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 5 Sun Jul 16 10:33:47 2006 MODEL 5 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 16.565 14.217 22.721 1.00 0.00 ATOM 2 CA MET 1 17.284 13.157 23.484 1.00 0.00 ATOM 3 CB MET 1 17.574 11.952 22.585 1.00 0.00 ATOM 4 CG MET 1 16.342 11.148 22.210 1.00 0.00 ATOM 5 SD MET 1 15.532 10.405 23.640 1.00 0.00 ATOM 6 CE MET 1 16.752 9.187 24.125 1.00 0.00 ATOM 7 O MET 1 18.875 13.437 25.241 1.00 0.00 ATOM 8 C MET 1 18.624 13.619 24.052 1.00 0.00 ATOM 9 N ARG 2 19.488 14.185 23.201 1.00 0.00 ATOM 10 CA ARG 2 20.753 14.748 23.635 1.00 0.00 ATOM 11 CB ARG 2 21.917 13.881 23.152 1.00 0.00 ATOM 12 CG ARG 2 21.896 12.458 23.688 1.00 0.00 ATOM 13 CD ARG 2 22.192 12.425 25.179 1.00 0.00 ATOM 14 NE ARG 2 22.267 11.059 25.690 1.00 0.00 ATOM 15 CZ ARG 2 21.226 10.375 26.150 1.00 0.00 ATOM 16 NH1 ARG 2 21.389 9.137 26.596 1.00 0.00 ATOM 17 NH2 ARG 2 20.021 10.930 26.162 1.00 0.00 ATOM 18 O ARG 2 20.545 16.361 21.900 1.00 0.00 ATOM 19 C ARG 2 21.051 16.098 22.976 1.00 0.00 ATOM 20 N GLU 3 22.003 16.858 23.551 1.00 0.00 ATOM 21 CA GLU 3 22.307 18.169 23.013 1.00 0.00 ATOM 22 CB GLU 3 22.743 19.015 24.211 1.00 0.00 ATOM 23 CG GLU 3 21.660 19.210 25.260 1.00 0.00 ATOM 24 CD GLU 3 22.104 20.113 26.394 1.00 0.00 ATOM 25 OE1 GLU 3 23.279 20.539 26.390 1.00 0.00 ATOM 26 OE2 GLU 3 21.278 20.396 27.287 1.00 0.00 ATOM 27 O GLU 3 24.396 17.499 22.056 1.00 0.00 ATOM 28 C GLU 3 23.400 18.238 21.973 1.00 0.00 ATOM 29 N LEU 4 23.208 19.128 21.006 1.00 0.00 ATOM 30 CA LEU 4 24.284 19.491 20.061 1.00 0.00 ATOM 31 CB LEU 4 23.708 19.761 18.669 1.00 0.00 ATOM 32 CG LEU 4 23.029 18.579 17.975 1.00 0.00 ATOM 33 CD1 LEU 4 22.390 19.017 16.666 1.00 0.00 ATOM 34 CD2 LEU 4 24.040 17.484 17.666 1.00 0.00 ATOM 35 O LEU 4 26.191 20.730 20.838 1.00 0.00 ATOM 36 C LEU 4 25.008 20.760 20.504 1.00 0.00 ATOM 37 N LEU 5 24.260 21.849 20.620 1.00 0.00 ATOM 38 CA LEU 5 24.803 23.157 20.941 1.00 0.00 ATOM 39 CB LEU 5 25.099 23.974 19.682 1.00 0.00 ATOM 40 CG LEU 5 26.205 23.439 18.772 1.00 0.00 ATOM 41 CD1 LEU 5 26.249 24.218 17.465 1.00 0.00 ATOM 42 CD2 LEU 5 27.563 23.563 19.446 1.00 0.00 ATOM 43 O LEU 5 22.586 23.789 21.678 1.00 0.00 ATOM 44 C LEU 5 23.806 23.941 21.757 1.00 0.00 ATOM 45 N ARG 6 24.374 24.844 22.624 1.00 0.00 ATOM 46 CA ARG 6 23.645 25.728 23.510 1.00 0.00 ATOM 47 CB ARG 6 23.748 25.484 25.018 1.00 0.00 ATOM 48 CG ARG 6 22.991 24.258 25.501 1.00 0.00 ATOM 49 CD ARG 6 23.218 24.020 26.985 1.00 0.00 ATOM 50 NE ARG 6 24.625 23.766 27.288 1.00 0.00 ATOM 51 CZ ARG 6 25.122 23.699 28.519 1.00 0.00 ATOM 52 NH1 ARG 6 26.414 23.465 28.701 1.00 0.00 ATOM 53 NH2 ARG 6 24.326 23.866 29.567 1.00 0.00 ATOM 54 O ARG 6 25.511 27.201 23.019 1.00 0.00 ATOM 55 C ARG 6 24.319 27.096 23.369 1.00 0.00 ATOM 56 N THR 7 23.545 28.153 23.610 1.00 0.00 ATOM 57 CA THR 7 24.073 29.507 23.620 1.00 0.00 ATOM 58 CB THR 7 25.134 29.711 24.796 1.00 0.00 ATOM 59 CG2 THR 7 25.731 31.109 24.795 1.00 0.00 ATOM 60 OG1 THR 7 24.486 29.498 26.064 1.00 0.00 ATOM 61 O THR 7 24.663 31.054 21.894 1.00 0.00 ATOM 62 C THR 7 23.946 30.108 22.237 1.00 0.00 ATOM 63 N ASN 8 23.037 29.581 21.414 1.00 0.00 ATOM 64 CA ASN 8 22.914 30.047 20.033 1.00 0.00 ATOM 65 CB ASN 8 22.367 28.942 19.126 1.00 0.00 ATOM 66 CG ASN 8 23.372 27.834 18.885 1.00 0.00 ATOM 67 ND2 ASN 8 22.877 26.653 18.530 1.00 0.00 ATOM 68 OD1 ASN 8 24.579 28.038 19.016 1.00 0.00 ATOM 69 O ASN 8 20.988 31.322 20.718 1.00 0.00 ATOM 70 C ASN 8 21.954 31.241 19.957 1.00 0.00 ATOM 71 N ASP 9 22.208 