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 4 Sun Jul 16 10:33:47 2006 MODEL 4 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 17.527 11.642 24.281 1.00 0.00 ATOM 2 CA MET 1 17.787 12.875 23.560 1.00 0.00 ATOM 3 CB MET 1 16.729 13.922 23.907 1.00 0.00 ATOM 4 CG MET 1 15.305 13.522 23.548 1.00 0.00 ATOM 5 SD MET 1 15.061 13.342 21.770 1.00 0.00 ATOM 6 CE MET 1 13.483 12.497 21.730 1.00 0.00 ATOM 7 O MET 1 19.730 12.866 24.954 1.00 0.00 ATOM 8 C MET 1 19.191 13.318 23.937 1.00 0.00 ATOM 9 N ARG 2 19.868 13.937 22.994 1.00 0.00 ATOM 10 CA ARG 2 21.217 14.484 23.233 1.00 0.00 ATOM 11 CB ARG 2 22.301 13.647 22.570 1.00 0.00 ATOM 12 CG ARG 2 22.373 12.204 23.043 1.00 0.00 ATOM 13 CD ARG 2 22.886 12.037 24.428 1.00 0.00 ATOM 14 NE ARG 2 24.260 12.473 24.618 1.00 0.00 ATOM 15 CZ ARG 2 25.345 11.717 24.365 1.00 0.00 ATOM 16 NH1 ARG 2 25.223 10.476 23.948 1.00 0.00 ATOM 17 NH2 ARG 2 26.538 12.247 24.570 1.00 0.00 ATOM 18 O ARG 2 20.929 16.268 21.669 1.00 0.00 ATOM 19 C ARG 2 21.287 15.942 22.804 1.00 0.00 ATOM 20 N GLU 3 21.747 16.773 23.724 1.00 0.00 ATOM 21 CA GLU 3 21.966 18.206 23.455 1.00 0.00 ATOM 22 CB GLU 3 22.260 18.957 24.755 1.00 0.00 ATOM 23 CG GLU 3 22.406 20.463 24.593 1.00 0.00 ATOM 24 CD GLU 3 22.641 21.135 25.916 1.00 0.00 ATOM 25 OE1 GLU 3 22.685 20.450 26.910 1.00 0.00 ATOM 26 OE2 GLU 3 22.890 22.318 25.924 1.00 0.00 ATOM 27 O GLU 3 24.171 17.766 22.576 1.00 0.00 ATOM 28 C GLU 3 23.118 18.387 22.452 1.00 0.00 ATOM 29 N LEU 4 22.847 19.236 21.475 1.00 0.00 ATOM 30 CA LEU 4 23.867 19.621 20.478 1.00 0.00 ATOM 31 CB LEU 4 23.218 19.809 19.101 1.00 0.00 ATOM 32 CG LEU 4 23.339 18.607 18.154 1.00 0.00 ATOM 33 CD1 LEU 4 22.796 17.355 18.828 1.00 0.00 ATOM 34 CD2 LEU 4 22.582 18.898 16.866 1.00 0.00 ATOM 35 O LEU 4 25.791 20.863 21.047 1.00 0.00 ATOM 36 C LEU 4 24.578 20.885 20.917 1.00 0.00 ATOM 37 N LEU 5 23.804 21.946 21.064 1.00 0.00 ATOM 38 CA LEU 5 24.316 23.290 21.396 1.00 0.00 ATOM 39 CB LEU 5 24.644 24.065 20.113 1.00 0.00 ATOM 40 CG LEU 5 25.812 23.504 19.293 1.00 0.00 ATOM 41 CD1 LEU 5 25.883 24.203 17.942 1.00 0.00 ATOM 42 CD2 LEU 5 27.111 23.687 20.064 1.00 0.00 ATOM 43 O LEU 5 22.080 23.856 22.112 1.00 0.00 ATOM 44 C LEU 5 