28 C LYS 4 41.056 13.763 25.221 1.00 0.00 ATOM 29 N LYS 5 41.312 15.062 25.373 1.00 0.00 ATOM 30 CA LYS 5 40.476 16.117 24.824 1.00 0.00 ATOM 31 CB LYS 5 41.037 16.107 23.184 1.00 0.00 ATOM 32 CG LYS 5 42.471 15.667 22.915 1.00 0.00 ATOM 33 CD LYS 5 42.749 15.557 21.423 1.00 0.00 ATOM 34 CE LYS 5 42.520 16.884 20.708 1.00 0.00 ATOM 35 NZ LYS 5 43.399 17.976 21.231 1.00 0.00 ATOM 36 O LYS 5 38.119 16.508 24.865 1.00 0.00 ATOM 37 C LYS 5 39.102 16.087 25.473 1.00 0.00 ATOM 38 N VAL 6 39.040 15.611 26.720 1.00 0.00 ATOM 39 CA VAL 6 37.769 15.549 27.443 1.00 0.00 ATOM 40 CB VAL 6 37.935 14.691 28.721 1.00 0.00 ATOM 41 CG1 VAL 6 36.733 14.852 29.629 1.00 0.00 ATOM 42 CG2 VAL 6 38.100 13.221 28.332 1.00 0.00 ATOM 43 O VAL 6 36.056 17.220 27.680 1.00 0.00 ATOM 44 C VAL 6 37.251 16.951 27.802 1.00 0.00 ATOM 45 N HIS 7 38.108 17.789 28.250 1.00 0.00 ATOM 46 CA HIS 7 37.721 19.156 28.627 1.00 0.00 ATOM 47 CB HIS 7 38.716 19.907 29.514 1.00 0.00 ATOM 48 CG HIS 7 39.032 19.199 30.796 1.00 0.00 ATOM 49 CD2 HIS 7 40.172 18.458 31.318 1.00 0.00 ATOM 50 ND1 HIS 7 38.146 19.131 31.846 1.00 0.00 ATOM 51 CE1 HIS 7 38.710 18.436 32.852 1.00 0.00 ATOM 52 NE2 HIS 7 39.926 18.030 32.540 1.00 0.00 ATOM 53 O HIS 7 36.695 21.058 27.609 1.00 0.00 ATOM 54 C HIS 7 37.265 19.983 27.427 1.00 0.00 ATOM 55 N GLN 8 37.839 19.740 26.263 1.00 0.00 ATOM 56 CA GLN 8 37.372 20.364 25.027 1.00 0.00 ATOM 57 CB GLN 8 38.565 20.670 24.085 1.00 0.00 ATOM 58 CG GLN 8 39.724 19.630 24.163 1.00 0.00 ATOM 59 CD GLN 8 40.966 20.142 24.926 1.00 0.00 ATOM 60 OE1 GLN 8 41.150 19.860 26.124 1.00 0.00 ATOM 61 NE2 GLN 8 41.822 20.870 24.226 1.00 0.00 ATOM 62 O GLN 8 36.350 18.292 24.389 1.00 0.00 ATOM 63 C GLN 8 36.283 19.518 24.395 1.00 0.00 ATOM 64 N ILE 9 35.305 20.206 23.805 1.00 0.00 ATOM 65 CA ILE 9 34.178 19.541 23.168 1.00 0.00 ATOM 66 CB ILE 9 32.892 20.361 23.359 1.00 0.00 ATOM 67 CG1 ILE 9 32.530 20.352 24.851 1.00 0.00 ATOM 68 CG2 ILE 9 31.768 19.725 22.542 1.00 0.00 ATOM 69 CD1 ILE 9 31.339 21.206 25.221 1.00 0.00 ATOM 70 O ILE 9 34.570 20.558 21.053 1.00 0.00 ATOM 71 C ILE 9 34.451 19.488 21.670 1.00 0.00 ATOM 72 N ASN 10 34.751 18.305 21.165 1.00 0.00 ATOM 73 CA ASN 10 35.073 18.179 19.731 1.00 0.00 ATOM 74 CB ASN 10 35.818 16.874 19.654 1.00 0.00 ATOM 75 CG ASN 10 36.267 16.765 18.208 1.00 0.00 ATOM 76 ND2 ASN 10 37.034 15.715 17.920 1.00 0.00 ATOM 77 OD1 ASN 10 35.956 17.599 17.367 1.00 0.00 ATOM 78 O ASN 10 33.262 16.684 19.380 1.00 0.00 ATOM 79 C ASN 10 33.816 17.723 19.038 1.00 0.00 ATOM 80 N VAL 11 33.342 18.511 18.053 1.00 0.00 ATOM 81 CA VAL 11 32.067 18.250 17.406 1.00 0.00 ATOM 82 CB VAL 11 31.010 19.356 17.681 1.00 0.00 ATOM 83 CG1 VAL 11 29.674 18.967 17.063 1.00 0.00 ATOM 84 CG2 VAL 11 30.870 19.686 19.140 1.00 0.00 ATOM 85 O VAL 11 32.607 18.986 15.205 1.00 0.00 ATOM 86 C VAL 11 32.152 18.081 15.909 1.00 0.00 ATOM 87 N LYS 12 31.601 16.949 15.448 1.00 0.00 ATOM 88 CA LYS 12 31.514 16.585 14.040 1.00 0.00 ATOM 89 CB LYS 12 32.323 15.327 13.818 1.00 0.00 ATOM 90 CG LYS 12 32.212 14.800 12.410 1.00 0.00 ATOM 91 CD LYS 12 32.859 13.442 12.296 1.00 0.00 ATOM 92 CE LYS 12 32.708 12.882 10.899 1.00 0.00 ATOM 93 NZ LYS 12 33.304 11.523 10.784 1.00 0.00 ATOM 94 O LYS 12 29.267 15.887 14.493 1.00 0.00 ATOM 95 C LYS 12 30.005 16.631 13.848 1.00 0.00 ATOM 96 N GLY 13 29.583 17.604 12.946 1.00 0.00 ATOM 97 CA GLY 13 28.162 17.746 12.691 1.00 0.00 ATOM 98 O GLY 13 28.467 18.072 10.335 1.00 0.00 ATOM 99 C GLY 13 27.815 17.533 11.229 1.00 0.00 ATOM 100 N PHE 14 26.769 16.745 10.997 1.00 0.00 ATOM 101 CA PHE 14 26.305 16.440 9.652 1.00 0.00 ATOM 102 CB PHE 14 25.945 14.959 9.571 1.00 0.00 ATOM 103 CG PHE 14 27.146 14.049 9.727 1.00 