32.153 19.019 1.00 0.00 ATOM 72 CA ASP 9 21.213 33.166 18.667 1.00 0.00 ATOM 73 CB ASP 9 21.830 34.233 17.760 1.00 0.00 ATOM 74 CG ASP 9 22.783 35.148 18.502 1.00 0.00 ATOM 75 OD1 ASP 9 22.807 35.096 19.750 1.00 0.00 ATOM 76 OD2 ASP 9 23.508 35.918 17.836 1.00 0.00 ATOM 77 O ASP 9 20.201 31.435 17.344 1.00 0.00 ATOM 78 C ASP 9 20.063 32.515 17.922 1.00 0.00 ATOM 79 N ALA 10 18.917 33.183 17.926 1.00 0.00 ATOM 80 CA ALA 10 17.757 32.642 17.249 1.00 0.00 ATOM 81 CB ALA 10 16.575 33.589 17.383 1.00 0.00 ATOM 82 O ALA 10 17.677 31.397 15.201 1.00 0.00 ATOM 83 C ALA 10 18.038 32.431 15.758 1.00 0.00 ATOM 84 N VAL 11 18.707 33.387 15.114 1.00 0.00 ATOM 85 CA VAL 11 18.983 33.306 13.676 1.00 0.00 ATOM 86 CB VAL 11 19.763 34.550 13.205 1.00 0.00 ATOM 87 CG1 VAL 11 20.294 34.396 11.732 1.00 0.00 ATOM 88 CG2 VAL 11 18.829 35.775 13.244 1.00 0.00 ATOM 89 O VAL 11 19.530 31.302 12.463 1.00 0.00 ATOM 90 C VAL 11 19.864 32.096 13.344 1.00 0.00 ATOM 91 N LEU 12 20.960 31.930 14.079 1.00 0.00 ATOM 92 CA LEU 12 21.873 30.828 13.799 1.00 0.00 ATOM 93 CB LEU 12 23.152 30.972 14.626 1.00 0.00 ATOM 94 CG LEU 12 24.069 32.140 14.259 1.00 0.00 ATOM 95 CD1 LEU 12 25.202 32.273 15.266 1.00 0.00 ATOM 96 CD2 LEU 12 24.680 31.931 12.882 1.00 0.00 ATOM 97 O LEU 12 21.434 28.515 13.366 1.00 0.00 ATOM 98 C LEU 12 21.237 29.477 14.114 1.00 0.00 ATOM 99 N LEU 13 20.566 29.357 15.273 1.00 0.00 ATOM 100 CA LEU 13 19.909 28.101 15.621 1.00 0.00 ATOM 101 CB LEU 13 19.296 28.158 17.025 1.00 0.00 ATOM 102 CG LEU 13 18.529 26.916 17.482 1.00 0.00 ATOM 103 CD1 LEU 13 19.432 25.682 17.576 1.00 0.00 ATOM 104 CD2 LEU 13 17.853 27.175 18.827 1.00 0.00 ATOM 105 O LEU 13 18.772 26.603 14.176 1.00 0.00 ATOM 106 C LEU 13 18.931 27.763 14.510 1.00 0.00 ATOM 107 N SER 14 18.241 28.766 13.954 1.00 0.00 ATOM 108 CA SER 14 17.329 28.504 12.847 1.00 0.00 ATOM 109 CB SER 14 16.590 29.781 12.447 1.00 0.00 ATOM 110 OG SER 14 15.715 30.209 13.476 1.00 0.00 ATOM 111 O SER 14 17.595 27.034 10.989 1.00 0.00 ATOM 112 C SER 14 18.046 27.986 11.611 1.00 0.00 ATOM 113 N ALA 15 19.181 28.588 11.285 1.00 0.00 ATOM 114 CA ALA 15 19.963 28.145 10.140 1.00 0.00 ATOM 115 CB ALA 15 21.193 29.023 9.966 1.00 0.00 ATOM 116 O ALA 15 20.296 25.870 9.419 1.00 0.00 ATOM 117 C ALA 15 20.420 26.690 10.324 1.00 0.00 ATOM 118 N VAL 16 20.898 26.375 11.512 1.00 0.00 ATOM 119 CA VAL 16 21.375 25.024 11.826 1.00 0.00 ATOM 120 CB VAL 16 22.181 25.012 13.150 1.00 0.00 ATOM 121 CG1 VAL 16 22.624 23.592 13.480 1.00 0.00 ATOM 122 CG2 VAL 16 23.392 25.926 13.030 1.00 0.00 ATOM 123 O VAL 16 20.344 22.886 11.324 1.00 0.00 ATOM 124 C VAL 16 20.221 24.012 11.836 1.00 0.00 ATOM 125 N GLY 17 19.052 24.406 12.413 1.00 0.00 ATOM 126 CA GLY 17 17.911 23.515 12.451 1.00 0.00 ATOM 127 O GLY 17 17.158 22.032 10.741 1.00 0.00 ATOM 128 C GLY 17 17.394 23.193 11.067 1.00 0.00 ATOM 129 N ALA 18 17.263 24.227 10.237 1.00 0.00 ATOM 130 CA ALA 18 16.778 24.073 8.870 1.00 0.00 ATOM 131 CB ALA 18 16.608 25.411 8.166 1.00 0.00 ATOM 132 O ALA 18 17.338 22.398 7.263 1.00 0.00 ATOM 133 C ALA 18 17.757 23.236 8.047 1.00 0.00 ATOM 134 N LEU 19 19.057 23.445 8.236 1.00 0.00 ATOM 135 CA LEU 19 20.065 22.652 7.553 1.00 0.00 ATOM 136 CB LEU 19 21.470 23.115 7.908 1.00 0.00 ATOM 137 CG LEU 19 21.819 24.431 7.213 1.00 0.00 ATOM 138 CD1 LEU 19 23.121 24.970 7.903 1.00 0.00 ATOM 139 CD2 LEU 19 22.050 24.237 5.703 1.00 0.00 ATOM 140 O LEU 19 19.922 20.298 7.008 1.00 0.00 ATOM 141 C LEU 19 19.947 21.156 7.890 1.00 0.00 ATOM 142 N LEU 20 19.794 20.856 