23.286 24.042 22.249 1.00 0.00 ATOM 45 N ARG 6 23.820 24.885 23.100 1.00 0.00 ATOM 46 CA ARG 6 23.162 25.840 23.990 1.00 0.00 ATOM 47 CB ARG 6 23.342 25.476 25.457 1.00 0.00 ATOM 48 CG ARG 6 24.774 25.552 25.962 1.00 0.00 ATOM 49 CD ARG 6 24.938 25.193 27.395 1.00 0.00 ATOM 50 NE ARG 6 24.581 23.821 27.717 1.00 0.00 ATOM 51 CZ ARG 6 24.525 23.318 28.966 1.00 0.00 ATOM 52 NH1 ARG 6 24.837 24.056 30.008 1.00 0.00 ATOM 53 NH2 ARG 6 24.171 22.053 29.114 1.00 0.00 ATOM 54 O ARG 6 24.826 27.326 23.055 1.00 0.00 ATOM 55 C ARG 6 23.727 27.205 23.582 1.00 0.00 ATOM 56 N THR 7 23.036 28.203 24.085 1.00 0.00 ATOM 57 CA THR 7 23.513 29.578 24.051 1.00 0.00 ATOM 58 CB THR 7 24.883 29.718 24.740 1.00 0.00 ATOM 59 CG2 THR 7 25.268 31.184 24.871 1.00 0.00 ATOM 60 OG1 THR 7 24.829 29.124 26.043 1.00 0.00 ATOM 61 O THR 7 24.285 31.096 22.405 1.00 0.00 ATOM 62 C THR 7 23.627 30.104 22.631 1.00 0.00 ATOM 63 N ASN 8 22.625 29.681 21.854 1.00 0.00 ATOM 64 CA ASN 8 22.495 30.145 20.473 1.00 0.00 ATOM 65 CB ASN 8 22.107 29.012 19.541 1.00 0.00 ATOM 66 CG ASN 8 23.184 27.978 19.363 1.00 0.00 ATOM 67 ND2 ASN 8 22.777 26.799 18.969 1.00 0.00 ATOM 68 OD1 ASN 8 24.379 28.266 19.509 1.00 0.00 ATOM 69 O ASN 8 20.365 31.167 20.876 1.00 0.00 ATOM 70 C ASN 8 21.491 31.279 20.360 1.00 0.00 ATOM 71 N ASP 9 21.794 32.185 19.446 1.00 0.00 ATOM 72 CA ASP 9 20.803 33.197 19.038 1.00 0.00 ATOM 73 CB ASP 9 21.449 34.235 18.106 1.00 0.00 ATOM 74 CG ASP 9 22.367 35.217 18.845 1.00 0.00 ATOM 75 OD1 ASP 9 22.156 35.351 20.071 1.00 0.00 ATOM 76 OD2 ASP 9 22.949 36.050 18.119 1.00 0.00 ATOM 77 O ASP 9 19.747 31.416 17.754 1.00 0.00 ATOM 78 C ASP 9 19.637 32.507 18.317 1.00 0.00 ATOM 79 N ALA 10 18.471 33.144 18.379 1.00 0.00 ATOM 80 CA ALA 10 17.285 32.666 17.635 1.00 0.00 ATOM 81 CB ALA 10 16.116 33.627 17.837 1.00 0.00 ATOM 82 O ALA 10 17.320 31.409 15.611 1.00 0.00 ATOM 83 C ALA 10 17.585 32.492 16.132 1.00 0.00 ATOM 84 N VAL 11 18.288 33.453 15.518 1.00 0.00 ATOM 85 CA VAL 11 18.639 33.382 14.082 1.00 0.00 ATOM 86 CB VAL 11 19.389 34.646 13.622 1.00 0.00 ATOM 87 CG1 VAL 11 19.912 34.468 12.204 1.00 0.00 ATOM 88 CG2 VAL 11 18.483 35.864 13.703 1.00 0.00 ATOM 89 O VAL 11 19.172 31.381 12.853 1.00 