PFRMAT TS TARGET T0349 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD One new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD For T0349 we has some weak fold-recognition hits, but had difficulty METHOD with the alignment and the loops. Strand shifts of 1 in different METHOD models were annoyingly common. METHOD METHOD We build several models with different cost functions and ended up METHOD with two choices for the C-terminus: a helix, or an extra strand on METHOD the sheet. We prefer the strand at the end, though our neural nets METHOD slightly favored helix. METHOD METHOD We had a huge variety of loops for V29-P45, some almost forming METHOD hairpins, others prefering helices. None of the loops seem quite METHOD right, and some seem quite wrong. We picked out 5 models to represent METHOD the range of possibilities, making sure to have some models from ach METHOD of the choices of C-terminus. METHOD METHOD Model 1 is try20-opt2, the best-scoring with the unconstrained METHOD costfcn. Rosetta likes repacking the backbone, despite the METHOD bad break before L30. This has C-terminal strand, but the METHOD kink at L30 seems impossible. METHOD METHOD Model 2 is try2-opt2, the second best with the unconstrained costfcn. METHOD It has a somewhat better C-terminal strand and a more METHOD plausible loop. METHOD METHOD Model 3 is try19-opt2, the best-scoring model with a C-terminal helix. METHOD METHOD Model 4 is try4-opt2.gromacs0.repack-nonPC, rosetta's favorite among METHOD the models with C-terminal helices. (Third favorite METHOD overall---the first two are very similar to try20-opt2, so METHOD were not submitted.) METHOD METHOD Model 5 is try11-opt2, which does not score particularly well, but METHOD which has yet another reasonable loop. METHOD REMARK 6 REMARK 6 T0349 model 3 Sun Jul 16 10:33:46 2006 MODEL 3 PARENT 1zhv_A 1vjq_A 1yj7_A 1g61_A 1kwm_A REMARK 7 REMARK 7 ALLPARENTS 1zhv_A 1vjq_A 1yj7_A 1g61_A 1kwm_A 1dzk_A 2f06_A REMARK 7 ALLPARENTS 1zvp_A 1nm2_A 1hdo_A 1v6s_A 1ve1_A 1gnk_A 1jbe_A REMARK 7 ALLPARENTS 1pba 2cvl_A 1gt1_A 2guk_A 1gnk_A 1kwm_A ATOM 1 N MET 1 17.263 13.737 22.491 1.00 0.00 ATOM 2 CA MET 1 17.802 12.720 23.424 1.00 0.00 ATOM 3 CB MET 1 17.670 11.324 22.816 1.00 0.00 ATOM 4 CG MET 1 16.235 10.845 22.647 1.00 0.00 ATOM 5 SD MET 1 16.131 9.236 21.837 1.00 0.00 ATOM 6 CE MET 1 16.690 8.158 23.153 1.00 0.00 ATOM 7 O MET 1 19.611 12.889 24.954 1.00 0.00 ATOM 8 C MET 1 19.259 13.018 23.791 1.00 0.00 ATOM 9 N ARG 2 20.052 13.437 22.815 1.00 0.00 ATOM 10 CA ARG 2 21.472 13.774 23.023 1.00 0.00 ATOM 11 CB ARG 2 22.389 12.791 22.311 1.00 0.00 ATOM 12 CG ARG 2 22.333 11.365 22.839 1.00 0.00 ATOM 13 CD ARG 2 22.853 11.204 24.220 1.00 0.00 ATOM 14 NE ARG 2 22.862 9.833 24.704 1.00 0.00 ATOM 15 CZ ARG 2 21.818 9.226 25.300 1.00 0.00 ATOM 16 NH1 ARG 2 20.694 9.871 25.521 1.00 0.00 ATOM 17 NH2 ARG 2 21.959 7.968 25.679 1.00 0.00 ATOM 18 O ARG 2 21.418 15.578 21.444 1.00 0.00 ATOM 19 C ARG 2 21.683 15.218 22.598 1.00 0.00 ATOM 20 N GLU 3 22.110 16.030 23.548 1.00 0.00 ATOM 21 CA GLU 3 22.353 17.447 23.269 1.00 0.00 ATOM 22 CB GLU 3 22.653 18.202 24.565 1.00 0.00 ATOM 23 CG GLU 3 21.483 18.278 25.535 1.00 0.00 ATOM 24 CD GLU 3 21.420 17.058 26.411 1.00 0.00 ATOM 25 OE1 GLU 3 22.207 16.165 26.211 1.00 0.00 ATOM 26 OE2 GLU 3 20.662 17.066 27.353 1.00 0.00 ATOM 27 O GLU 3 24.510 16.971 22.338 1.00 0.00 ATOM 28 C GLU 3 23.478 17.638 22.260 1.00 0.00 ATOM 29 N LEU 4 23.263 18.565 21.345 1.00 0.00 ATOM 30 CA LEU 4 24.274 18.858 20.334 1.00 0.00 ATOM 31 CB LEU 4 23.618 19.178 19.002 1.00 0.00 ATOM 32 CG LEU 4 22.842 18.050 18.363 1.00 0.00 ATOM 33 CD1 LEU 4 22.257 18.667 17.100 1.00 0.00 ATOM 34 CD2 LEU 4 23.785 16.917 17.988 1.00 0.00 ATOM 35 O LEU 4 