9.171 1.00 0.00 ATOM 143 CA LEU 20 19.667 19.466 9.617 1.00 0.00 ATOM 144 CB LEU 20 19.638 19.394 11.146 1.00 0.00 ATOM 145 CG LEU 20 20.947 19.729 11.865 1.00 0.00 ATOM 146 CD1 LEU 20 20.729 19.803 13.368 1.00 0.00 ATOM 147 CD2 LEU 20 22.000 18.666 11.589 1.00 0.00 ATOM 148 O LEU 20 18.418 17.709 8.562 1.00 0.00 ATOM 149 C LEU 20 18.396 18.828 9.082 1.00 0.00 ATOM 150 N ASP 21 17.283 19.538 9.228 1.00 0.00 ATOM 151 CA ASP 21 16.001 18.979 8.781 1.00 0.00 ATOM 152 CB ASP 21 14.847 19.942 9.065 1.00 0.00 ATOM 153 CG ASP 21 13.496 19.349 8.712 1.00 0.00 ATOM 154 OD1 ASP 21 13.119 18.324 9.317 1.00 0.00 ATOM 155 OD2 ASP 21 12.814 19.912 7.829 1.00 0.00 ATOM 156 O ASP 21 15.572 17.687 6.797 1.00 0.00 ATOM 157 C ASP 21 16.026 18.718 7.275 1.00 0.00 ATOM 158 N GLY 22 16.594 19.635 6.516 1.00 0.00 ATOM 159 CA GLY 22 16.674 19.477 5.071 1.00 0.00 ATOM 160 O GLY 22 17.566 17.940 3.451 1.00 0.00 ATOM 161 C GLY 22 17.647 18.398 4.596 1.00 0.00 ATOM 162 N ALA 23 18.533 17.971 5.495 1.00 0.00 ATOM 163 CA ALA 23 19.455 16.874 5.284 1.00 0.00 ATOM 164 CB ALA 23 20.850 17.254 5.757 1.00 0.00 ATOM 165 O ALA 23 19.840 14.710 6.345 1.00 0.00 ATOM 166 C ALA 23 19.027 15.595 6.042 1.00 0.00 ATOM 167 N ASP 24 17.742 15.532 6.356 1.00 0.00 ATOM 168 CA ASP 24 17.098 14.331 6.879 1.00 0.00 ATOM 169 CB ASP 24 17.288 13.153 5.921 1.00 0.00 ATOM 170 CG ASP 24 16.599 13.370 4.589 1.00 0.00 ATOM 171 OD1 ASP 24 15.398 13.715 4.590 1.00 0.00 ATOM 172 OD2 ASP 24 17.258 13.195 3.541 1.00 0.00 ATOM 173 O ASP 24 17.421 12.842 8.676 1.00 0.00 ATOM 174 C ASP 24 17.511 13.989 8.299 1.00 0.00 ATOM 175 N ILE 25 17.804 14.973 9.095 1.00 0.00 ATOM 176 CA ILE 25 18.133 14.684 10.489 1.00 0.00 ATOM 177 CB ILE 25 19.546 15.164 10.872 1.00 0.00 ATOM 178 CG1 ILE 25 20.603 14.394 10.076 1.00 0.00 ATOM 179 CG2 ILE 25 19.801 14.939 12.354 1.00 0.00 ATOM 180 CD1 ILE 25 22.006 14.936 10.242 1.00 0.00 ATOM 181 O ILE 25 17.077 16.695 11.278 1.00 0.00 ATOM 182 C ILE 25 17.132 15.461 11.332 1.00 0.00 ATOM 183 N GLY 26 16.376 14.738 12.156 1.00 0.00 ATOM 184 CA GLY 26 15.453 15.348 13.102 1.00 0.00 ATOM 185 O GLY 26 17.357 15.959 14.393 1.00 0.00 ATOM 186 C GLY 26 16.193 16.208 14.109 1.00 0.00 ATOM 187 N HIS 27 15.561 17.278 14.561 1.00 0.00 ATOM 188 CA HIS 27 16.170 18.131 15.569 1.00 0.00 ATOM 189 CB HIS 27 16.983 19.246 14.908 1.00 0.00 ATOM 190 CG HIS 27 16.156 20.207 14.113 1.00 0.00 ATOM 191 CD2 HIS 27 15.543 21.503 14.363 1.00 0.00 ATOM 192 ND1 HIS 27 15.788 19.970 12.806 1.00 0.00 ATOM 193 CE1 HIS 27 15.055 21.005 12.362 1.00 0.00 ATOM 194 NE2 HIS 27 14.902 21.930 13.292 1.00 0.00 ATOM 195 O HIS 27 13.934 18.936 16.027 1.00 0.00 ATOM 196 C HIS 27 15.082 18.730 16.457 1.00 0.00 ATOM 197 N LEU 28 15.449 18.988 17.713 1.00 0.00 ATOM 198 CA LEU 28 14.582 19.644 18.656 1.00 0.00 ATOM 199 CB LEU 28 14.452 18.835 19.908 1.00 0.00 ATOM 200 CG LEU 28 13.639 19.490 21.056 1.00 0.00 ATOM 201 CD1 LEU 28 12.207 19.794 20.652 1.00 0.00 ATOM 202 CD2 LEU 28 13.714 18.570 22.275 1.00 0.00 ATOM 203 O LEU 28 16.468 20.995 19.268 1.00 0.00 ATOM 204 C LEU 28 15.243 20.929 19.155 1.00 0.00 ATOM 205 N VAL 29 14.443 21.932 19.467 1.00 0.00 ATOM 206 CA VAL 29 15.025 23.177 19.951 1.00 0.00 ATOM 207 CB VAL 29 14.657 24.157 18.825 1.00 0.00 ATOM 208 CG1 VAL 29 14.483 25.566 19.318 1.00 0.00 ATOM 209 CG2 VAL 29 15.628 23.937 17.655 1.00 0.00 ATOM 210 O VAL 29 13.119 23.541 21.338 1.00 0.00 ATOM 211 C VAL 29 14.340 23.668 21.213 1.00 0.00 ATOM 212 N LEU 30 15.115 24.259 22.107 1.00 0.00 ATOM 213 