0.00 ATOM 104 CD1 PHE 14 27.696 13.404 8.624 1.00 0.00 ATOM 105 CD2 PHE 14 27.724 13.848 10.978 1.00 0.00 ATOM 106 CE1 PHE 14 28.802 12.569 8.762 1.00 0.00 ATOM 107 CE2 PHE 14 28.834 13.014 11.125 1.00 0.00 ATOM 108 CZ PHE 14 29.370 12.375 10.015 1.00 0.00 ATOM 109 O PHE 14 24.081 17.141 10.189 1.00 0.00 ATOM 110 C PHE 14 25.014 17.203 9.392 1.00 0.00 ATOM 111 N PHE 15 24.976 17.925 8.278 1.00 0.00 ATOM 112 CA PHE 15 23.784 18.673 7.882 1.00 0.00 ATOM 113 CB PHE 15 23.998 20.198 8.085 1.00 0.00 ATOM 114 CG PHE 15 24.751 20.535 9.354 1.00 0.00 ATOM 115 CD1 PHE 15 26.118 20.327 9.431 1.00 0.00 ATOM 116 CD2 PHE 15 24.082 20.986 10.464 1.00 0.00 ATOM 117 CE1 PHE 15 26.839 20.543 10.578 1.00 0.00 ATOM 118 CE2 PHE 15 24.764 21.228 11.671 1.00 0.00 ATOM 119 CZ PHE 15 26.153 21.012 11.734 1.00 0.00 ATOM 120 O PHE 15 24.135 18.804 5.519 1.00 0.00 ATOM 121 C PHE 15 23.498 18.296 6.443 1.00 0.00 ATOM 122 N ASP 16 22.514 17.421 6.260 1.00 0.00 ATOM 123 CA ASP 16 22.159 16.932 4.938 1.00 0.00 ATOM 124 CB ASP 16 21.940 18.087 3.955 1.00 0.00 ATOM 125 CG ASP 16 20.774 18.969 4.348 1.00 0.00 ATOM 126 OD1 ASP 16 19.696 18.425 4.659 1.00 0.00 ATOM 127 OD2 ASP 16 20.937 20.208 4.338 1.00 0.00 ATOM 128 O ASP 16 23.548 14.992 5.019 1.00 0.00 ATOM 129 C ASP 16 23.311 16.062 4.460 1.00 0.00 ATOM 130 N MET 17 24.078 16.553 3.493 1.00 0.00 ATOM 131 CA MET 17 25.197 15.791 2.962 1.00 0.00 ATOM 132 CB MET 17 25.004 16.064 1.263 1.00 0.00 ATOM 133 CG MET 17 25.001 14.881 0.323 1.00 0.00 ATOM 134 SD MET 17 25.136 15.413 -1.427 1.00 0.00 ATOM 135 CE MET 17 23.956 16.696 -1.555 1.00 0.00 ATOM 136 O MET 17 27.580 15.668 3.131 1.00 0.00 ATOM 137 C MET 17 26.565 16.315 3.397 1.00 0.00 ATOM 138 N ASP 18 26.472 17.556 4.035 1.00 0.00 ATOM 139 CA ASP 18 27.734 18.174 4.458 1.00 0.00 ATOM 140 CB ASP 18 27.609 19.700 4.458 1.00 0.00 ATOM 141 CG ASP 18 27.577 20.282 3.058 1.00 0.00 ATOM 142 OD1 ASP 18 27.864 19.535 2.099 1.00 0.00 ATOM 143 OD2 ASP 18 27.270 21.484 2.921 1.00 0.00 ATOM 144 O ASP 18 27.340 17.527 6.739 1.00 0.00 ATOM 145 C ASP 18 28.166 17.830 5.874 1.00 0.00 ATOM 146 N VAL 19 29.494 17.915 6.089 1.00 0.00 ATOM 147 CA VAL 19 30.027 17.672 7.425 1.00 0.00 ATOM 148 CB VAL 19 30.921 16.412 7.390 1.00 0.00 ATOM 149 CG1 VAL 19 31.610 16.175 8.720 1.00 0.00 ATOM 150 CG2 VAL 19 30.085 15.190 7.021 1.00 0.00 ATOM 151 O VAL 19 31.632 19.430 7.024 1.00 0.00 ATOM 152 C VAL 19 30.883 18.885 7.841 1.00 0.00 ATOM 153 N MET 20 30.712 19.322 9.075 1.00 0.00 ATOM 154 CA MET 20 31.548 20.389 9.674 1.00 0.00 ATOM 155 CB MET 20 30.625 21.522 10.086 1.00 0.00 ATOM 156 CG MET 20 31.224 22.477 11.101 1.00 0.00 ATOM 157 SD MET 20 30.167 23.905 11.436 1.00 0.00 ATOM 158 CE MET 20 28.716 23.135 12.097 1.00 0.00 ATOM 159 O MET 20 31.587 19.138 11.729 1.00 0.00 ATOM 160 C MET 20 32.186 19.906 10.968 1.00 0.00 ATOM 161 N GLU 21 33.428 20.316 11.189 1.00 0.00 ATOM 162 CA GLU 21 34.168 19.922 12.379 1.00 0.00 ATOM 163 CB GLU 21 35.263 18.908 12.048 1.00 0.00 ATOM 164 CG GLU 21 34.763 17.605 11.481 1.00 0.00 ATOM 165 CD GLU 21 35.823 16.573 11.269 1.00 0.00 ATOM 166 OE1 GLU 21 36.864 16.902 10.701 1.00 0.00 ATOM 167 OE2 GLU 21 35.619 15.424 11.692 1.00 0.00 ATOM 168 O GLU 21 35.355 22.012 12.500 1.00 0.00 ATOM 169 C GLU 21 34.712 21.152 13.114 1.00 0.00 ATOM 170 N VAL 22 34.401 21.147 14.477 1.00 0.00 ATOM 171 CA VAL 22 34.890 22.285 15.266 1.00 0.00 ATOM 172 CB VAL 22 33.848 23.417 15.236 1.00 0.00 ATOM 173 CG1 VAL 22 33.685 23.952 13.820 1.00 0.00 ATOM 174 CG2 VAL 22 32.495 22.911 15.717 1.00 0.00 ATOM 175 O VAL 22 34.893 20.669 17.028 1.00 0.00 ATOM 176 C VAL 22 35.139 21.828 16.691 1.00 0.00 ATOM 177 N THR 23 35.729 22.706 17.492 1.00 0.00 