0.00 ATOM 90 C VAL 11 19.505 32.150 13.755 1.00 0.00 ATOM 91 N LEU 12 20.562 31.955 14.537 1.00 0.00 ATOM 92 CA LEU 12 21.530 30.896 14.243 1.00 0.00 ATOM 93 CB LEU 12 22.824 31.093 15.025 1.00 0.00 ATOM 94 CG LEU 12 23.786 29.921 14.825 1.00 0.00 ATOM 95 CD1 LEU 12 24.227 29.705 13.366 1.00 0.00 ATOM 96 CD2 LEU 12 24.964 30.198 15.711 1.00 0.00 ATOM 97 O LEU 12 21.068 28.595 13.759 1.00 0.00 ATOM 98 C LEU 12 20.965 29.528 14.551 1.00 0.00 ATOM 99 N LEU 13 20.193 29.488 15.633 1.00 0.00 ATOM 100 CA LEU 13 19.485 28.275 15.974 1.00 0.00 ATOM 101 CB LEU 13 18.744 28.443 17.302 1.00 0.00 ATOM 102 CG LEU 13 18.167 27.082 17.617 1.00 0.00 ATOM 103 CD1 LEU 13 19.421 26.340 17.974 1.00 0.00 ATOM 104 CD2 LEU 13 17.485 26.856 18.931 1.00 0.00 ATOM 105 O LEU 13 18.493 26.664 14.483 1.00 0.00 ATOM 106 C LEU 13 18.529 27.834 14.866 1.00 0.00 ATOM 107 N SER 14 17.828 28.828 14.314 1.00 0.00 ATOM 108 CA SER 14 16.946 28.622 13.160 1.00 0.00 ATOM 109 CB SER 14 16.217 29.906 12.765 1.00 0.00 ATOM 110 OG SER 14 15.267 30.255 13.768 1.00 0.00 ATOM 111 O SER 14 17.301 27.036 11.411 1.00 0.00 ATOM 112 C SER 14 17.698 28.072 11.947 1.00 0.00 ATOM 113 N ALA 15 18.867 28.665 11.660 1.00 0.00 ATOM 114 CA ALA 15 19.717 28.265 10.528 1.00 0.00 ATOM 115 CB ALA 15 20.938 29.177 10.523 1.00 0.00 ATOM 116 O ALA 15 19.967 25.991 9.731 1.00 0.00 ATOM 117 C ALA 15 20.165 26.806 10.648 1.00 0.00 ATOM 118 N VAL 16 20.570 26.460 11.859 1.00 0.00 ATOM 119 CA VAL 16 21.060 25.104 12.181 1.00 0.00 ATOM 120 CB VAL 16 21.739 25.060 13.562 1.00 0.00 ATOM 121 CG1 VAL 16 22.182 23.643 13.894 1.00 0.00 ATOM 122 CG2 VAL 16 22.927 26.011 13.602 1.00 0.00 ATOM 123 O VAL 16 20.093 22.991 11.587 1.00 0.00 ATOM 124 C VAL 16 19.927 24.066 12.156 1.00 0.00 ATOM 125 N GLY 17 18.801 24.400 12.768 1.00 0.00 ATOM 126 CA GLY 17 17.666 23.463 12.811 1.00 0.00 ATOM 127 O GLY 17 16.945 22.089 10.998 1.00 0.00 ATOM 128 C GLY 17 17.102 23.229 11.409 1.00 0.00 ATOM 129 N ALA 18 17.012 24.291 10.611 1.00 0.00 ATOM 130 CA ALA 18 16.560 24.166 9.220 1.00 0.00 ATOM 131 CB ALA 18 16.361 25.557 8.621 1.00 0.00 ATOM 132 O ALA 18 17.128 22.507 7.565 1.00 0.00 ATOM 133 C ALA 18 17.547 23.337 8.373 1.00 0.00 ATOM 134 N LEU 19 