CA LEU 30 14.548 24.936 23.275 1.00 0.00 ATOM 214 CB LEU 30 14.701 24.044 24.508 1.00 0.00 ATOM 215 CG LEU 30 13.954 22.710 24.477 1.00 0.00 ATOM 216 CD1 LEU 30 14.387 21.824 25.635 1.00 0.00 ATOM 217 CD2 LEU 30 12.452 22.932 24.584 1.00 0.00 ATOM 218 O LEU 30 16.300 26.524 22.971 1.00 0.00 ATOM 219 C LEU 30 15.250 26.265 23.526 1.00 0.00 ATOM 220 N ASP 31 14.604 27.146 24.290 1.00 0.00 ATOM 221 CA ASP 31 15.234 28.380 24.732 1.00 0.00 ATOM 222 CB ASP 31 14.290 29.569 24.543 1.00 0.00 ATOM 223 CG ASP 31 14.974 30.900 24.785 1.00 0.00 ATOM 224 OD1 ASP 31 15.583 31.068 25.863 1.00 0.00 ATOM 225 OD2 ASP 31 14.902 31.776 23.896 1.00 0.00 ATOM 226 O ASP 31 14.718 27.815 26.994 1.00 0.00 ATOM 227 C ASP 31 15.579 28.223 26.209 1.00 0.00 ATOM 228 N GLN 32 16.802 28.568 26.602 1.00 0.00 ATOM 229 CA GLN 32 17.218 28.476 27.998 1.00 0.00 ATOM 230 CB GLN 32 18.562 27.753 28.116 1.00 0.00 ATOM 231 CG GLN 32 18.558 26.341 27.555 1.00 0.00 ATOM 232 CD GLN 32 17.631 25.414 28.316 1.00 0.00 ATOM 233 OE1 GLN 32 17.670 25.353 29.545 1.00 0.00 ATOM 234 NE2 GLN 32 16.793 24.687 27.586 1.00 0.00 ATOM 235 O GLN 32 17.376 30.869 27.975 1.00 0.00 ATOM 236 C GLN 32 17.303 29.844 28.649 1.00 0.00 ATOM 237 N ASN 33 17.293 29.846 29.973 1.00 0.00 ATOM 238 CA ASN 33 17.399 31.091 30.734 1.00 0.00 ATOM 239 CB ASN 33 16.305 31.209 31.798 1.00 0.00 ATOM 240 CG ASN 33 16.378 30.104 32.833 1.00 0.00 ATOM 241 ND2 ASN 33 15.587 30.234 33.891 1.00 0.00 ATOM 242 OD1 ASN 33 17.135 29.146 32.680 1.00 0.00 ATOM 243 O ASN 33 18.833 31.620 32.588 1.00 0.00 ATOM 244 C ASN 33 18.736 31.133 31.463 1.00 0.00 ATOM 245 N MET 34 19.727 30.477 30.871 1.00 0.00 ATOM 246 CA MET 34 21.082 30.422 31.405 1.00 0.00 ATOM 247 CB MET 34 22.023 29.745 30.406 1.00 0.00 ATOM 248 CG MET 34 23.437 29.540 30.925 1.00 0.00 ATOM 249 SD MET 34 24.510 28.734 29.723 1.00 0.00 ATOM 250 CE MET 34 23.928 27.044 29.830 1.00 0.00 ATOM 251 O MET 34 21.405 32.728 30.838 1.00 0.00 ATOM 252 C MET 34 21.584 31.839 31.667 1.00 0.00 ATOM 253 N SER 35 22.248 32.038 32.798 1.00 0.00 ATOM 254 CA SER 35 22.766 33.357 33.143 1.00 0.00 ATOM 255 CB SER 35 23.185 33.401 34.614 1.00 0.00 ATOM 256 OG SER 35 24.314 32.576 34.846 1.00 0.00 ATOM 257 O SER 35 24.569 32.806 31.679 1.00 0.00 ATOM 258 C SER 35 23.962 33.694 32.277 1.00 0.00 ATOM 259 N ILE 36 24.306 34.981 32.221 1.00 0.00 ATOM 260 CA ILE 36 25.449 35.421 31.439 1.00 0.00 ATOM 261 CB ILE 36 25.387 36.948 31.171 1.00 0.00 ATOM 262 CG1 ILE 36 24.132 37.286 30.365 1.00 0.00 ATOM 263 CG2 ILE 36 26.643 37.418 30.453 1.00 0.00 ATOM 264 CD1 ILE 36 23.865 38.773 30.239 1.00 0.00 ATOM 265 O ILE 36 26.955 35.428 33.321 1.00 0.00 ATOM 266 C ILE 36 26.770 35.110 32.145 1.00 0.00 ATOM 267 N LEU 37 27.680 34.521 31.393 1.00 0.00 ATOM 268 CA LEU 37 28.966 34.058 31.887 1.00 0.00 ATOM 269 CB LEU 37 29.126 32.541 31.760 1.00 0.00 ATOM 270 CG LEU 37 28.090 31.685 32.491 1.00 0.00 ATOM 271 CD1 LEU 37 28.263 30.215 32.141 1.00 0.00 ATOM 272 CD2 LEU 37 28.235 31.836 33.997 1.00 0.00 ATOM 273 O LEU 37 29.794 35.741 30.402 1.00 0.00 ATOM 274 C LEU 37 30.068 34.770 31.106 1.00 0.00 ATOM 275 N GLU 38 31.317 34.398 31.343 1.00 0.00 ATOM 276 CA GLU 38 32.437 35.041 30.660 1.00 0.00 ATOM 277 CB GLU 38 33.763 34.427 31.109 1.00 0.00 ATOM 278 CG GLU 38 34.151 34.763 32.540 1.00 0.00 ATOM 279 CD GLU 38 35.444 34.096 32.966 1.00 0.00 ATOM 280 OE1 GLU 38 36.009 33.327 32.159 1.00 0.00 ATOM 281 OE2 GLU 38 35.892 34.342 34.106 1.00 0.00 ATOM 282 O GLU 38 31.777 33.973 28.646 1.00 0.00 ATOM 