ATOM 178 CA THR 23 35.984 22.376 18.884 1.00 0.00 ATOM 179 CB THR 23 37.383 21.717 19.042 1.00 0.00 ATOM 180 CG2 THR 23 38.508 22.678 18.697 1.00 0.00 ATOM 181 OG1 THR 23 37.601 21.370 20.410 1.00 0.00 ATOM 182 O THR 23 36.357 24.701 19.351 1.00 0.00 ATOM 183 C THR 23 35.916 23.627 19.763 1.00 0.00 ATOM 184 N GLU 24 35.376 23.485 20.935 1.00 0.00 ATOM 185 CA GLU 24 35.261 24.605 21.880 1.00 0.00 ATOM 186 CB GLU 24 33.918 25.320 21.710 1.00 0.00 ATOM 187 CG GLU 24 33.680 25.874 20.314 1.00 0.00 ATOM 188 CD GLU 24 32.349 26.591 20.192 1.00 0.00 ATOM 189 OE1 GLU 24 31.595 26.614 21.186 1.00 0.00 ATOM 190 OE2 GLU 24 32.063 27.128 19.100 1.00 0.00 ATOM 191 O GLU 24 35.049 22.967 23.606 1.00 0.00 ATOM 192 C GLU 24 35.397 24.108 23.301 1.00 0.00 ATOM 193 N GLN 25 35.922 24.954 24.194 1.00 0.00 ATOM 194 CA GLN 25 36.079 24.547 25.589 1.00 0.00 ATOM 195 CB GLN 25 36.693 25.682 26.411 1.00 0.00 ATOM 196 CG GLN 25 36.999 25.307 27.854 1.00 0.00 ATOM 197 CD GLN 25 37.693 26.424 28.611 1.00 0.00 ATOM 198 OE1 GLN 25 37.940 27.499 28.061 1.00 0.00 ATOM 199 NE2 GLN 25 38.005 26.173 29.877 1.00 0.00 ATOM 200 O GLN 25 33.736 24.863 25.956 1.00 0.00 ATOM 201 C GLN 25 34.731 24.184 26.195 1.00 0.00 ATOM 202 N THR 26 34.695 23.088 26.944 1.00 0.00 ATOM 203 CA THR 26 33.462 22.648 27.581 1.00 0.00 ATOM 204 CB THR 26 33.768 21.448 28.440 1.00 0.00 ATOM 205 CG2 THR 26 32.533 21.049 29.227 1.00 0.00 ATOM 206 OG1 THR 26 34.187 20.395 27.569 1.00 0.00 ATOM 207 O THR 26 31.721 23.977 28.570 1.00 0.00 ATOM 208 C THR 26 32.928 23.744 28.498 1.00 0.00 ATOM 209 N LYS 27 33.944 24.379 29.208 1.00 0.00 ATOM 210 CA LYS 27 33.617 25.460 30.134 1.00 0.00 ATOM 211 CB LYS 27 34.840 25.836 30.974 1.00 0.00 ATOM 212 CG LYS 27 35.313 24.735 31.905 1.00 0.00 ATOM 213 CD LYS 27 36.508 25.187 32.732 1.00 0.00 ATOM 214 CE LYS 27 36.985 24.085 33.663 1.00 0.00 ATOM 215 NZ LYS 27 38.161 24.510 34.469 1.00 0.00 ATOM 216 O LYS 27 32.716 27.675 30.065 1.00 0.00 ATOM 217 C LYS 27 33.116 26.706 29.418 1.00 0.00 ATOM 218 N GLU 28 33.205 26.716 28.090 1.00 0.00 ATOM 219 CA GLU 28 32.748 27.862 27.311 1.00 0.00 ATOM 220 CB GLU 28 33.874 28.436 26.403 1.00 0.00 ATOM 221 CG GLU 28 35.079 28.785 27.228 1.00 0.00 ATOM 222 CD GLU 28 35.773 30.028 26.728 1.00 0.00 ATOM 223 OE1 GLU 28 35.530 31.134 27.214 1.00 0.00 ATOM 224 OE2 GLU 28 36.512 29.841 25.771 1.00 0.00 ATOM 225 O GLU 28 30.702 28.719 26.398 1.00 0.00 ATOM 226 C GLU 28 31.285 27.752 26.888 1.00 0.00 ATOM 227 N ALA 29 30.703 26.560 27.130 1.00 0.00 ATOM 228 CA ALA 29 29.303 26.340 26.773 1.00 0.00 ATOM 229 CB ALA 29 28.897 24.883 27.023 1.00 0.00 ATOM 230 O ALA 29 28.450 27.141 28.879 1.00 0.00 ATOM 231 C ALA 29 28.390 27.179 27.646 1.00 0.00 ATOM 232 N GLU 30 27.443 27.913 26.941 1.00 0.00 ATOM 233 CA GLU 30 26.429 28.695 27.644 1.00 0.00 ATOM 234 CB GLU 30 25.988 29.888 26.794 1.00 0.00 ATOM 235 CG GLU 30 27.080 30.919 26.557 1.00 0.00 ATOM 236 CD GLU 30 26.605 32.087 25.715 1.00 0.00 ATOM 237 OE1 GLU 30 25.418 32.097 25.328 1.00 0.00 ATOM 238 OE2 GLU 30 27.423 32.992 25.443 1.00 0.00 ATOM 239 O GLU 30 24.892 27.524 29.121 1.00 0.00 ATOM 240 C GLU 30 25.213 27.798 27.945 1.00 0.00 ATOM 241 N TYR 31 24.686 27.142 26.914 1.00 0.00 ATOM 242 CA TYR 31 23.590 26.198 27.100 1.00 0.00 ATOM 243 CB TYR 31 22.231 26.963 27.017 1.00 0.00 ATOM 244 CG TYR 31 21.042 26.328 27.699 1.00 0.00 ATOM 245 CD1 TYR 31 21.150 25.828 28.998 1.00 0.00 ATOM 246 CD2 TYR 31 19.810 26.269 27.056 1.00 0.00 ATOM 247 CE1 TYR 31 20.012 25.338 29.648 1.00 0.00 ATOM 248 CE2 TYR 31 18.690 25.708 27.665 1.00 0.00 ATOM 249 CZ TYR 31 18.783 25.287 28.989 1.00 0.00 ATOM 250 OH TYR 31 17.669 24.770 29.661 1.00 0.00 ATOM 251 O TYR 