18.844 23.536 8.607 1.00 0.00 ATOM 135 CA LEU 19 19.884 22.726 7.946 1.00 0.00 ATOM 136 CB LEU 19 21.278 23.199 8.376 1.00 0.00 ATOM 137 CG LEU 19 22.388 22.995 7.336 1.00 0.00 ATOM 138 CD1 LEU 19 23.334 24.187 7.341 1.00 0.00 ATOM 139 CD2 LEU 19 23.139 21.708 7.641 1.00 0.00 ATOM 140 O LEU 19 19.764 20.411 7.332 1.00 0.00 ATOM 141 C LEU 19 19.729 21.235 8.242 1.00 0.00 ATOM 142 N LEU 20 19.596 20.930 9.533 1.00 0.00 ATOM 143 CA LEU 20 19.446 19.533 9.983 1.00 0.00 ATOM 144 CB LEU 20 19.404 19.445 11.514 1.00 0.00 ATOM 145 CG LEU 20 20.787 19.604 12.135 1.00 0.00 ATOM 146 CD1 LEU 20 20.626 19.802 13.634 1.00 0.00 ATOM 147 CD2 LEU 20 21.653 18.363 11.900 1.00 0.00 ATOM 148 O LEU 20 18.293 17.819 8.819 1.00 0.00 ATOM 149 C LEU 20 18.187 18.869 9.444 1.00 0.00 ATOM 150 N ASP 21 17.088 19.606 9.526 1.00 0.00 ATOM 151 CA ASP 21 15.800 19.117 9.047 1.00 0.00 ATOM 152 CB ASP 21 14.689 20.114 9.384 1.00 0.00 ATOM 153 CG ASP 21 13.287 19.640 9.022 1.00 0.00 ATOM 154 OD1 ASP 21 12.860 18.646 9.560 1.00 0.00 ATOM 155 OD2 ASP 21 12.598 20.358 8.337 1.00 0.00 ATOM 156 O ASP 21 15.680 17.699 7.212 1.00 0.00 ATOM 157 C ASP 21 15.832 18.857 7.544 1.00 0.00 ATOM 158 N GLY 22 16.459 19.767 6.798 1.00 0.00 ATOM 159 CA GLY 22 16.597 19.671 5.329 1.00 0.00 ATOM 160 O GLY 22 17.506 18.122 3.691 1.00 0.00 ATOM 161 C GLY 22 17.524 18.532 4.863 1.00 0.00 ATOM 162 N ALA 23 18.401 18.119 5.772 1.00 0.00 ATOM 163 CA ALA 23 19.317 16.992 5.575 1.00 0.00 ATOM 164 CB ALA 23 20.729 17.438 5.946 1.00 0.00 ATOM 165 O ALA 23 19.739 14.990 6.884 1.00 0.00 ATOM 166 C ALA 23 18.904 15.753 6.392 1.00 0.00 ATOM 167 N ASP 24 17.593 15.645 6.566 1.00 0.00 ATOM 168 CA ASP 24 16.925 14.444 7.089 1.00 0.00 ATOM 169 CB ASP 24 17.203 13.239 6.187 1.00 0.00 ATOM 170 CG ASP 24 16.629 13.360 4.782 1.00 0.00 ATOM 171 OD1 ASP 24 15.463 13.651 4.661 1.00 0.00 ATOM 172 OD2 ASP 24 17.390 13.315 3.845 1.00 0.00 ATOM 173 O ASP 24 17.202 12.882 8.924 1.00 0.00 ATOM 174 C ASP 24 17.296 14.041 8.523 1.00 0.00 ATOM 175 N ILE 25 17.637 15.034 9.327 1.00 0.00 ATOM 176 CA ILE 25 17.908 14.805 10.755 1.00 0.00 ATOM 177 CB ILE 25 19.333 15.247 11.138 1.00 0.00 ATOM 178 CG1 ILE 25 20.371 14.395 10.401 1.00 0.00 ATOM 179 CG2 