26.285 20.043 20.854 1.00 0.00 ATOM 36 C LEU 4 25.064 20.086 20.777 1.00 0.00 ATOM 37 N LEU 5 24.099 21.089 20.925 1.00 0.00 ATOM 38 CA LEU 5 24.646 22.412 21.240 1.00 0.00 ATOM 39 CB LEU 5 24.944 23.184 19.948 1.00 0.00 ATOM 40 CG LEU 5 26.185 22.715 19.179 1.00 0.00 ATOM 41 CD1 LEU 5 26.336 23.516 17.893 1.00 0.00 ATOM 42 CD2 LEU 5 27.417 22.869 20.059 1.00 0.00 ATOM 43 O LEU 5 22.570 23.522 21.801 1.00 0.00 ATOM 44 C LEU 5 23.768 23.348 22.030 1.00 0.00 ATOM 45 N ARG 6 24.441 23.960 22.996 1.00 0.00 ATOM 46 CA ARG 6 23.836 24.921 23.897 1.00 0.00 ATOM 47 CB ARG 6 24.029 24.520 25.352 1.00 0.00 ATOM 48 CG ARG 6 25.458 24.622 25.859 1.00 0.00 ATOM 49 CD ARG 6 26.282 23.409 25.617 1.00 0.00 ATOM 50 NE ARG 6 25.799 22.210 26.283 1.00 0.00 ATOM 51 CZ ARG 6 26.294 20.974 26.084 1.00 0.00 ATOM 52 NH1 ARG 6 27.257 20.759 25.215 1.00 0.00 ATOM 53 NH2 ARG 6 25.767 19.972 26.770 1.00 0.00 ATOM 54 O ARG 6 25.421 26.277 22.815 1.00 0.00 ATOM 55 C ARG 6 24.431 26.286 23.537 1.00 0.00 ATOM 56 N THR 7 23.812 27.315 24.241 1.00 0.00 ATOM 57 CA THR 7 24.352 28.695 24.175 1.00 0.00 ATOM 58 CB THR 7 25.837 28.777 24.600 1.00 0.00 ATOM 59 CG2 THR 7 26.134 28.223 25.961 1.00 0.00 ATOM 60 OG1 THR 7 26.640 28.028 23.647 1.00 0.00 ATOM 61 O THR 7 24.827 30.330 22.482 1.00 0.00 ATOM 62 C THR 7 24.152 29.358 22.801 1.00 0.00 ATOM 63 N ASN 8 23.192 28.869 22.026 1.00 0.00 ATOM 64 CA ASN 8 22.975 29.403 20.672 1.00 0.00 ATOM 65 CB ASN 8 22.374 28.351 19.743 1.00 0.00 ATOM 66 CG ASN 8 23.332 27.196 19.508 1.00 0.00 ATOM 67 ND2 ASN 8 22.907 26.020 19.913 1.00 0.00 ATOM 68 OD1 ASN 8 24.410 27.282 18.951 1.00 0.00 ATOM 69 O ASN 8 21.153 30.660 21.567 1.00 0.00 ATOM 70 C ASN 8 22.062 30.619 20.724 1.00 0.00 ATOM 71 N ASP 9 22.252 31.506 19.758 1.00 0.00 ATOM 72 CA ASP 9 21.273 32.568 19.493 1.00 0.00 ATOM 73 CB ASP 9 21.883 33.639 18.584 1.00 0.00 ATOM 74 CG ASP 9 21.136 34.966 18.587 1.00 0.00 ATOM 75 OD1 ASP 9 20.204 35.099 19.344 1.00 0.00 ATOM 76 OD2 ASP 9 21.595 35.885 17.952 1.00 0.00 ATOM 77 O ASP 9 20.088 30.866 18.272 1.00 0.00 ATOM 78 C ASP 9 20.038 31.953 18.851 1.00 0.00 ATOM 79 N ALA 10 18.916 32.657 18.976 1.00 0.00 ATOM 80 CA ALA 10 17.662 32.199 18.337 1.00 0.00 ATOM 81 CB ALA 10 16.498 33.138 18.663 1.00 0.00 ATOM 82 O ALA 10 17.304 31.141 16.205 1.00 0.00 ATOM 83 C ALA 10 17.818 32.078 16.819 1.00 0.00 ATOM 84 N VAL 11 18.528 33.038 16.182 1.00 0.00 ATOM 85 CA VAL 11 18.742 33.026 14.739 1.00 0.00 ATOM 86 CB VAL 11 19.456 34.305 14.263 1.00 0.00 ATOM 87 CG1 VAL 11 19.878 34.171 12.809 1.00 0.00 ATOM 88 CG2 VAL 11 18.556 35.517 14.446 1.00 0.00 ATOM 89 O VAL 11 19.294 31.101 13.418 1.00 0.00 ATOM 90 C VAL 11 19.628 31.853 14.332 1.00 0.00 ATOM 91 N LEU 12 20.755 31.687 15.009 1.00 0.00 ATOM 92 CA LEU 12 21.679 30.598 14.698 1.00 0.00 ATOM 93 CB LEU 12 23.008 30.808 15.479 1.00 0.00 ATOM 94 CG LEU 12 24.005 29.645 15.364 1.00 0.00 ATOM 95 CD1 LEU 12 24.475 29.486 13.919 1.00 0.00 ATOM 96 CD2 LEU 12 25.192 29.900 16.277 1.00 0.00 ATOM 97 O LEU 12 21.219 28.313 14.145 1.00 0.00 ATOM 98 C LEU 12 21.069 29.224 14.964 1.00 0.00 ATOM 99 N LEU 13 20.387 29.081 16.087 1.00 0.00 ATOM 100 CA LEU 13 19.752 27.801 16.389 1.00 0.00 ATOM 101 CB LEU 13 19.021 27.862 17.729 1.00 0.00 ATOM 102 CG LEU 13 18.500 26.453 18.013 1.00 0.00 ATOM 103 CD1 LEU 13 18.328 26.136 19.465 1.00 0.00 ATOM 104 CD2 LEU 13 17.147 26.215 17.400 1.00 0.00 ATOM 105 O LEU 13 18.506 26.379 14.887 1.00 0.00 ATOM 106 C LEU 13 18.685 27.515 15.313 1.00 0.00 ATOM 107 N SER 14 17.955 28.530 14.860 1.00 0.00 ATOM 108 CA SER 14 17.029 28.303 13.731 1.00 0.00 ATOM 109 CB SER 14 16.276 29.593 13.421 1.00 0.00 ATOM 110 OG SER 14 15.391 29.909 14.491 1.00 0.00 ATOM 111 O SER 14 17.271 26.914 11.788 1.00 0.00 ATOM 112 C SER 14 17.736 