31 23.949 25.543 24.832 1.00 0.00 ATOM 252 C TYR 31 23.248 25.440 25.837 1.00 0.00 ATOM 253 N THR 32 22.173 24.665 25.899 1.00 0.00 ATOM 254 CA THR 32 21.728 23.867 24.766 1.00 0.00 ATOM 255 CB THR 32 20.530 23.031 25.203 1.00 0.00 ATOM 256 CG2 THR 32 20.035 22.170 24.063 1.00 0.00 ATOM 257 OG1 THR 32 21.012 22.186 26.253 1.00 0.00 ATOM 258 O THR 32 21.655 24.468 22.449 1.00 0.00 ATOM 259 C THR 32 21.261 24.720 23.588 1.00 0.00 ATOM 260 N TYR 33 20.414 25.794 23.841 1.00 0.00 ATOM 261 CA TYR 33 19.963 26.693 22.779 1.00 0.00 ATOM 262 CB TYR 33 19.235 27.893 23.283 1.00 0.00 ATOM 263 CG TYR 33 17.927 27.595 23.989 1.00 0.00 ATOM 264 CD1 TYR 33 16.989 26.729 23.442 1.00 0.00 ATOM 265 CD2 TYR 33 17.615 28.212 25.197 1.00 0.00 ATOM 266 CE1 TYR 33 15.788 26.473 24.090 1.00 0.00 ATOM 267 CE2 TYR 33 16.423 27.961 25.842 1.00 0.00 ATOM 268 CZ TYR 33 15.516 27.093 25.286 1.00 0.00 ATOM 269 OH TYR 33 14.325 26.858 25.940 1.00 0.00 ATOM 270 O TYR 33 21.183 27.056 20.745 1.00 0.00 ATOM 271 C TYR 33 21.141 27.208 21.965 1.00 0.00 ATOM 272 N ASP 34 22.132 27.754 22.658 1.00 0.00 ATOM 273 CA ASP 34 23.314 28.298 22.010 1.00 0.00 ATOM 274 CB ASP 34 24.237 28.953 23.106 1.00 0.00 ATOM 275 CG ASP 34 23.679 30.207 23.718 1.00 0.00 ATOM 276 OD1 ASP 34 23.536 31.209 22.984 1.00 0.00 ATOM 277 OD2 ASP 34 23.398 30.192 24.935 1.00 0.00 ATOM 278 O ASP 34 24.604 27.465 20.173 1.00 0.00 ATOM 279 C ASP 34 24.124 27.229 21.280 1.00 0.00 ATOM 280 N PHE 35 24.330 26.081 21.909 1.00 0.00 ATOM 281 CA PHE 35 25.077 25.016 21.255 1.00 0.00 ATOM 282 CB PHE 35 25.287 23.761 21.988 1.00 0.00 ATOM 283 CG PHE 35 26.567 23.697 22.718 1.00 0.00 ATOM 284 CD1 PHE 35 27.213 24.869 23.129 1.00 0.00 ATOM 285 CD2 PHE 35 27.143 22.491 23.030 1.00 0.00 ATOM 286 CE1 PHE 35 28.379 24.845 23.833 1.00 0.00 ATOM 287 CE2 PHE 35 28.367 22.420 23.702 1.00 0.00 ATOM 288 CZ PHE 35 28.946 23.625 24.122 1.00 0.00 ATOM 289 O PHE 35 25.045 24.437 18.915 1.00 0.00 ATOM 290 C PHE 35 24.391 24.612 19.951 1.00 0.00 ATOM 291 N LYS 36 23.072 24.466 19.997 1.00 0.00 ATOM 292 CA LYS 36 22.313 24.100 18.807 1.00 0.00 ATOM 293 CB LYS 36 20.820 24.025 19.127 1.00 0.00 ATOM 294 CG LYS 36 19.954 23.593 17.954 1.00 0.00 ATOM 295 CD LYS 36 18.494 23.464 18.360 1.00 0.00 ATOM 296 CE LYS 36 17.626 23.058 17.181 1.00 0.00 ATOM 297 NZ LYS 36 16.193 22.943 17.561 1.00 0.00 ATOM 298 O LYS 36 22.677 24.780 16.536 1.00 0.00 ATOM 299 C LYS 36 22.533 25.131 17.709 1.00 0.00 ATOM 300 N GLU 37 22.524 26.408 18.094 1.00 0.00 ATOM 301 CA GLU 37 22.709 27.475 17.122 1.00 0.00 ATOM 302 CB GLU 37 22.566 28.842 17.791 1.00 0.00 ATOM 303 CG GLU 37 22.685 30.017 16.833 1.00 0.00 ATOM 304 CD GLU 37 22.478 31.352 17.521 1.00 0.00 ATOM 305 OE1 GLU 37 22.224 31.358 18.745 1.00 0.00 ATOM 306 OE2 GLU 37 22.573 32.393 16.837 1.00 0.00 ATOM 307 O GLU 37 24.244 27.536 15.273 1.00 0.00 ATOM 308 C GLU 37 24.095 27.380 16.487 1.00 0.00 ATOM 309 N ILE 38 25.107 27.127 17.312 1.00 0.00 ATOM 310 CA ILE 38 26.472 26.995 16.820 1.00 0.00 ATOM 311 CB ILE 38 27.444 26.849 18.069 1.00 0.00 ATOM 312 CG1 ILE 38 27.474 28.128 18.896 1.00 0.00 ATOM 313 CG2 ILE 38 28.861 26.515 17.612 1.00 0.00 ATOM 314 CD1 ILE 38 28.384 28.016 20.103 1.00 0.00 ATOM 315 O ILE 38 27.329 25.928 14.843 1.00 0.00 ATOM 316 C ILE 38 26.578 25.849 15.821 1.00 0.00 ATOM 317 N LEU 39 25.802 24.818 16.086 1.00 0.00 ATOM 318 CA LEU 39 25.803 23.684 15.199 1.00 0.00 ATOM 319 CB LEU 39 25.375 22.393 15.943 1.00 0.00 ATOM 320 CG LEU 39 26.311 22.081 17.135 1.00 0.00 ATOM 321 CD1 LEU 39 25.834 20.891 17.940 1.00 0.00 ATOM 322 CD2 LEU 39 27.727 21.902 16.591 1.00 0.00 ATOM 323 O LEU 39 25.056 23.099 12.992 1.00 0.00 ATOM 324 C LEU 39 24.876 