283 C GLU 38 32.316 34.947 29.168 1.00 0.00 ATOM 284 N GLY 39 32.872 35.966 28.431 1.00 0.00 ATOM 285 CA GLY 39 33.017 35.914 26.990 1.00 0.00 ATOM 286 O GLY 39 31.634 35.307 25.131 1.00 0.00 ATOM 287 C GLY 39 31.724 35.932 26.190 1.00 0.00 ATOM 288 N SER 40 30.724 36.647 26.690 1.00 0.00 ATOM 289 CA SER 40 29.427 36.729 26.031 1.00 0.00 ATOM 290 CB SER 40 29.577 37.360 24.646 1.00 0.00 ATOM 291 OG SER 40 30.114 38.667 24.735 1.00 0.00 ATOM 292 O SER 40 28.014 35.159 24.895 1.00 0.00 ATOM 293 C SER 40 28.758 35.370 25.851 1.00 0.00 ATOM 294 N LEU 41 29.011 34.455 26.779 1.00 0.00 ATOM 295 CA LEU 41 28.376 33.150 26.717 1.00 0.00 ATOM 296 CB LEU 41 29.400 32.052 27.016 1.00 0.00 ATOM 297 CG LEU 41 30.633 32.011 26.111 1.00 0.00 ATOM 298 CD1 LEU 41 31.607 30.941 26.578 1.00 0.00 ATOM 299 CD2 LEU 41 30.236 31.698 24.677 1.00 0.00 ATOM 300 O LEU 41 27.200 33.936 28.661 1.00 0.00 ATOM 301 C LEU 41 27.253 33.108 27.744 1.00 0.00 ATOM 302 N GLY 42 26.350 32.141 27.573 1.00 0.00 ATOM 303 CA GLY 42 25.232 31.998 28.490 1.00 0.00 ATOM 304 O GLY 42 22.902 32.495 28.649 1.00 0.00 ATOM 305 C GLY 42 23.988 32.799 28.149 1.00 0.00 ATOM 306 N VAL 43 24.123 33.783 27.262 1.00 0.00 ATOM 307 CA VAL 43 22.987 34.609 26.854 1.00 0.00 ATOM 308 CB VAL 43 23.555 35.737 26.032 1.00 0.00 ATOM 309 CG1 VAL 43 22.524 36.522 25.191 1.00 0.00 ATOM 310 CG2 VAL 43 24.296 36.767 26.970 1.00 0.00 ATOM 311 O VAL 43 22.385 32.819 25.325 1.00 0.00 ATOM 312 C VAL 43 22.014 33.776 26.010 1.00 0.00 ATOM 313 N ILE 44 20.717 34.262 26.179 1.00 0.00 ATOM 314 CA ILE 44 19.643 33.550 25.493 1.00 0.00 ATOM 315 CB ILE 44 19.197 32.353 26.351 1.00 0.00 ATOM 316 CG1 ILE 44 20.391 31.411 26.560 1.00 0.00 ATOM 317 CG2 ILE 44 18.030 31.634 25.667 1.00 0.00 ATOM 318 CD1 ILE 44 20.149 30.308 27.567 1.00 0.00 ATOM 319 O ILE 44 17.882 34.891 26.371 1.00 0.00 ATOM 320 C ILE 44 18.435 34.458 25.360 1.00 0.00 ATOM 321 N PRO 45 19.012 32.256 25.253 1.00 0.00 ATOM 322 CA PRO 45 19.729 31.638 24.145 1.00 0.00 ATOM 323 CB PRO 45 20.998 31.117 24.785 1.00 0.00 ATOM 324 CG PRO 45 20.687 30.950 26.238 1.00 0.00 ATOM 325 CD PRO 45 19.596 31.925 26.567 1.00 0.00 ATOM 326 O PRO 45 18.189 29.817 24.457 1.00 0.00 ATOM 327 C PRO 45 19.068 30.315 23.749 1.00 0.00 ATOM 328 N ARG 46 19.462 29.781 22.587 1.00 0.00 ATOM 329 CA ARG 46 18.808 28.616 22.014 1.00 0.00 ATOM 330 CB ARG 46 18.460 28.839 20.541 1.00 0.00 ATOM 331 CG ARG 46 17.498 29.990 20.297 1.00 0.00 ATOM 332 CD ARG 46 16.063 29.579 20.583 1.00 0.00 ATOM 333 NE ARG 46 15.118 30.656 20.295 1.00 0.00 ATOM 334 CZ ARG 46 13.815 30.596 20.555 1.00 0.00 ATOM 335 NH1 ARG 46 13.033 31.625 20.259 1.00 0.00 ATOM 336 NH2 ARG 46 13.299 29.509 21.111 1.00 0.00 ATOM 337 O ARG 46 20.929 27.547 22.273 1.00 0.00 ATOM 338 C ARG 46 19.712 27.411 22.207 1.00 0.00 ATOM 339 N ARG 47 19.080 26.250 22.342 1.00 0.00 ATOM 340 CA ARG 47 19.757 24.966 22.453 1.00 0.00 ATOM 341 CB ARG 47 19.730 24.387 23.891 1.00 0.00 ATOM 342 CG ARG 47 20.215 22.947 23.997 1.00 0.00 ATOM 343 CD ARG 47 20.265 22.469 25.450 1.00 0.00 ATOM 344 NE ARG 47 18.956 22.154 26.024 1.00 0.00 ATOM 345 CZ ARG 47 18.261 21.046 25.773 1.00 0.00 ATOM 346 NH1 ARG 47 18.732 20.123 24.943 1.00 0.00 ATOM 347 NH2 ARG 47 17.101 20.841 26.381 1.00 0.00 ATOM 348 O ARG 47 17.898 23.831 21.443 1.00 0.00 ATOM 349 C ARG 47 19.118 23.985 21.476 1.00 0.00 ATOM 350 N VAL 48 19.950 23.344 20.661 1.00 0.00 ATOM 351 CA VAL 48 19.494 22.369 19.676 1.00 0.00 ATOM 352 CB VAL 48 20.045 22.643 18.264 1.00 0.00 ATOM 353 CG1 