ILE 25 19.532 15.151 12.642 1.00 0.00 ATOM 180 CD1 ILE 25 20.298 12.922 10.731 1.00 0.00 ATOM 181 O ILE 25 16.806 16.820 11.461 1.00 0.00 ATOM 182 C ILE 25 16.850 15.587 11.527 1.00 0.00 ATOM 183 N GLY 26 16.072 14.849 12.305 1.00 0.00 ATOM 184 CA GLY 26 15.132 15.491 13.235 1.00 0.00 ATOM 185 O GLY 26 17.017 15.912 14.745 1.00 0.00 ATOM 186 C GLY 26 15.921 16.272 14.300 1.00 0.00 ATOM 187 N HIS 27 15.278 17.336 14.747 1.00 0.00 ATOM 188 CA HIS 27 15.811 18.205 15.805 1.00 0.00 ATOM 189 CB HIS 27 16.611 19.363 15.203 1.00 0.00 ATOM 190 CG HIS 27 15.778 20.324 14.413 1.00 0.00 ATOM 191 CD2 HIS 27 15.423 20.332 13.106 1.00 0.00 ATOM 192 ND1 HIS 27 15.203 21.445 14.975 1.00 0.00 ATOM 193 CE1 HIS 27 14.530 22.101 14.045 1.00 0.00 ATOM 194 NE2 HIS 27 14.647 21.447 12.904 1.00 0.00 ATOM 195 O HIS 27 13.580 19.045 16.204 1.00 0.00 ATOM 196 C HIS 27 14.676 18.741 16.680 1.00 0.00 ATOM 197 N LEU 28 15.061 18.985 17.911 1.00 0.00 ATOM 198 CA LEU 28 14.221 19.622 18.939 1.00 0.00 ATOM 199 CB LEU 28 13.974 18.650 20.100 1.00 0.00 ATOM 200 CG LEU 28 13.267 17.343 19.718 1.00 0.00 ATOM 201 CD1 LEU 28 13.196 16.416 20.923 1.00 0.00 ATOM 202 CD2 LEU 28 11.874 17.654 19.193 1.00 0.00 ATOM 203 O LEU 28 16.138 20.961 19.504 1.00 0.00 ATOM 204 C LEU 28 14.919 20.891 19.398 1.00 0.00 ATOM 205 N VAL 29 14.076 21.847 19.782 1.00 0.00 ATOM 206 CA VAL 29 14.588 23.138 20.248 1.00 0.00 ATOM 207 CB VAL 29 14.451 24.224 19.165 1.00 0.00 ATOM 208 CG1 VAL 29 15.280 23.866 17.941 1.00 0.00 ATOM 209 CG2 VAL 29 12.991 24.411 18.781 1.00 0.00 ATOM 210 O VAL 29 12.628 23.351 21.646 1.00 0.00 ATOM 211 C VAL 29 13.832 23.553 21.513 1.00 0.00 ATOM 212 N LEU 30 14.599 24.186 22.391 1.00 0.00 ATOM 213 CA LEU 30 14.055 24.848 23.598 1.00 0.00 ATOM 214 CB LEU 30 14.219 23.937 24.821 1.00 0.00 ATOM 215 CG LEU 30 13.442 22.616 24.760 1.00 0.00 ATOM 216 CD1 LEU 30 13.868 21.707 25.905 1.00 0.00 ATOM 217 CD2 LEU 30 11.949 22.901 24.825 1.00 0.00 ATOM 218 O LEU 30 15.860 26.361 23.379 1.00 0.00 ATOM 219 C LEU 30 14.737 26.182 23.829 1.00 0.00 ATOM 220 N ASP 31 14.062 27.049 24.572 1.00 0.00 ATOM 221 CA ASP 31 14.670 28.298 25.062 1.00 0.00 ATOM 222 CB ASP 31 13.756 29.490 24.772 1.00 0.00 ATOM 223 