23.790 13.992 1.00 0.00 ATOM 325 N SER 40 24.012 24.755 13.989 1.00 0.00 ATOM 326 CA SER 40 23.045 24.977 12.918 1.00 0.00 ATOM 327 CB SER 40 21.635 25.057 13.504 1.00 0.00 ATOM 328 OG SER 40 21.523 26.131 14.423 1.00 0.00 ATOM 329 O SER 40 22.194 26.730 11.453 1.00 0.00 ATOM 330 C SER 40 23.177 26.243 12.051 1.00 0.00 ATOM 331 N GLU 41 24.388 26.855 12.001 1.00 0.00 ATOM 332 CA GLU 41 24.639 28.088 11.248 1.00 0.00 ATOM 333 CB GLU 41 25.831 28.869 11.876 1.00 0.00 ATOM 334 CG GLU 41 25.745 29.065 13.385 1.00 0.00 ATOM 335 CD GLU 41 26.825 29.988 13.928 1.00 0.00 ATOM 336 OE1 GLU 41 27.979 29.913 13.453 1.00 0.00 ATOM 337 OE2 GLU 41 26.517 30.779 14.845 1.00 0.00 ATOM 338 O GLU 41 25.516 26.908 9.539 1.00 0.00 ATOM 339 C GLU 41 24.806 27.899 9.757 1.00 0.00 ATOM 340 N PHE 42 23.096 27.354 9.210 1.00 0.00 ATOM 341 CA PHE 42 22.135 26.363 8.746 1.00 0.00 ATOM 342 CB PHE 42 22.776 24.975 8.709 1.00 0.00 ATOM 343 CG PHE 42 23.865 24.835 7.682 1.00 0.00 ATOM 344 CD1 PHE 42 25.195 24.967 8.043 1.00 0.00 ATOM 345 CD2 PHE 42 23.559 24.575 6.358 1.00 0.00 ATOM 346 CE1 PHE 42 26.195 24.839 7.098 1.00 0.00 ATOM 347 CE2 PHE 42 24.561 24.448 5.416 1.00 0.00 ATOM 348 CZ PHE 42 25.874 24.579 5.780 1.00 0.00 ATOM 349 O PHE 42 20.621 25.214 10.200 1.00 0.00 ATOM 350 C PHE 42 20.903 26.270 9.637 1.00 0.00 ATOM 351 N ASN 43 20.289 27.415 9.974 1.00 0.00 ATOM 352 CA ASN 43 19.104 27.305 10.826 1.00 0.00 ATOM 353 CB ASN 43 18.536 28.691 11.133 1.00 0.00 ATOM 354 CG ASN 43 19.430 29.496 12.056 1.00 0.00 ATOM 355 ND2 ASN 43 19.289 30.815 12.011 1.00 0.00 ATOM 356 OD1 ASN 43 20.233 28.936 12.800 1.00 0.00 ATOM 357 O ASN 43 17.791 26.597 8.927 1.00 0.00 ATOM 358 C ASN 43 18.006 26.484 10.135 1.00 0.00 ATOM 359 N GLY 44 17.320 25.655 10.916 1.00 0.00 ATOM 360 CA GLY 44 16.248 24.831 10.383 1.00 0.00 ATOM 361 O GLY 44 15.836 22.846 9.116 1.00 0.00 ATOM 362 C GLY 44 16.676 23.577 9.634 1.00 0.00 ATOM 363 N LYS 45 17.964 23.261 9.667 1.00 0.00 ATOM 364 CA LYS 45 18.464 22.089 8.957 1.00 0.00 ATOM 365 CB LYS 45 19.581 22.490 7.905 1.00 0.00 ATOM 366 CG LYS 45 19.213 23.536 6.810 1.00 0.00 ATOM 367 CD LYS 45 17.887 23.294 6.116 1.00 0.00 ATOM 368 CE LYS 45 17.603 24.380 5.014 1.00 0.00 ATOM 369 NZ LYS 45 18.852 24.923 4.403 1.00 0.00 ATOM 370 O LYS 45 19.367 20.921 10.849 1.00 0.00 ATOM 371 C LYS 45 18.614 20.878 9.872 1.00 0.00 ATOM 372 N ASN 46 18.004 19.762 9.484 1.00 0.00 ATOM 373 CA ASN 46 18.129 18.531 10.259 1.00 0.00 ATOM 374 CB ASN 46 16.981 17.564 9.873 1.00 0.00 ATOM 375 CG ASN 46 16.937 16.321 10.743 1.00 0.00 ATOM 376 ND2 ASN 46 16.654 16.495 12.035 1.00 0.00 ATOM 377 OD1 ASN 46 17.227 15.231 10.279 1.00 0.00 ATOM 378 O ASN 46 20.142 17.857 9.169 1.00 0.00 ATOM 379 C ASN 46 19.584 18.083 10.234 1.00 0.00 ATOM 380 N VAL 47 20.169 17.870 11.407 1.00 0.00 ATOM 381 CA VAL 47 21.562 17.443 11.481 1.00 0.00 ATOM 382 CB VAL 47 22.468 18.639 11.909 1.00 0.00 ATOM 383 CG1 VAL 47 22.233 19.825 11.003 1.00 0.00 ATOM 384 CG2 VAL 47 22.173 19.008 13.349 1.00 0.00 ATOM 385 O VAL 47 20.921 16.098 13.364 1.00 0.00 ATOM 386 C VAL 47 21.772 16.346 12.507 1.00 0.00 ATOM 387 N SER 48 22.945 15.729 12.436 1.00 0.00 ATOM 388 CA SER 48 23.350 14.723 13.406 1.00 0.00 ATOM 389 CB SER 48 23.657 13.389 12.725 1.00 0.00 ATOM 390 OG SER 48 24.114 12.431 13.661 1.00 0.00 ATOM 391 O SER 48 25.612 15.489 13.320 1.00 0.00 ATOM 392 C SER 48 24.633 15.249 14.025 1.00 0.00 ATOM 393 N ILE 49 24.621 15.461 15.361 1.00 0.00 ATOM 394 CA ILE 49 25.790 15.971 16.056 1.00 0.00 ATOM 395 CB ILE 49 25.360 17.177 16.914 1.00 0.00 ATOM 396 CG1 ILE 49 24.670 18.229 16.043 1.00 0.00 ATOM 397 CG2 ILE 49 26.568 17.817 17.577 1.00 0.00 ATOM 398 CD1 ILE 49 25.559 