27.841 12.458 1.00 0.00 ATOM 113 N ALA 15 18.857 28.488 12.114 1.00 0.00 ATOM 114 CA ALA 15 19.619 28.098 10.920 1.00 0.00 ATOM 115 CB ALA 15 20.830 29.035 10.779 1.00 0.00 ATOM 116 O ALA 15 19.910 25.876 10.094 1.00 0.00 ATOM 117 C ALA 15 20.071 26.642 11.027 1.00 0.00 ATOM 118 N VAL 16 20.543 26.265 12.193 1.00 0.00 ATOM 119 CA VAL 16 20.993 24.894 12.407 1.00 0.00 ATOM 120 CB VAL 16 21.593 24.967 13.783 1.00 0.00 ATOM 121 CG1 VAL 16 21.843 23.613 14.399 1.00 0.00 ATOM 122 CG2 VAL 16 22.859 25.730 13.490 1.00 0.00 ATOM 123 O VAL 16 19.958 22.829 11.784 1.00 0.00 ATOM 124 C VAL 16 19.851 23.884 12.406 1.00 0.00 ATOM 125 N GLY 17 18.792 24.216 13.095 1.00 0.00 ATOM 126 CA GLY 17 17.647 23.324 13.138 1.00 0.00 ATOM 127 O GLY 17 16.812 21.941 11.356 1.00 0.00 ATOM 128 C GLY 17 17.102 23.084 11.734 1.00 0.00 ATOM 129 N ALA 18 17.016 24.152 10.932 1.00 0.00 ATOM 130 CA ALA 18 16.528 24.066 9.559 1.00 0.00 ATOM 131 CB ALA 18 16.273 25.452 8.964 1.00 0.00 ATOM 132 O ALA 18 17.030 22.406 7.894 1.00 0.00 ATOM 133 C ALA 18 17.473 23.227 8.698 1.00 0.00 ATOM 134 N LEU 19 18.763 23.441 8.871 1.00 0.00 ATOM 135 CA LEU 19 19.743 22.677 8.106 1.00 0.00 ATOM 136 CB LEU 19 21.150 23.070 8.419 1.00 0.00 ATOM 137 CG LEU 19 22.264 22.319 7.680 1.00 0.00 ATOM 138 CD1 LEU 19 22.222 22.674 6.200 1.00 0.00 ATOM 139 CD2 LEU 19 23.621 22.691 8.275 1.00 0.00 ATOM 140 O LEU 19 19.615 20.353 7.483 1.00 0.00 ATOM 141 C LEU 19 19.607 21.188 8.396 1.00 0.00 ATOM 142 N LEU 20 19.488 20.815 9.705 1.00 0.00 ATOM 143 CA LEU 20 19.354 19.431 10.135 1.00 0.00 ATOM 144 CB LEU 20 19.384 19.233 11.591 1.00 0.00 ATOM 145 CG LEU 20 20.740 19.352 12.274 1.00 0.00 ATOM 146 CD1 LEU 20 20.628 19.442 13.777 1.00 0.00 ATOM 147 CD2 LEU 20 21.539 18.101 11.881 1.00 0.00 ATOM 148 O LEU 20 18.077 17.671 9.080 1.00 0.00 ATOM 149 C LEU 20 18.076 18.774 9.633 1.00 0.00 ATOM 150 N ASP 21 16.966 19.462 9.805 1.00 0.00 ATOM 151 CA ASP 21 15.701 18.914 9.321 1.00 0.00 ATOM 152 CB ASP 21 14.741 20.332 9.567 1.00 0.00 ATOM 153 CG ASP 21 13.305 20.212 10.055 1.00 0.00 ATOM 154 OD1 ASP 21 12.460 19.906 9.179 1.00 0.00 ATOM 155 OD2 ASP 21 12.952 20.403 11.225 1.00 0.00 ATOM 156 O ASP 21 15.384 17.632 7.318 1.00 0.00 ATOM 157 C ASP 21 15.813 18.668 7.818 1.00 0.00 ATOM 158 N GLY 22 16.352 19.639 7.104 1.00 0.00 ATOM 159 CA GLY 22 16.421 19.605 5.658 1.00 0.00 ATOM 160 O GLY 22 17.306 18.109 3.997 1.00 0.00 ATOM 161 C GLY 22 17.381 18.535 5.186 1.00 0.00 ATOM 162 N ALA 23 18.294 17.946 6.058 1.00 0.00 ATOM 163 CA ALA 23 19.205 16.861 5.685 1.00 0.00 ATOM 164 CB ALA 23 20.579 17.384 6.043 1.00 0.00 ATOM 165 O ALA 23 19.670 14.742 6.744 1.00 0.00 ATOM 166 C ALA 23 18.830 15.572 6.413 1.00 0.00 ATOM 167 N ASP 24 17.541 15.454 6.726 1.00 0.00 ATOM 168 CA ASP 24 16.933 14.212 7.228 1.00 0.00 ATOM 169 CB ASP 24 17.138 13.071 6.230 1.00 0.00 ATOM 170 CG ASP 24 16.445 13.276 4.888 1.00 0.00 ATOM 171 OD1 ASP 24 15.270 13.558 4.885 1.00 0.00 ATOM 172 OD2 ASP 24 17.124 13.304 3.890 1.00 0.00 ATOM 173 O ASP 24 17.482 12.682 8.939 1.00 0.00 ATOM 174 C ASP 24 17.397 13.847 8.626 1.00 0.00 ATOM 175 N ILE 25 17.692 14.829 9.490 1.00 0.00 ATOM 176 CA ILE 25 18.071 14.514 10.865 1.00 0.00 ATOM 177 CB ILE 25 19.494 14.993 11.205 1.00 0.00 ATOM 178 CG1 ILE 25 20.532 14.164 10.445 1.00 0.00 ATOM 179 CG2 ILE 25 19.738 14.917 12.703 1.00 0.00 ATOM 180 CD1 ILE 25 20.516 12.693 10.801 1.00 0.00 ATOM 181 O ILE 25 16.985 16.493 11.715 1.00 0.00 ATOM 182 C ILE 25 17.024 15.258 11.703 1.00 0.00 ATOM 183 N GLY 26 16.364 14.467 12.539 1.00 0.00 ATOM 184 CA GLY 26 15.466 14.976 13.586 1.00 0.00 ATOM 185 O GLY 26 17.414 15.812 14.707 1.00 0.00 ATOM 186 C GLY 26 16.192 15.891 14.555 1.00 0.00 ATOM 187 N HIS 27 15.521 16.857 15.149 1.00 0.00 ATOM 188 CA HIS 27 16.126 