CG ASP 31 14.325 30.838 25.195 1.00 0.00 ATOM 224 OD1 ASP 31 15.392 30.858 25.762 1.00 0.00 ATOM 225 OD2 ASP 31 13.771 31.841 24.812 1.00 0.00 ATOM 226 O ASP 31 14.033 27.702 27.301 1.00 0.00 ATOM 227 C ASP 31 14.923 28.106 26.553 1.00 0.00 ATOM 228 N GLN 32 16.198 28.129 26.877 1.00 0.00 ATOM 229 CA GLN 32 16.584 27.979 28.286 1.00 0.00 ATOM 230 CB GLN 32 18.107 28.031 28.433 1.00 0.00 ATOM 231 CG GLN 32 18.820 26.768 27.980 1.00 0.00 ATOM 232 CD GLN 32 18.329 25.533 28.710 1.00 0.00 ATOM 233 OE1 GLN 32 17.800 24.601 28.096 1.00 0.00 ATOM 234 NE2 GLN 32 18.496 25.519 30.027 1.00 0.00 ATOM 235 O GLN 32 15.573 28.786 30.298 1.00 0.00 ATOM 236 C GLN 32 15.944 29.064 29.155 1.00 0.00 ATOM 237 N ASN 33 15.921 30.264 28.592 1.00 0.00 ATOM 238 CA ASN 33 15.219 31.436 29.143 1.00 0.00 ATOM 239 CB ASN 33 13.717 31.222 29.166 1.00 0.00 ATOM 240 CG ASN 33 12.927 32.495 29.298 1.00 0.00 ATOM 241 ND2 ASN 33 11.804 32.397 29.963 1.00 0.00 ATOM 242 OD1 ASN 33 13.365 33.569 28.868 1.00 0.00 ATOM 243 O ASN 33 14.956 31.979 31.491 1.00 0.00 ATOM 244 C ASN 33 15.710 31.790 30.541 1.00 0.00 ATOM 245 N MET 34 17.020 31.661 30.692 1.00 0.00 ATOM 246 CA MET 34 17.633 31.918 32.001 1.00 0.00 ATOM 247 CB MET 34 17.938 30.600 32.710 1.00 0.00 ATOM 248 CG MET 34 16.705 29.792 33.095 1.00 0.00 ATOM 249 SD MET 34 17.121 28.199 33.832 1.00 0.00 ATOM 250 CE MET 34 17.655 27.287 32.387 1.00 0.00 ATOM 251 O MET 34 19.650 32.492 30.867 1.00 0.00 ATOM 252 C MET 34 18.891 32.744 31.798 1.00 0.00 ATOM 253 N SER 35 18.807 33.948 32.353 1.00 0.00 ATOM 254 CA SER 35 19.931 34.891 32.316 1.00 0.00 ATOM 255 CB SER 35 19.554 36.121 31.515 1.00 0.00 ATOM 256 OG SER 35 18.363 36.702 31.970 1.00 0.00 ATOM 257 O SER 35 20.260 36.400 34.201 1.00 0.00 ATOM 258 C SER 35 20.331 35.259 33.746 1.00 0.00 ATOM 259 N ILE 36 20.623 34.204 34.490 1.00 0.00 ATOM 260 CA ILE 36 20.976 34.315 35.905 1.00 0.00 ATOM 261 CB ILE 36 20.673 33.012 36.666 1.00 0.00 ATOM 262 CG1 ILE 36 19.165 32.754 36.705 1.00 0.00 ATOM 263 CG2 ILE 36 21.242 33.074 38.076 1.00 0.00 ATOM 264 CD1 ILE 36 18.793 31.381 37.216 1.00 0.00 ATOM 265 O ILE 36 22.756 35.411 37.057 1.00 0.00 ATOM 266 C ILE 36 22.447 34.665 36.129 1.00 0.00 ATOM 267 N