18.816 14.970 1.00 0.00 ATOM 399 O ILE 49 25.796 14.241 17.680 1.00 0.00 ATOM 400 C ILE 49 26.460 14.907 16.965 1.00 0.00 ATOM 401 N THR 50 27.716 14.895 16.793 1.00 0.00 ATOM 402 CA THR 50 28.477 14.047 17.701 1.00 0.00 ATOM 403 CB THR 50 29.069 12.854 16.925 1.00 0.00 ATOM 404 CG2 THR 50 27.963 12.064 16.244 1.00 0.00 ATOM 405 OG1 THR 50 29.979 13.335 15.928 1.00 0.00 ATOM 406 O THR 50 30.240 15.651 17.595 1.00 0.00 ATOM 407 C THR 50 29.680 14.773 18.253 1.00 0.00 ATOM 408 N VAL 51 30.109 14.371 19.441 1.00 0.00 ATOM 409 CA VAL 51 31.264 14.985 20.072 1.00 0.00 ATOM 410 CB VAL 51 30.874 15.937 21.225 1.00 0.00 ATOM 411 CG1 VAL 51 30.098 17.118 20.653 1.00 0.00 ATOM 412 CG2 VAL 51 30.049 15.195 22.291 1.00 0.00 ATOM 413 O VAL 51 31.782 12.756 20.943 1.00 0.00 ATOM 414 C VAL 51 32.196 13.888 20.626 1.00 0.00 ATOM 415 N LYS 52 33.471 14.224 20.742 1.00 0.00 ATOM 416 CA LYS 52 34.415 13.289 21.279 1.00 0.00 ATOM 417 CB LYS 52 35.757 13.431 20.557 1.00 0.00 ATOM 418 CG LYS 52 36.792 12.391 20.958 1.00 0.00 ATOM 419 CD LYS 52 38.109 12.613 20.232 1.00 0.00 ATOM 420 CE LYS 52 39.140 11.567 20.627 1.00 0.00 ATOM 421 NZ LYS 52 40.432 11.770 19.917 1.00 0.00 ATOM 422 O LYS 52 34.898 14.710 23.144 1.00 0.00 ATOM 423 C LYS 52 34.602 13.573 22.764 1.00 0.00 ATOM 424 N GLU 53 34.353 12.583 23.611 1.00 0.00 ATOM 425 CA GLU 53 34.499 12.780 25.046 1.00 0.00 ATOM 426 CB GLU 53 34.158 11.491 25.797 1.00 0.00 ATOM 427 CG GLU 53 34.174 11.650 27.311 1.00 0.00 ATOM 428 CD GLU 53 33.898 10.355 28.047 1.00 0.00 ATOM 429 OE1 GLU 53 33.723 9.309 27.386 1.00 0.00 ATOM 430 OE2 GLU 53 33.857 10.381 29.296 1.00 0.00 ATOM 431 O GLU 53 36.784 12.665 24.730 1.00 0.00 ATOM 432 C GLU 53 35.915 13.216 25.404 1.00 0.00 ATOM 433 N GLU 54 36.669 10.678 25.303 1.00 0.00 ATOM 434 CA GLU 54 37.264 10.330 24.056 1.00 0.00 ATOM 435 CB GLU 54 38.842 10.183 24.256 1.00 0.00 ATOM 436 CG GLU 54 39.300 8.908 24.929 1.00 0.00 ATOM 437 CD GLU 54 39.102 8.879 26.443 1.00 0.00 ATOM 438 OE1 GLU 54 38.680 9.898 27.064 1.00 0.00 ATOM 439 OE2 GLU 54 39.348 7.798 27.016 1.00 0.00 ATOM 440 O GLU 54 36.715 9.433 21.884 1.00 0.00 ATOM 441 C GLU 54 36.379 9.539 23.075 1.00 0.00 ATOM 442 N ASN 55 35.292 8.994 23.597 1.00 0.00 ATOM 443 CA ASN 55 34.363 8.221 22.761 1.00 0.00 ATOM 444 CB ASN 55 33.550 7.223 23.587 1.00 0.00 ATOM 445 CG ASN 55 32.755 6.262 22.724 1.00 0.00 ATOM 446 ND2 ASN 55 31.687 5.709 23.285 1.00 0.00 ATOM 447 OD1 ASN 55 33.101 6.020 21.567 1.00 0.00 ATOM 448 O ASN 55 33.012 10.203 22.581 1.00 0.00 ATOM 449 C ASN 55 33.428 9.184 22.029 1.00 0.00 ATOM 450 N GLU 56 33.076 8.833 20.728 1.00 0.00 ATOM 451 CA GLU 56 32.157 9.660 19.968 1.00 0.00 ATOM 452 CB GLU 56 32.181 9.424 18.457 1.00 0.00 ATOM 453 CG GLU 56 31.346 10.412 17.658 1.00 0.00 ATOM 454 CD GLU 56 31.439 10.179 16.164 1.00 0.00 ATOM 455 OE1 GLU 56 32.234 9.311 15.746 1.00 0.00 ATOM 456 OE2 GLU 56 30.720 10.868 15.409 1.00 0.00 ATOM 457 O GLU 56 30.249 8.271 20.401 1.00 0.00 ATOM 458 C GLU 56 30.756 9.394 20.492 1.00 0.00 ATOM 459 N LEU 57 30.141 10.420 21.070 1.00 0.00 ATOM 460 CA LEU 57 28.803 10.289 21.617 1.00 0.00 ATOM 461 CB LEU 57 28.845 10.432 23.158 1.00 0.00 ATOM 462 CG LEU 57 29.531 9.419 24.067 1.00 0.00 ATOM 463 CD1 LEU 57 29.593 9.989 25.484 1.00 0.00 ATOM 464 CD2 LEU 57 28.760 8.107 24.053 1.00 0.00 ATOM 465 O LEU 57 28.266 12.405 20.614 1.00 0.00 ATOM 466 C LEU 57 27.859 11.293 20.961 1.00 0.00 ATOM 467 N PRO 58 26.593 10.882 20.791 1.00 0.00 ATOM 468 CA PRO 58 25.637 11.779 20.137 1.00 0.00 ATOM 469 CB PRO 58 24.461 10.849 19.846 1.00 0.00 ATOM 470 CG PRO 58 24.480 9.934 21.025 1.00 0.00 ATOM 471 CD PRO 58 25.950 9.616 21.179 1.00 0.00 ATOM 472 O PRO 58 