17.779 16.074 1.00 0.00 ATOM 189 CB HIS 27 16.847 18.971 15.438 1.00 0.00 ATOM 190 CG HIS 27 15.935 19.909 14.711 1.00 0.00 ATOM 191 CD2 HIS 27 15.496 19.914 13.431 1.00 0.00 ATOM 192 ND1 HIS 27 15.361 21.006 15.317 1.00 0.00 ATOM 193 CE1 HIS 27 14.609 21.647 14.438 1.00 0.00 ATOM 194 NE2 HIS 27 14.674 21.004 13.288 1.00 0.00 ATOM 195 O HIS 27 13.855 18.364 16.692 1.00 0.00 ATOM 196 C HIS 27 15.040 18.267 17.033 1.00 0.00 ATOM 197 N LEU 28 15.472 18.529 18.247 1.00 0.00 ATOM 198 CA LEU 28 14.640 19.123 19.302 1.00 0.00 ATOM 199 CB LEU 28 14.627 18.226 20.541 1.00 0.00 ATOM 200 CG LEU 28 13.937 18.764 21.802 1.00 0.00 ATOM 201 CD1 LEU 28 12.502 19.184 21.473 1.00 0.00 ATOM 202 CD2 LEU 28 13.941 17.698 22.884 1.00 0.00 ATOM 203 O LEU 28 16.494 20.539 19.859 1.00 0.00 ATOM 204 C LEU 28 15.269 20.422 19.802 1.00 0.00 ATOM 205 N VAL 29 14.444 21.357 20.203 1.00 0.00 ATOM 206 CA VAL 29 14.997 22.613 20.694 1.00 0.00 ATOM 207 CB VAL 29 14.784 23.713 19.659 1.00 0.00 ATOM 208 CG1 VAL 29 15.198 25.090 20.198 1.00 0.00 ATOM 209 CG2 VAL 29 15.501 23.366 18.349 1.00 0.00 ATOM 210 O VAL 29 13.101 23.159 22.042 1.00 0.00 ATOM 211 C VAL 29 14.328 23.164 21.947 1.00 0.00 ATOM 212 N LEU 30 15.128 23.686 22.831 1.00 0.00 ATOM 213 CA LEU 30 14.594 24.224 24.083 1.00 0.00 ATOM 214 CB LEU 30 15.006 23.338 25.270 1.00 0.00 ATOM 215 CG LEU 30 14.232 21.998 25.381 1.00 0.00 ATOM 216 CD1 LEU 30 14.969 21.127 26.375 1.00 0.00 ATOM 217 CD2 LEU 30 12.797 22.249 25.810 1.00 0.00 ATOM 218 O LEU 30 16.384 25.810 23.807 1.00 0.00 ATOM 219 C LEU 30 15.282 25.560 24.323 1.00 0.00 ATOM 220 N ASP 31 14.630 26.366 25.144 1.00 0.00 ATOM 221 CA ASP 31 15.231 27.610 25.639 1.00 0.00 ATOM 222 CB ASP 31 14.422 28.821 25.237 1.00 0.00 ATOM 223 CG ASP 31 12.951 28.695 25.557 1.00 0.00 ATOM 224 OD1 ASP 31 12.616 28.251 26.676 1.00 0.00 ATOM 225 OD2 ASP 31 12.128 29.052 24.689 1.00 0.00 ATOM 226 O ASP 31 15.160 26.500 27.770 1.00 0.00 ATOM 227 C ASP 31 15.733 27.328 27.057 1.00 0.00 ATOM 228 N GLN 32 16.807 27.922 27.451 1.00 0.00 ATOM 229 CA GLN 32 17.343 27.744 28.792 1.00 0.00 ATOM 230 CB GLN 32 18.873 27.802 28.798 1.00 0.00 ATOM 231 CG GLN 32 19.544 26.629 28.105 1.00 0.00 ATOM 232 CD GLN 32 19.230 25.304 28.775 1.00 0.00 ATOM 233 OE1 GLN 32 19.365 25.161 29.993 1.00 0.00 ATOM 234 NE2 GLN 32 18.809 24.326 27.981 1.00 0.00 ATOM 235 O GLN 32 16.104 29.762 29.163 1.00 0.00 ATOM 236 C GLN 32 16.787 28.874 29.655 1.00 0.00 ATOM 237 N ASN 33 17.221 28.910 30.915 1.00 0.00 ATOM 238 CA ASN 33 16.836 29.962 31.873 1.00 0.00 ATOM 239 CB ASN 33 16.653 29.436 33.280 1.00 0.00 ATOM 240 CG ASN 33 15.469 28.515 33.373 1.00 0.00 ATOM 241 ND2 ASN 33 15.595 27.477 34.179 1.00 0.00 ATOM 242 OD1 ASN 33 14.461 28.719 32.705 1.00 0.00 ATOM 243 O ASN 33 17.556 32.164 32.496 1.00 0.00 ATOM 244 C ASN 33 17.851 31.097 31.961 1.00 0.00 ATOM 245 N MET 34 19.046 30.823 31.463 1.00 0.00 ATOM 246 CA MET 34 20.163 31.782 31.438 1.00 0.00 ATOM 247 CB MET 34 21.157 31.379 32.600 1.00 0.00 ATOM 248 CG MET 34 21.967 30.198 32.260 1.00 0.00 ATOM 249 SD MET 34 22.616 29.401 33.757 1.00 0.00 ATOM 250 CE MET 34 21.169 28.395 34.131 1.00 0.00 ATOM 251 O MET 34 20.855 31.191 29.344 1.00 0.00 ATOM 252 C MET 34 20.410 32.110 29.983 1.00 0.00 ATOM 253 N SER 35 20.458 33.372 29.606 1.00 0.00 ATOM 254 CA SER 35 20.648 33.774 28.199 1.00 0.00 ATOM 255 CB SER 35 20.671 35.323 28.068 1.00 0.00 ATOM 256 OG SER 35 21.644 35.887 28.921 1.00 0.00 ATOM 257 O SER 35 22.958 33.085 28.137 1.00 0.00 ATOM 258 C SER 35 21.948 33.396 27.502 1.00 0.00 ATOM 259 N ILE 36 21.942 33.464 26.100 1.00 0.00 ATOM 260 CA ILE 36 23.086 33.170 25.251 1.00 0.00 ATOM 261 CB ILE 36 23.020 34.126 23.881 1.00 0.00 ATOM 262 CG1 ILE 36 21.606 34.541 23.566 1.00 0.00 ATOM 263 CG2 ILE 36 