VAL 48 19.603 21.554 17.299 1.00 0.00 ATOM 354 CG2 VAL 48 19.538 23.980 17.744 1.00 0.00 ATOM 355 O VAL 48 21.072 20.806 20.520 1.00 0.00 ATOM 356 C VAL 48 19.933 21.001 20.122 1.00 0.00 ATOM 357 N LEU 49 19.012 19.995 20.051 1.00 0.00 ATOM 358 CA LEU 49 19.340 18.629 20.415 1.00 0.00 ATOM 359 CB LEU 49 18.625 18.241 21.709 1.00 0.00 ATOM 360 CG LEU 49 17.112 18.462 21.740 1.00 0.00 ATOM 361 CD1 LEU 49 16.389 17.348 20.997 1.00 0.00 ATOM 362 CD2 LEU 49 16.601 18.486 23.174 1.00 0.00 ATOM 363 O LEU 49 18.091 18.118 18.443 1.00 0.00 ATOM 364 C LEU 49 18.890 17.717 19.286 1.00 0.00 ATOM 365 N VAL 50 19.362 16.463 19.326 1.00 0.00 ATOM 366 CA VAL 50 18.898 15.464 18.378 1.00 0.00 ATOM 367 CB VAL 50 19.931 15.172 17.274 1.00 0.00 ATOM 368 CG1 VAL 50 20.200 16.424 16.451 1.00 0.00 ATOM 369 CG2 VAL 50 21.245 14.706 17.882 1.00 0.00 ATOM 370 O VAL 50 19.086 13.981 20.260 1.00 0.00 ATOM 371 C VAL 50 18.636 14.162 19.134 1.00 0.00 ATOM 372 N HIS 51 17.902 13.260 18.504 1.00 0.00 ATOM 373 CA HIS 51 17.790 11.901 19.024 1.00 0.00 ATOM 374 CB HIS 51 16.797 11.085 18.194 1.00 0.00 ATOM 375 CG HIS 51 15.377 11.536 18.327 1.00 0.00 ATOM 376 CD2 HIS 51 14.302 10.934 18.889 1.00 0.00 ATOM 377 ND1 HIS 51 14.930 12.750 17.850 1.00 0.00 ATOM 378 CE1 HIS 51 13.643 12.876 18.114 1.00 0.00 ATOM 379 NE2 HIS 51 13.237 11.789 18.744 1.00 0.00 ATOM 380 O HIS 51 20.046 11.709 18.240 1.00 0.00 ATOM 381 C HIS 51 19.203 11.358 19.085 1.00 0.00 ATOM 382 N GLU 52 19.519 10.569 20.114 1.00 0.00 ATOM 383 CA GLU 52 20.906 10.138 20.306 1.00 0.00 ATOM 384 CB GLU 52 21.021 9.226 21.528 1.00 0.00 ATOM 385 CG GLU 52 22.443 8.790 21.846 1.00 0.00 ATOM 386 CD GLU 52 22.531 7.970 23.118 1.00 0.00 ATOM 387 OE1 GLU 52 21.482 7.759 23.763 1.00 0.00 ATOM 388 OE2 GLU 52 23.649 7.537 23.469 1.00 0.00 ATOM 389 O GLU 52 22.658 9.464 18.809 1.00 0.00 ATOM 390 C GLU 52 21.481 9.344 19.126 1.00 0.00 ATOM 391 N ASP 53 20.647 8.534 18.521 1.00 0.00 ATOM 392 CA ASP 53 21.042 7.719 17.369 1.00 0.00 ATOM 393 CB ASP 53 19.899 6.805 16.923 1.00 0.00 ATOM 394 CG ASP 53 19.612 5.700 17.920 1.00 0.00 ATOM 395 OD1 ASP 53 20.444 5.487 18.826 1.00 0.00 ATOM 396 OD2 ASP 53 18.555 5.047 17.795 1.00 0.00 ATOM 397 O ASP 53 22.273 8.074 15.361 1.00 0.00 ATOM 398 C ASP 53 21.494 8.549 16.182 1.00 0.00 ATOM 399 N ASP 54 21.013 9.786 16.115 1.00 0.00 ATOM 400 CA ASP 54 21.307 10.686 15.006 1.00 0.00 ATOM 401 CB ASP 54 20.116 11.613 14.748 1.00 0.00 ATOM 402 CG ASP 54 18.868 10.856 14.335 1.00 0.00 ATOM 403 OD1 ASP 54 18.966 9.996 13.435 1.00 0.00 ATOM 404 OD2 ASP 54 17.793 11.124 14.912 1.00 0.00 ATOM 405 O ASP 54 22.657 12.617 14.532 1.00 0.00 ATOM 406 C ASP 54 22.501 11.612 15.254 1.00 0.00 ATOM 407 N LEU 55 23.224 11.371 16.360 1.00 0.00 ATOM 408 CA LEU 55 24.263 12.355 16.746 1.00 0.00 ATOM 409 CB LEU 55 24.889 11.985 18.093 1.00 0.00 ATOM 410 CG LEU 55 23.994 12.148 19.324 1.00 0.00 ATOM 411 CD1 LEU 55 24.677 11.592 20.563 1.00 0.00 ATOM 412 CD2 LEU 55 23.682 13.617 19.572 1.00 0.00 ATOM 413 O LEU 55 25.840 13.589 15.453 1.00 0.00 ATOM 414 C LEU 55 25.377 12.468 15.726 1.00 0.00 ATOM 415 N ALA 56 25.908 11.338 15.177 1.00 0.00 ATOM 416 CA ALA 56 26.981 11.403 14.183 1.00 0.00 ATOM 417 CB ALA 56 27.361 9.985 13.784 1.00 0.00 ATOM 418 O ALA 56 27.345 13.075 12.509 1.00 0.00 ATOM 419 C ALA 56 26.587 12.217 12.963 1.00 0.00 ATOM 420 N GLY 57 25.405 11.969 12.373 1.00 0.00 ATOM 421 CA GLY 57 24.970 12.731 11.206 1.00 0.00 ATOM 422 O GLY 57 25.182 15.089 10.760 1.00 0.00 ATOM 423 C GLY 57 24.809 