25.174 12.882 22.229 1.00 0.00 ATOM 473 C PRO 58 25.278 12.982 21.002 1.00 0.00 ATOM 474 N VAL 59 25.157 14.136 20.373 1.00 0.00 ATOM 475 CA VAL 59 24.778 15.388 21.019 1.00 0.00 ATOM 476 CB VAL 59 25.764 16.534 20.647 1.00 0.00 ATOM 477 CG1 VAL 59 25.389 17.823 21.367 1.00 0.00 ATOM 478 CG2 VAL 59 27.187 16.130 20.988 1.00 0.00 ATOM 479 O VAL 59 23.121 16.239 19.493 1.00 0.00 ATOM 480 C VAL 59 23.348 15.653 20.554 1.00 0.00 ATOM 481 N LYS 60 22.378 15.181 21.349 1.00 0.00 ATOM 482 CA LYS 60 20.971 15.321 21.006 1.00 0.00 ATOM 483 CB LYS 60 20.075 14.491 21.859 1.00 0.00 ATOM 484 CG LYS 60 19.595 13.246 21.145 1.00 0.00 ATOM 485 CD LYS 60 18.540 13.612 20.101 1.00 0.00 ATOM 486 CE LYS 60 17.940 12.399 19.401 1.00 0.00 ATOM 487 NZ LYS 60 17.373 11.400 20.359 1.00 0.00 ATOM 488 O LYS 60 19.053 16.734 20.877 1.00 0.00 ATOM 489 C LYS 60 20.125 16.505 21.439 1.00 0.00 ATOM 490 N GLY 61 20.562 17.261 22.388 1.00 0.00 ATOM 491 CA GLY 61 19.793 18.321 23.000 1.00 0.00 ATOM 492 O GLY 61 18.671 16.381 23.759 1.00 0.00 ATOM 493 C GLY 61 19.080 17.496 24.042 1.00 0.00 ATOM 494 N VAL 62 19.075 17.859 25.242 1.00 0.00 ATOM 495 CA VAL 62 18.458 17.117 26.332 1.00 0.00 ATOM 496 CB VAL 62 18.446 17.924 27.666 1.00 0.00 ATOM 497 CG1 VAL 62 17.456 19.097 27.603 1.00 0.00 ATOM 498 CG2 VAL 62 18.112 17.005 28.828 1.00 0.00 ATOM 499 O VAL 62 16.586 15.611 26.348 1.00 0.00 ATOM 500 C VAL 62 16.991 16.747 26.122 1.00 0.00 ATOM 501 N GLU 63 16.193 17.720 25.718 1.00 0.00 ATOM 502 CA GLU 63 14.760 17.466 25.558 1.00 0.00 ATOM 503 CB GLU 63 14.045 18.796 25.244 1.00 0.00 ATOM 504 CG GLU 63 12.542 18.705 25.068 1.00 0.00 ATOM 505 CD GLU 63 11.849 18.179 26.308 1.00 0.00 ATOM 506 OE1 GLU 63 12.432 18.298 27.408 1.00 0.00 ATOM 507 OE2 GLU 63 10.723 17.652 26.193 1.00 0.00 ATOM 508 O GLU 63 13.626 15.630 24.537 1.00 0.00 ATOM 509 C GLU 63 14.491 16.492 24.421 1.00 0.00 ATOM 510 N MET 64 15.173 16.693 23.306 1.00 0.00 ATOM 511 CA MET 64 15.054 15.764 22.168 1.00 0.00 ATOM 512 CB MET 64 15.952 15.981 21.047 1.00 0.00 ATOM 513 CG MET 64 15.610 17.244 20.280 1.00 0.00 ATOM 514 SD MET 64 16.798 17.636 18.984 1.00 0.00 ATOM 515 CE MET 64 16.447 19.327 18.772 1.00 0.00 ATOM 516 O MET 64 14.657 13.406 22.448 1.00 0.00 ATOM 517 C MET 64 15.413 14.370 22.657 1.00 0.00 ATOM 518 N ALA 65 16.623 14.225 23.192 1.00 0.00 ATOM 519 CA ALA 65 17.073 12.896 23.642 1.00 0.00 ATOM 520 CB ALA 65 18.505 12.947 24.139 1.00 0.00 ATOM 521 O ALA 65 15.870 11.112 24.767 1.00 0.00 ATOM 522 C ALA 65 16.166 12.332 24.755 1.00 0.00 ATOM 523 N GLY 66 15.732 13.216 25.671 1.00 0.00 ATOM 524 CA GLY 66 14.874 12.819 26.757 1.00 0.00 ATOM 525 O GLY 66 15.089 11.401 28.673 1.00 0.00 ATOM 526 C GLY 66 15.663 12.099 27.842 1.00 0.00 ATOM 527 N ASP 67 16.998 12.261 27.791 1.00 0.00 ATOM 528 CA ASP 67 17.901 11.539 28.664 1.00 0.00 ATOM 529 CB ASP 67 18.718 10.560 27.818 1.00 0.00 ATOM 530 CG ASP 67 19.612 9.660 28.653 1.00 0.00 ATOM 531 OD1 ASP 67 19.814 9.948 29.849 1.00 0.00 ATOM 532 OD2 ASP 67 20.137 8.659 28.116 1.00 0.00 ATOM 533 O ASP 67 19.529 13.285 28.950 1.00 0.00 ATOM 534 C ASP 67 18.706 12.545 29.489 1.00 0.00 ATOM 535 N PRO 68 18.520 12.539 30.823 1.00 0.00 ATOM 536 CA PRO 68 19.230 13.449 31.728 1.00 0.00 ATOM 537 CB PRO 68 18.790 12.969 33.107 1.00 0.00 ATOM 538 CG PRO 68 17.390 12.525 32.858 1.00 0.00 ATOM 539 CD PRO 68 17.516 11.753 31.562 1.00 0.00 ATOM 540 O PRO 68 21.426 14.407 31.654 1.00 0.00 ATOM 541 C PRO 68 20.750 13.382 31.594 1.00 0.00 ATOM 542 N LEU 69 21.289 12.175 31.423 1.00 0.00 ATOM 543 CA LEU 69 22.730 12.037 31.286 1.00 0.00 ATOM 544 CB LEU 69 23.104 10.535 31.416 1.00 0.00 ATOM 545 CG LEU 69 22.837 9.867 32.755 1.00 0.00 ATOM 