23.779 33.595 22.659 1.00 0.00 ATOM 264 CD1 ILE 36 20.766 33.493 22.990 1.00 0.00 ATOM 265 O ILE 36 25.443 33.467 25.877 1.00 0.00 ATOM 266 C ILE 36 24.284 33.982 25.767 1.00 0.00 ATOM 267 N LEU 37 23.968 35.223 26.051 1.00 0.00 ATOM 268 CA LEU 37 24.980 36.142 26.598 1.00 0.00 ATOM 269 CB LEU 37 25.033 37.427 25.741 1.00 0.00 ATOM 270 CG LEU 37 25.160 37.252 24.225 1.00 0.00 ATOM 271 CD1 LEU 37 25.214 38.620 23.565 1.00 0.00 ATOM 272 CD2 LEU 37 26.404 36.443 23.886 1.00 0.00 ATOM 273 O LEU 37 23.960 37.281 28.442 1.00 0.00 ATOM 274 C LEU 37 24.748 36.417 28.075 1.00 0.00 ATOM 275 N GLU 38 25.581 35.795 28.893 1.00 0.00 ATOM 276 CA GLU 38 25.498 35.952 30.356 1.00 0.00 ATOM 277 CB GLU 38 26.419 34.950 31.055 1.00 0.00 ATOM 278 CG GLU 38 25.958 33.502 30.963 1.00 0.00 ATOM 279 CD GLU 38 26.959 32.570 31.587 1.00 0.00 ATOM 280 OE1 GLU 38 27.992 33.033 32.010 1.00 0.00 ATOM 281 OE2 GLU 38 26.646 31.414 31.744 1.00 0.00 ATOM 282 O GLU 38 25.218 37.956 31.669 1.00 0.00 ATOM 283 C GLU 38 25.811 37.401 30.732 1.00 0.00 ATOM 284 N GLY 39 26.767 38.064 29.971 1.00 0.00 ATOM 285 CA GLY 39 27.121 39.450 30.244 1.00 0.00 ATOM 286 O GLY 39 26.057 41.588 30.047 1.00 0.00 ATOM 287 C GLY 39 26.008 40.372 29.792 1.00 0.00 ATOM 288 N SER 40 24.934 39.832 29.177 1.00 0.00 ATOM 289 CA SER 40 23.803 40.689 28.851 1.00 0.00 ATOM 290 CB SER 40 23.732 40.907 27.353 1.00 0.00 ATOM 291 OG SER 40 23.557 39.683 26.657 1.00 0.00 ATOM 292 O SER 40 22.453 38.826 29.651 1.00 0.00 ATOM 293 C SER 40 22.528 40.010 29.365 1.00 0.00 ATOM 294 N LEU 41 21.507 40.830 29.466 1.00 0.00 ATOM 295 CA LEU 41 20.180 40.356 29.889 1.00 0.00 ATOM 296 CB LEU 41 19.536 41.386 30.750 1.00 0.00 ATOM 297 CG LEU 41 20.292 41.681 32.049 1.00 0.00 ATOM 298 CD1 LEU 41 19.446 42.598 32.878 1.00 0.00 ATOM 299 CD2 LEU 41 20.656 40.416 32.860 1.00 0.00 ATOM 300 O LEU 41 18.128 39.551 28.950 1.00 0.00 ATOM 301 C LEU 41 19.260 39.956 28.727 1.00 0.00 ATOM 302 N GLY 42 19.793 40.064 27.399 1.00 0.00 ATOM 303 CA GLY 42 18.978 39.696 26.216 1.00 0.00 ATOM 304 O GLY 42 17.154 38.530 27.247 1.00 0.00 ATOM 305 C GLY 42 18.011 38.531 26.362 1.00 0.00 ATOM 306 N VAL 43 18.098 37.547 25.532 1.00 0.00 ATOM 307 CA VAL 43 17.227 36.364 25.518 1.00 0.00 ATOM 308 CB VAL 43 16.697 36.012 24.100 1.00 0.00 ATOM 309 CG1 VAL 43 15.848 37.157 23.560 1.00 0.00 ATOM 310 CG2 VAL 43 17.852 35.689 23.152 1.00 0.00 ATOM 311 O VAL 43 19.101 34.811 25.821 1.00 0.00 ATOM 312 C VAL 43 17.891 35.074 26.023 1.00 0.00 ATOM 313 N ILE 44 16.959 34.211 26.607 1.00 0.00 ATOM 314 CA ILE 44 17.411 32.922 27.118 1.00 0.00 ATOM 315 CB ILE 44 16.303 32.188 27.849 1.00 0.00 ATOM 316 CG1 ILE 44 15.154 31.733 26.955 1.00 0.00 ATOM 317 CG2 ILE 44 15.777 33.060 29.056 1.00 0.00 ATOM 318 CD1 ILE 44 14.048 31.012 27.779 1.00 0.00 ATOM 319 O ILE 44 17.427 32.406 24.809 1.00 0.00 ATOM 320 C ILE 44 17.898 32.146 25.896 1.00 0.00 ATOM 321 N PRO 45 19.048 31.512 26.043 1.00 0.00 ATOM 322 CA PRO 45 19.738 30.875 24.946 1.00 0.00 ATOM 323 CB PRO 45 21.082 30.477 25.532 1.00 0.00 ATOM 324 CG PRO 45 20.670 29.996 26.916 1.00 0.00 ATOM 325 CD PRO 45 19.399 30.797 27.256 1.00 0.00 ATOM 326 O PRO 45 18.071 29.128 25.204 1.00 0.00 ATOM 327 C PRO 45 18.995 29.609 24.554 1.00 0.00 ATOM 328 N ARG 46 19.445 29.161 23.417 1.00 0.00 ATOM 329 CA ARG 46 18.809 28.020 22.791 1.00 0.00 ATOM 330 CB ARG 46 18.529 28.562 21.410 1.00 0.00 ATOM 331 CG ARG 46 17.079 28.939 21.162 1.00 0.00 ATOM 332 CD ARG 46 16.959 30.317 21.765 1.00 0.00 ATOM 333 NE ARG 46 15.704 30.948 21.352 1.00 0.00 ATOM 334 CZ ARG 46 15.259 32.073 21.863 1.00 0.00 ATOM 335 NH1 ARG 46 14.112 32.589 21.472 1.00 0.00 ATOM 336 NH2 ARG 46 15.963 32.737 22.734 1.00 0.00 ATOM 337 O ARG 46 20.948 26.910 22.664 1.00 0.00 ATOM 338 C ARG 46 19.723 