14.221 11.557 1.00 0.00 ATOM 424 N ALA 58 24.237 14.502 12.736 1.00 0.00 ATOM 425 CA ALA 58 24.070 15.866 13.226 1.00 0.00 ATOM 426 CB ALA 58 23.375 15.861 14.579 1.00 0.00 ATOM 427 O ALA 58 25.568 17.711 13.025 1.00 0.00 ATOM 428 C ALA 58 25.401 16.572 13.421 1.00 0.00 ATOM 429 N ARG 59 26.355 15.886 13.976 1.00 0.00 ATOM 430 CA ARG 59 27.678 16.476 14.184 1.00 0.00 ATOM 431 CB ARG 59 28.613 15.470 14.856 1.00 0.00 ATOM 432 CG ARG 59 28.289 15.203 16.318 1.00 0.00 ATOM 433 CD ARG 59 29.226 14.161 16.909 1.00 0.00 ATOM 434 NE ARG 59 28.897 13.856 18.298 1.00 0.00 ATOM 435 CZ ARG 59 29.524 12.940 19.031 1.00 0.00 ATOM 436 NH1 ARG 59 29.157 12.731 20.288 1.00 0.00 ATOM 437 NH2 ARG 59 30.518 12.238 18.505 1.00 0.00 ATOM 438 O ARG 59 28.827 18.046 12.740 1.00 0.00 ATOM 439 C ARG 59 28.355 16.911 12.876 1.00 0.00 ATOM 440 N ARG 60 28.356 16.010 11.898 1.00 0.00 ATOM 441 CA ARG 60 28.993 16.273 10.612 1.00 0.00 ATOM 442 CB ARG 60 28.989 14.913 9.807 1.00 0.00 ATOM 443 CG ARG 60 30.122 13.947 10.114 1.00 0.00 ATOM 444 CD ARG 60 30.302 12.939 8.987 1.00 0.00 ATOM 445 NE ARG 60 29.490 11.743 9.186 1.00 0.00 ATOM 446 CZ ARG 60 29.592 10.939 10.241 1.00 0.00 ATOM 447 NH1 ARG 60 30.472 11.205 11.196 1.00 0.00 ATOM 448 NH2 ARG 60 28.812 9.872 10.341 1.00 0.00 ATOM 449 O ARG 60 28.936 18.278 9.315 1.00 0.00 ATOM 450 C ARG 60 28.285 17.379 9.848 1.00 0.00 ATOM 451 N LEU 61 26.918 17.417 9.850 1.00 0.00 ATOM 452 CA LEU 61 26.176 18.452 9.129 1.00 0.00 ATOM 453 CB LEU 61 24.673 18.199 9.180 1.00 0.00 ATOM 454 CG LEU 61 23.766 19.222 8.481 1.00 0.00 ATOM 455 CD1 LEU 61 24.197 19.404 7.031 1.00 0.00 ATOM 456 CD2 LEU 61 22.317 18.746 8.557 1.00 0.00 ATOM 457 O LEU 61 26.646 20.881 8.946 1.00 0.00 ATOM 458 C LEU 61 26.402 19.889 9.694 1.00 0.00 ATOM 459 N LEU 62 26.171 20.025 10.987 1.00 0.00 ATOM 460 CA LEU 62 26.295 21.301 11.646 1.00 0.00 ATOM 461 CB LEU 62 25.902 21.172 13.138 1.00 0.00 ATOM 462 CG LEU 62 24.469 20.665 13.383 1.00 0.00 ATOM 463 CD1 LEU 62 24.252 20.623 14.897 1.00 0.00 ATOM 464 CD2 LEU 62 23.396 21.457 12.714 1.00 0.00 ATOM 465 O LEU 62 27.765 23.101 11.222 1.00 0.00 ATOM 466 C LEU 62 27.686 21.928 11.558 1.00 0.00 ATOM 467 N THR 63 28.763 21.181 11.855 1.00 0.00 ATOM 468 CA THR 63 30.159 21.681 11.658 1.00 0.00 ATOM 469 CB THR 63 31.198 20.599 12.009 1.00 0.00 ATOM 470 CG2 THR 63 32.607 21.113 11.757 1.00 0.00 ATOM 471 OG1 THR 63 31.074 20.242 13.391 1.00 0.00 ATOM 472 O THR 63 31.007 23.121 9.938 1.00 0.00 ATOM 473 C THR 63 30.396 22.086 10.209 1.00 0.00 ATOM 474 N ASP 64 29.887 21.275 9.252 1.00 0.00 ATOM 475 CA ASP 64 30.036 21.570 7.834 1.00 0.00 ATOM 476 CB ASP 64 29.364 20.453 7.034 1.00 0.00 ATOM 477 CG ASP 64 29.550 20.614 5.538 1.00 0.00 ATOM 478 OD1 ASP 64 30.712 20.584 5.078 1.00 0.00 ATOM 479 OD2 ASP 64 28.535 20.769 4.826 1.00 0.00 ATOM 480 O ASP 64 29.824 23.575 6.535 1.00 0.00 ATOM 481 C ASP 64 29.364 22.893 7.460 1.00 0.00 ATOM 482 N ALA 65 28.237 23.195 8.106 1.00 0.00 ATOM 483 CA ALA 65 27.521 24.452 7.923 1.00 0.00 ATOM 484 CB ALA 65 26.034 24.256 8.173 1.00 0.00 ATOM 485 O ALA 65 27.537 26.636 8.822 1.00 0.00 ATOM 486 C ALA 65 28.087 25.532 8.815 1.00 0.00 ATOM 487 N GLY 66 29.139 25.304 9.572 1.00 0.00 ATOM 488 CA GLY 66 29.793 26.334 10.318 1.00 0.00 ATOM 489 O GLY 66 29.226 27.898 12.035 1.00 0.00 ATOM 490 C GLY 66 29.023 26.764 11.555 1.00 0.00 ATOM 491 N LEU 67 28.233 25.830 12.110 1.00 0.00 ATOM 492 CA LEU 67 27.626 26.090 13.434 1.00 0.00 ATOM 493 CB LEU 67 26.746 24.913 13.857 1.00 0.00 ATOM 494 