546 CD1 LEU 69 23.076 8.378 32.632 1.00 0.00 ATOM 547 CD2 LEU 69 23.707 10.472 33.862 1.00 0.00 ATOM 548 O LEU 69 24.244 13.354 29.975 1.00 0.00 ATOM 549 C LEU 69 23.212 12.686 29.988 1.00 0.00 ATOM 550 N GLU 70 22.428 12.563 28.920 1.00 0.00 ATOM 551 CA GLU 70 22.816 13.170 27.653 1.00 0.00 ATOM 552 CB GLU 70 21.925 12.817 26.531 1.00 0.00 ATOM 553 CG GLU 70 21.905 11.325 26.220 1.00 0.00 ATOM 554 CD GLU 70 20.958 10.983 25.084 1.00 0.00 ATOM 555 OE1 GLU 70 21.106 11.564 23.987 1.00 0.00 ATOM 556 OE2 GLU 70 20.067 10.129 25.285 1.00 0.00 ATOM 557 O GLU 70 23.521 15.391 27.076 1.00 0.00 ATOM 558 C GLU 70 22.810 14.679 27.794 1.00 0.00 ATOM 559 N HIS 71 21.883 15.221 28.630 1.00 0.00 ATOM 560 CA HIS 71 21.871 16.662 28.825 1.00 0.00 ATOM 561 CB HIS 71 20.824 17.039 29.828 1.00 0.00 ATOM 562 CG HIS 71 20.999 18.411 30.398 1.00 0.00 ATOM 563 CD2 HIS 71 21.276 18.824 31.658 1.00 0.00 ATOM 564 ND1 HIS 71 20.930 19.551 29.629 1.00 0.00 ATOM 565 CE1 HIS 71 21.159 20.608 30.388 1.00 0.00 ATOM 566 NE2 HIS 71 21.374 20.194 31.623 1.00 0.00 ATOM 567 O HIS 71 23.864 18.011 28.879 1.00 0.00 ATOM 568 C HIS 71 23.243 17.057 29.357 1.00 0.00 ATOM 569 N HIS 72 23.774 16.282 30.316 1.00 0.00 ATOM 570 CA HIS 72 25.098 16.547 30.831 1.00 0.00 ATOM 571 CB HIS 72 25.414 15.506 31.917 1.00 0.00 ATOM 572 CG HIS 72 26.870 15.409 32.251 1.00 0.00 ATOM 573 CD2 HIS 72 27.632 16.087 33.143 1.00 0.00 ATOM 574 ND1 HIS 72 27.720 14.515 31.622 1.00 0.00 ATOM 575 CE1 HIS 72 28.945 14.666 32.100 1.00 0.00 ATOM 576 NE2 HIS 72 28.921 15.614 33.022 1.00 0.00 ATOM 577 O HIS 72 27.081 17.244 29.658 1.00 0.00 ATOM 578 C HIS 72 26.158 16.416 29.754 1.00 0.00 ATOM 579 N HIS 73 26.026 15.361 28.963 1.00 0.00 ATOM 580 CA HIS 73 26.958 15.034 27.884 1.00 0.00 ATOM 581 CB HIS 73 26.546 13.846 27.106 1.00 0.00 ATOM 582 CG HIS 73 27.398 13.573 25.904 1.00 0.00 ATOM 583 CD2 HIS 73 27.098 13.568 24.583 1.00 0.00 ATOM 584 ND1 HIS 73 28.735 13.250 25.994 1.00 0.00 ATOM 585 CE1 HIS 73 29.220 13.057 24.781 1.00 0.00 ATOM 586 NE2 HIS 73 28.248 13.244 23.907 1.00 0.00 ATOM 587 O HIS 73 28.084 16.639 26.452 1.00 0.00 ATOM 588 C HIS 73 26.999 16.192 26.861 1.00 0.00 ATOM 589 N HIS 74 25.844 16.627 26.403 1.00 0.00 ATOM 590 CA HIS 74 25.718 17.716 25.433 1.00 0.00 ATOM 591 CB HIS 74 24.254 17.967 25.154 1.00 0.00 ATOM 592 CG HIS 74 24.039 19.169 24.288 1.00 0.00 ATOM 593 CD2 HIS 74 23.701 20.440 24.647 1.00 0.00 ATOM 594 ND1 HIS 74 24.190 19.173 22.936 1.00 0.00 ATOM 595 CE1 HIS 74 23.944 20.401 22.493 1.00 0.00 ATOM 596 NE2 HIS 74 23.640 21.177 23.508 1.00 0.00 ATOM 597 O HIS 74 27.220 19.610 25.216 1.00 0.00 ATOM 598 C HIS 74 26.411 19.002 25.936 1.00 0.00 ATOM 599 N HIS 75 26.157 19.352 27.188 1.00 0.00 ATOM 600 CA HIS 75 26.772 20.533 27.786 1.00 0.00 ATOM 601 CB HIS 75 26.145 20.857 29.154 1.00 0.00 ATOM 602 CG HIS 75 26.941 21.819 29.980 1.00 0.00 ATOM 603 CD2 HIS 75 26.935 23.173 30.034 1.00 0.00 ATOM 604 ND1 HIS 75 27.891 21.404 30.897 1.00 0.00 ATOM 605 CE1 HIS 75 28.447 22.464 31.462 1.00 0.00 ATOM 606 NE2 HIS 75 27.887 23.550 30.954 1.00 0.00 ATOM 607 O HIS 75 29.097 21.257 27.706 1.00 0.00 ATOM 608 C HIS 75 28.310 20.359 27.978 1.00 0.00 ATOM 609 N HIS 76 28.728 19.175 28.371 1.00 0.00 ATOM 610 CA HIS 76 30.148 18.870 28.590 1.00 0.00 ATOM 611 CB HIS 76 30.285 17.478 29.199 1.00 0.00 ATOM 612 CG HIS 76 31.705 17.033 29.363 1.00 0.00 ATOM 613 CD2 HIS 76 32.449 16.145 28.664 1.00 0.00 ATOM 614 ND1 HIS 76 32.537 17.546 30.336 1.00 0.00 ATOM 615 CE1 HIS 76 33.732 16.992 30.227 1.00 0.00 ATOM 616 NE2 HIS 76 33.705 16.137 29.219 1.00 0.00 ATOM 617 O HIS 76 32.037 19.473 27.230 1.00 0.00 ATOM 618 C HIS 76 30.918 18.947 27.283 1.00 0.00 TER END