26.802 22.782 1.00 0.00 ATOM 339 N ARG 47 19.094 25.672 23.057 1.00 0.00 ATOM 340 CA ARG 47 19.745 24.363 23.026 1.00 0.00 ATOM 341 CB ARG 47 19.765 23.700 24.396 1.00 0.00 ATOM 342 CG ARG 47 20.662 22.477 24.501 1.00 0.00 ATOM 343 CD ARG 47 20.711 21.869 25.856 1.00 0.00 ATOM 344 NE ARG 47 19.480 21.212 26.266 1.00 0.00 ATOM 345 CZ ARG 47 19.266 20.681 27.487 1.00 0.00 ATOM 346 NH1 ARG 47 20.207 20.694 28.404 1.00 0.00 ATOM 347 NH2 ARG 47 18.092 20.126 27.728 1.00 0.00 ATOM 348 O ARG 47 17.851 23.422 21.893 1.00 0.00 ATOM 349 C ARG 47 19.070 23.509 21.948 1.00 0.00 ATOM 350 N VAL 48 19.926 22.812 21.200 1.00 0.00 ATOM 351 CA VAL 48 19.491 21.858 20.167 1.00 0.00 ATOM 352 CB VAL 48 20.031 22.235 18.786 1.00 0.00 ATOM 353 CG1 VAL 48 19.624 21.201 17.720 1.00 0.00 ATOM 354 CG2 VAL 48 19.560 23.579 18.377 1.00 0.00 ATOM 355 O VAL 48 21.152 20.231 20.714 1.00 0.00 ATOM 356 C VAL 48 19.960 20.436 20.482 1.00 0.00 ATOM 357 N LEU 49 19.022 19.500 20.419 1.00 0.00 ATOM 358 CA LEU 49 19.318 18.094 20.662 1.00 0.00 ATOM 359 CB LEU 49 18.291 17.584 21.674 1.00 0.00 ATOM 360 CG LEU 49 18.438 18.051 23.104 1.00 0.00 ATOM 361 CD1 LEU 49 18.286 19.551 23.321 1.00 0.00 ATOM 362 CD2 LEU 49 17.250 17.428 23.793 1.00 0.00 ATOM 363 O LEU 49 18.128 17.758 18.618 1.00 0.00 ATOM 364 C LEU 49 18.954 17.307 19.406 1.00 0.00 ATOM 365 N VAL 50 19.425 16.070 19.415 1.00 0.00 ATOM 366 CA VAL 50 19.067 15.081 18.400 1.00 0.00 ATOM 367 CB VAL 50 20.186 14.828 17.382 1.00 0.00 ATOM 368 CG1 VAL 50 20.284 16.052 16.474 1.00 0.00 ATOM 369 CG2 VAL 50 21.499 14.404 18.040 1.00 0.00 ATOM 370 O VAL 50 18.858 13.611 20.274 1.00 0.00 ATOM 371 C VAL 50 18.733 13.762 19.068 1.00 0.00 ATOM 372 N HIS 51 18.240 12.824 18.289 1.00 0.00 ATOM 373 CA HIS 51 18.066 11.469 18.767 1.00 0.00 ATOM 374 CB HIS 51 17.311 10.623 17.764 1.00 0.00 ATOM 375 CG HIS 51 15.898 11.049 17.619 1.00 0.00 ATOM 376 CD2 HIS 51 15.312 11.903 16.739 1.00 0.00 ATOM 377 ND1 HIS 51 14.900 10.615 18.471 1.00 0.00 ATOM 378 CE1 HIS 51 13.756 11.189 18.115 1.00 0.00 ATOM 379 NE2 HIS 51 13.986 11.990 17.086 1.00 0.00 ATOM 380 O HIS 51 20.329 11.380 17.974 1.00 0.00 ATOM 381 C HIS 51 19.491 10.911 18.742 1.00 0.00 ATOM 382 N GLU 52 19.791 10.039 19.695 1.00 0.00 ATOM 383 CA GLU 52 21.171 9.522 19.846 1.00 0.00 ATOM 384 CB GLU 52 21.236 8.490 20.975 1.00 0.00 ATOM 385 CG GLU 52 22.631 7.952 21.255 1.00 0.00 ATOM 386 CD GLU 52 22.625 6.994 22.413 1.00 0.00 ATOM 387 OE1 GLU 52 21.579 6.782 22.978 1.00 0.00 ATOM 388 OE2 GLU 52 23.641 6.388 22.664 1.00 0.00 ATOM 389 O GLU 52 22.879 9.085 18.216 1.00 0.00 ATOM 390 C GLU 52 21.719 8.892 18.559 1.00 0.00 ATOM 391 N ASP 53 20.868 8.174 17.861 1.00 0.00 ATOM 392 CA ASP 53 21.237 7.518 16.604 1.00 0.00 ATOM 393 CB ASP 53 20.083 6.658 16.085 1.00 0.00 ATOM 394 CG ASP 53 19.855 5.372 16.869 1.00 0.00 ATOM 395 OD1 ASP 53 20.703 5.022 17.656 1.00 0.00 ATOM 396 OD2 ASP 53 18.774 4.837 16.793 1.00 0.00 ATOM 397 O ASP 53 22.493 8.159 14.661 1.00 0.00 ATOM 398 C ASP 53 21.635 8.474 15.492 1.00 0.00 ATOM 399 N ASP 54 21.169 9.704 15.640 1.00 0.00 ATOM 400 CA ASP 54 21.400 10.794 14.668 1.00 0.00 ATOM 401 CB ASP 54 20.140 11.654 14.562 1.00 0.00 ATOM 402 CG ASP 54 18.941 10.900 13.979 1.00 0.00 ATOM 403 OD1 ASP 54 19.172 10.151 13.014 1.00 0.00 ATOM 404 OD2 ASP 54 17.826 11.075 14.538 1.00 0.00 ATOM 405 O ASP 54 22.772 12.759 14.452 1.00 0.00 ATOM 406 C ASP 54 22.532 11.734 15.088 1.00 0.00 ATOM 407 N LEU 55 23.235 11.402 16.175 1.00 0.00 ATOM 408 CA LEU 55 24.250 12.311 16.743 1.00 0.00 ATOM 409 CB LEU 55 24.789 11.720 18.052 1.00 0.00 ATOM 410 CG LEU 55 25.846 12.561 18.741 1.00 0.00 ATOM 411 CD1 LEU 55 25.350 13.954 19.090 1.00 0.00 ATOM 412 CD2 LEU 55 26.188 11.829 20.018 1.00 0.00 ATOM 413 O LEU 55 25.812 13.692 