CG LEU 67 26.076 25.022 15.228 1.00 0.00 ATOM 495 CD1 LEU 67 25.136 26.217 15.272 1.00 0.00 ATOM 496 CD2 LEU 67 25.270 23.771 15.535 1.00 0.00 ATOM 497 O LEU 67 28.453 27.139 15.409 1.00 0.00 ATOM 498 C LEU 67 28.693 26.299 14.558 1.00 0.00 ATOM 499 N ALA 68 29.705 25.478 14.505 1.00 0.00 ATOM 500 CA ALA 68 30.788 25.616 15.524 1.00 0.00 ATOM 501 CB ALA 68 31.876 24.584 15.269 1.00 0.00 ATOM 502 O ALA 68 31.715 27.662 16.427 1.00 0.00 ATOM 503 C ALA 68 31.433 26.973 15.420 1.00 0.00 ATOM 504 N HIS 69 31.670 27.470 14.213 1.00 0.00 ATOM 505 CA HIS 69 32.210 28.818 14.060 1.00 0.00 ATOM 506 CB HIS 69 32.390 29.157 12.580 1.00 0.00 ATOM 507 CG HIS 69 32.933 30.531 12.335 1.00 0.00 ATOM 508 CD2 HIS 69 32.397 31.785 11.829 1.00 0.00 ATOM 509 ND1 HIS 69 34.243 30.870 12.599 1.00 0.00 ATOM 510 CE1 HIS 69 34.433 32.163 12.280 1.00 0.00 ATOM 511 NE2 HIS 69 33.329 32.719 11.818 1.00 0.00 ATOM 512 O HIS 69 31.695 30.659 15.509 1.00 0.00 ATOM 513 C HIS 69 31.260 29.830 14.719 1.00 0.00 ATOM 514 N GLU 70 29.977 29.781 14.422 1.00 0.00 ATOM 515 CA GLU 70 28.999 30.716 14.957 1.00 0.00 ATOM 516 CB GLU 70 27.636 30.484 14.303 1.00 0.00 ATOM 517 CG GLU 70 27.582 30.857 12.831 1.00 0.00 ATOM 518 CD GLU 70 27.933 32.311 12.585 1.00 0.00 ATOM 519 OE1 GLU 70 27.325 33.188 13.235 1.00 0.00 ATOM 520 OE2 GLU 70 28.818 32.575 11.743 1.00 0.00 ATOM 521 O GLU 70 28.823 31.545 17.203 1.00 0.00 ATOM 522 C GLU 70 28.873 30.558 16.471 1.00 0.00 ATOM 523 N LEU 71 28.792 29.316 16.935 1.00 0.00 ATOM 524 CA LEU 71 28.676 29.055 18.368 1.00 0.00 ATOM 525 CB LEU 71 28.514 27.556 18.628 1.00 0.00 ATOM 526 CG LEU 71 28.352 27.137 20.090 1.00 0.00 ATOM 527 CD1 LEU 71 27.102 27.760 20.694 1.00 0.00 ATOM 528 CD2 LEU 71 28.233 25.625 20.206 1.00 0.00 ATOM 529 O LEU 71 29.856 30.083 20.184 1.00 0.00 ATOM 530 C LEU 71 29.927 29.561 19.073 1.00 0.00 ATOM 531 N ARG 72 31.078 29.361 18.442 1.00 0.00 ATOM 532 CA ARG 72 32.330 29.822 19.013 1.00 0.00 ATOM 533 CB ARG 72 33.500 29.475 18.092 1.00 0.00 ATOM 534 CG ARG 72 34.860 29.881 18.635 1.00 0.00 ATOM 535 CD ARG 72 35.983 29.406 17.727 1.00 0.00 ATOM 536 NE ARG 72 37.295 29.825 18.213 1.00 0.00 ATOM 537 CZ ARG 72 38.439 29.584 17.579 1.00 0.00 ATOM 538 NH1 ARG 72 39.585 30.003 18.097 1.00 0.00 ATOM 539 NH2 ARG 72 38.433 28.924 16.429 1.00 0.00 ATOM 540 O ARG 72 32.883 31.860 20.165 1.00 0.00 ATOM 541 C ARG 72 32.318 31.338 19.213 1.00 0.00 ATOM 542 N SER 73 31.648 32.013 18.197 1.00 0.00 ATOM 543 CA SER 73 31.600 33.458 18.235 1.00 0.00 ATOM 544 CB SER 73 31.367 34.028 16.841 1.00 0.00 ATOM 545 OG SER 73 30.093 33.639 16.349 1.00 0.00 ATOM 546 O SER 73 29.758 33.078 19.758 1.00 0.00 ATOM 547 C SER 73 30.493 33.887 19.198 1.00 0.00 ATOM 548 N ASP 74 30.281 35.209 19.429 1.00 0.00 ATOM 549 CA ASP 74 29.172 35.702 20.245 1.00 0.00 ATOM 550 CB ASP 74 29.193 37.198 20.315 1.00 0.00 ATOM 551 CG ASP 74 30.197 37.795 21.295 1.00 0.00 ATOM 552 OD1 ASP 74 30.715 37.030 22.125 1.00 0.00 ATOM 553 OD2 ASP 74 30.443 39.020 21.229 1.00 0.00 ATOM 554 O ASP 74 26.926 34.961 20.600 1.00 0.00 ATOM 555 C ASP 74 27.795 35.249 19.784 1.00 0.00 ATOM 556 N ASP 75 27.577 35.235 18.456 1.00 0.00 ATOM 557 CA ASP 75 26.311 34.824 17.880 1.00 0.00 ATOM 558 CB ASP 75 26.247 34.995 16.383 1.00 0.00 ATOM 559 CG ASP 75 26.336 36.443 15.940 1.00 0.00 ATOM 560 OD1 ASP 75 25.573 37.264 16.470 1.00 0.00 ATOM 561 OD2 ASP 75 27.161 36.719 15.062 1.00 0.00 ATOM 562 O ASP 75 24.802 32.978 18.084 1.00 0.00 ATOM 563 C ASP 75 25.955 33.381 18.184 1.00 0.00 TER END