15.587 1.00 0.00 ATOM 414 C LEU 55 25.406 12.535 15.791 1.00 0.00 ATOM 415 N ALA 56 25.964 11.499 15.188 1.00 0.00 ATOM 416 CA ALA 56 27.086 11.671 14.259 1.00 0.00 ATOM 417 CB ALA 56 27.535 10.266 13.809 1.00 0.00 ATOM 418 O ALA 56 27.348 13.397 12.621 1.00 0.00 ATOM 419 C ALA 56 26.657 12.466 13.037 1.00 0.00 ATOM 420 N GLY 57 25.514 12.110 12.392 1.00 0.00 ATOM 421 CA GLY 57 25.049 12.848 11.221 1.00 0.00 ATOM 422 O GLY 57 25.171 15.222 10.824 1.00 0.00 ATOM 423 C GLY 57 24.793 14.321 11.590 1.00 0.00 ATOM 424 N ALA 58 24.256 14.565 12.788 1.00 0.00 ATOM 425 CA ALA 58 23.967 15.959 13.176 1.00 0.00 ATOM 426 CB ALA 58 23.175 15.896 14.480 1.00 0.00 ATOM 427 O ALA 58 25.278 17.949 12.896 1.00 0.00 ATOM 428 C ALA 58 25.211 16.818 13.381 1.00 0.00 ATOM 429 N ARG 59 26.173 16.299 14.121 1.00 0.00 ATOM 430 CA ARG 59 27.406 17.021 14.389 1.00 0.00 ATOM 431 CB ARG 59 28.302 16.220 15.323 1.00 0.00 ATOM 432 CG ARG 59 27.772 16.116 16.739 1.00 0.00 ATOM 433 CD ARG 59 28.719 15.316 17.615 1.00 0.00 ATOM 434 NE ARG 59 28.283 15.295 19.007 1.00 0.00 ATOM 435 CZ ARG 59 28.949 14.691 19.986 1.00 0.00 ATOM 436 NH1 ARG 59 30.085 14.056 19.727 1.00 0.00 ATOM 437 NH2 ARG 59 28.480 14.725 21.227 1.00 0.00 ATOM 438 O ARG 59 28.698 18.374 12.890 1.00 0.00 ATOM 439 C ARG 59 28.157 17.297 13.090 1.00 0.00 ATOM 440 N ARG 60 28.168 16.311 12.187 1.00 0.00 ATOM 441 CA ARG 60 28.827 16.506 10.879 1.00 0.00 ATOM 442 CB ARG 60 28.979 15.177 10.134 1.00 0.00 ATOM 443 CG ARG 60 29.827 14.076 10.813 1.00 0.00 ATOM 444 CD ARG 60 31.164 14.588 11.387 1.00 0.00 ATOM 445 NE ARG 60 31.858 13.590 12.215 1.00 0.00 ATOM 446 CZ ARG 60 31.431 13.139 13.399 1.00 0.00 ATOM 447 NH1 ARG 60 30.297 13.560 13.921 1.00 0.00 ATOM 448 NH2 ARG 60 32.152 12.241 14.067 1.00 0.00 ATOM 449 O ARG 60 28.687 18.397 9.411 1.00 0.00 ATOM 450 C ARG 60 28.074 17.561 10.068 1.00 0.00 ATOM 451 N LEU 61 26.755 17.536 10.142 1.00 0.00 ATOM 452 CA LEU 61 25.973 18.514 9.398 1.00 0.00 ATOM 453 CB LEU 61 24.481 18.186 9.538 1.00 0.00 ATOM 454 CG LEU 61 23.976 17.046 8.643 1.00 0.00 ATOM 455 CD1 LEU 61 22.541 16.693 9.006 1.00 0.00 ATOM 456 CD2 LEU 61 24.077 17.464 7.183 1.00 0.00 ATOM 457 O LEU 61 26.520 20.834 9.104 1.00 0.00 ATOM 458 C LEU 61 26.243 19.949 9.902 1.00 0.00 ATOM 459 N LEU 62 26.282 20.099 11.218 1.00 0.00 ATOM 460 CA LEU 62 26.589 21.399 11.860 1.00 0.00 ATOM 461 CB LEU 62 26.423 21.295 13.378 1.00 0.00 ATOM 462 CG LEU 62 25.020 20.819 13.777 1.00 0.00 ATOM 463 CD1 LEU 62 24.833 20.807 15.298 1.00 0.00 ATOM 464 CD2 LEU 62 23.948 21.596 13.016 1.00 0.00 ATOM 465 O LEU 62 28.263 22.983 11.196 1.00 0.00 ATOM 466 C LEU 62 28.016 21.830 11.563 1.00 0.00 ATOM 467 N THR 63 28.978 20.921 11.744 1.00 0.00 ATOM 468 CA THR 63 30.378 21.221 11.493 1.00 0.00 ATOM 469 CB THR 63 31.232 19.976 11.795 1.00 0.00 ATOM 470 CG2 THR 63 32.694 20.242 11.467 1.00 0.00 ATOM 471 OG1 THR 63 31.110 19.634 13.181 1.00 0.00 ATOM 472 O THR 63 31.276 22.580 9.730 1.00 0.00 ATOM 473 C THR 63 30.567 21.617 10.035 1.00 0.00 ATOM 474 N ASP 64 29.876 20.894 9.115 1.00 0.00 ATOM 475 CA ASP 64 29.980 21.179 7.693 1.00 0.00 ATOM 476 CB ASP 64 29.158 20.136 6.928 1.00 0.00 ATOM 477 CG ASP 64 29.791 18.753 6.875 1.00 0.00 ATOM 478 OD1 ASP 64 30.945 18.635 7.215 1.00 0.00 ATOM 479 OD2 ASP 64 29.078 17.804 6.649 1.00 0.00 ATOM 480 O ASP 64 29.992 23.088 6.275 1.00 0.00 ATOM 481 C ASP 64 29.515 22.548 7.280 1.00 0.00 ATOM 482 N ALA 65 28.600 23.133 8.039 1.00 0.00 ATOM 483 CA ALA 65 28.032 24.437 7.782 1.00 0.00 ATOM 484 CB ALA 65 26.525 24.392 7.932 1.00 0.00 ATOM 485 O ALA 65 28.242 26.717 8.396 1.00 0.00 ATOM 486 C ALA 65 28.614 25.572 8.615 1.00 0.00 ATOM 487 N GLY 66 29.523 25.225 9.524 1.00 0.00 ATOM 488 CA GLY 66 30.200 26.227 10.376 1.00 0.00 ATOM 489 O GLY 66 29.570 27.743 12.117 1.00 0.00 ATOM 490 C GLY 66 29.410 26.618 11.611 1.00 0.00 ATOM 491 N LEU 67 28.570 25.738 12.093 1.00 0.00 ATOM 492 CA LEU 67 27.774 26.075 13.267 1.00 0.00 ATOM 493 CB LEU 67 26.827 24.929 13.584 1.00 0.00 ATOM 494 CG LEU 67 26.109 25.162 14.914 1.00 0.00 ATOM 495 CD1 LEU 67 25.425 26.521 15.050 1.00 0.00 ATOM 496 CD2 LEU 67 25.108 24.054 15.075 1.00 0.00 ATOM 497 O LEU 67 28.195 27.151 15.366 1.00 0.00 ATOM 498 C LEU 67 28.598 26.351 14.523 1.00 0.00 ATOM 499 N ALA 68 29.649 25.594 14.719 1.00 0.00 ATOM 500 CA ALA 68 30.498 25.788 15.889 1.00 0.00 ATOM 501 CB ALA 68 31.640 24.801 15.800 1.00 0.00 ATOM 502 O ALA 68 31.097 27.905 16.862 1.00 0.00 ATOM 503 C ALA 68 31.110 27.196 15.861 1.00 0.00 ATOM 504 N HIS 69 31.562 27.604 14.664 1.00 0.00 ATOM 505 CA HIS 69 32.073 28.970 14.476 1.00 0.00 ATOM 506 CB HIS 69 32.577 29.239 13.098 1.00 0.00 ATOM 507 CG HIS 69 32.922 30.677 12.882 1.00 0.00 ATOM 508 CD2 HIS 69 34.011 31.395 13.244 1.00 0.00 ATOM 509 ND1 HIS 69 32.028 31.580 12.350 1.00 0.00 ATOM 510 CE1 HIS 69 32.552 32.793 12.396 1.00 0.00 ATOM 511 NE2 HIS 69 33.754 32.708 12.936 1.00 0.00 ATOM 512 O HIS 69 31.207 30.970 15.487 1.00 0.00 ATOM 513 C HIS 69 30.978 29.995 14.767 1.00 0.00 ATOM 514 N GLU 70 29.777 29.759 14.212 1.00 0.00 ATOM 515 CA GLU 70 28.672 30.688 14.443 1.00 0.00 ATOM 516 CB GLU 70 27.502 30.279 13.544 1.00 0.00 ATOM 517 CG GLU 70 27.804 30.345 12.053 1.00 0.00 ATOM 518 CD GLU 70 28.212 31.731 11.638 1.00 0.00 ATOM 519 OE1 GLU 70 27.494 32.655 11.940 1.00 0.00 ATOM 520 OE2 GLU 70 29.292 31.881 11.120 1.00 0.00 ATOM 521 O GLU 70 27.988 31.757 16.479 1.00 0.00 ATOM 522 C GLU 70 28.297 30.705 15.924 1.00 0.00 ATOM 523 N LEU 71 28.332 29.530 16.580 1.00 0.00 ATOM 524 CA LEU 71 28.003 29.448 17.998 1.00 0.00 ATOM 525 CB LEU 71 28.037 27.983 18.449 1.00 0.00 ATOM 526 CG LEU 71 27.932 27.765 19.965 1.00 0.00 ATOM 527 CD1 LEU 71 26.697 28.468 20.510 1.00 0.00 ATOM 528 CD2 LEU 71 27.877 26.273 20.262 1.00 0.00 ATOM 529 O LEU 71 28.576 30.943 19.778 1.00 0.00 ATOM 530 C LEU 71 28.989 30.247 18.844 1.00 0.00 ATOM 531 N ARG 72 30.272 30.133 18.529 1.00 0.00 ATOM 532 CA ARG 72 31.298 30.892 19.257 1.00 0.00 ATOM 533 CB ARG 72 32.718 30.416 18.803 1.00 0.00 ATOM 534 CG ARG 72 33.125 29.020 19.279 1.00 0.00 ATOM 535 CD ARG 72 34.619 28.780 19.071 1.00 0.00 ATOM 536 NE ARG 72 35.013 28.870 17.664 1.00 0.00 ATOM 537 CZ ARG 72 34.912 27.878 16.781 1.00 0.00 ATOM 538 NH1 ARG 72 34.430 26.695 17.145 1.00 0.00 ATOM 539 NH2 ARG 72 35.294 28.075 15.523 1.00 0.00 ATOM 540 O ARG 72 31.264 33.172 20.021 1.00 0.00 ATOM 541 C ARG 72 31.080 32.396 19.092 1.00 0.00 ATOM 542 N SER 73 30.698 32.796 17.832 1.00 0.00 ATOM 543 CA SER 73 30.491 34.196 17.534 1.00 0.00 ATOM 544 CB SER 73 30.854 34.515 16.096 1.00 0.00 ATOM 545 OG SER 73 30.072 33.795 15.184 1.00 0.00 ATOM 546 O SER 73 28.238 33.614 18.119 1.00 0.00 ATOM 547 C SER 73 29.005 34.500 17.763 1.00 0.00 ATOM 548 N ASP 74 28.706 35.793 17.860 1.00 0.00 ATOM 549 CA ASP 74 27.322 36.260 18.077 1.00 0.00 ATOM 550 CB ASP 74 27.257 37.784 17.976 1.00 0.00 ATOM 551 CG ASP 74 27.908 38.484 19.155 1.00 0.00 ATOM 552 OD1 ASP 74 27.541 38.171 20.308 1.00 0.00 ATOM 553 OD2 ASP 74 28.779 39.349 18.929 1.00 0.00 ATOM 554 O ASP 74 25.324 35.296 17.229 1.00 0.00 ATOM 555 C ASP 74 26.419 35.752 16.964 1.00 0.00 ATOM 556 N ASP 75 26.902 35.777 15.718 1.00 0.00 ATOM 557 CA ASP 75 26.107 35.312 14.600 1.00 0.00 ATOM 558 CB ASP 75 26.820 35.637 13.288 1.00 0.00 ATOM 559 CG ASP 75 26.618 37.078 12.855 1.00 0.00 ATOM 560 OD1 ASP 75 25.804 37.793 13.490 1.00 0.00 ATOM 561 OD2 ASP 75 27.278 37.495 11.874 1.00 0.00 ATOM 562 O ASP 75 24.809 33.299 14.469 1.00 0.00 ATOM 563 C ASP 75 25.903 33.806 14.709 1.00 0.00 TER END