LEU 37 23.318 34.146 35.266 1.00 0.00 ATOM 268 CA LEU 37 24.775 34.353 35.349 1.00 0.00 ATOM 269 CB LEU 37 25.513 33.218 34.627 1.00 0.00 ATOM 270 CG LEU 37 27.044 33.300 34.676 1.00 0.00 ATOM 271 CD1 LEU 37 27.524 33.236 36.119 1.00 0.00 ATOM 272 CD2 LEU 37 27.641 32.163 33.859 1.00 0.00 ATOM 273 O LEU 37 25.386 35.867 33.561 1.00 0.00 ATOM 274 C LEU 37 25.183 35.716 34.757 1.00 0.00 ATOM 275 N GLU 38 25.355 36.673 35.655 1.00 0.00 ATOM 276 CA GLU 38 25.710 38.060 35.307 1.00 0.00 ATOM 277 CB GLU 38 25.482 38.987 36.503 1.00 0.00 ATOM 278 CG GLU 38 24.019 39.194 36.868 1.00 0.00 ATOM 279 CD GLU 38 23.878 40.058 38.091 1.00 0.00 ATOM 280 OE1 GLU 38 24.881 40.447 38.639 1.00 0.00 ATOM 281 OE2 GLU 38 22.771 40.422 38.412 1.00 0.00 ATOM 282 O GLU 38 27.494 39.245 34.218 1.00 0.00 ATOM 283 C GLU 38 27.156 38.238 34.824 1.00 0.00 ATOM 284 N GLY 39 28.011 37.282 35.218 1.00 0.00 ATOM 285 CA GLY 39 29.441 37.245 34.861 1.00 0.00 ATOM 286 O GLY 39 30.821 37.183 32.886 1.00 0.00 ATOM 287 C GLY 39 29.684 37.109 33.346 1.00 0.00 ATOM 288 N SER 40 28.644 36.680 32.635 1.00 0.00 ATOM 289 CA SER 40 28.728 36.546 31.179 1.00 0.00 ATOM 290 CB SER 40 28.633 35.086 30.783 1.00 0.00 ATOM 291 OG SER 40 29.679 34.325 31.321 1.00 0.00 ATOM 292 O SER 40 26.579 37.671 31.064 1.00 0.00 ATOM 293 C SER 40 27.624 37.365 30.486 1.00 0.00 ATOM 294 N LEU 41 27.883 37.664 29.224 1.00 0.00 ATOM 295 CA LEU 41 26.964 38.481 28.404 1.00 0.00 ATOM 296 CB LEU 41 27.751 39.330 27.404 1.00 0.00 ATOM 297 CG LEU 41 28.670 40.366 28.058 1.00 0.00 ATOM 298 CD1 LEU 41 29.454 41.112 26.983 1.00 0.00 ATOM 299 CD2 LEU 41 27.857 41.357 28.903 1.00 0.00 ATOM 300 O LEU 41 24.869 38.244 27.253 1.00 0.00 ATOM 301 C LEU 41 25.859 37.676 27.707 1.00 0.00 ATOM 302 N GLY 42 26.048 36.357 27.716 1.00 0.00 ATOM 303 CA GLY 42 25.145 35.385 27.065 1.00 0.00 ATOM 304 O GLY 42 23.977 35.285 29.166 1.00 0.00 ATOM 305 C GLY 42 23.935 35.128 27.958 1.00 0.00 ATOM 306 N VAL 43 22.856 34.726 27.315 1.00 0.00 ATOM 307 CA VAL 43 21.688 34.199 28.047 1.00 0.00 ATOM 308 CB VAL 43 20.391 34.922 27.638 1.00 0.00 ATOM 309 CG1 VAL 43 20.492 36.409 27.943 1.00 0.00 ATOM 310 CG2 VAL 43 20.101 34.701 26.162 1.00 0.00 ATOM 311 O VAL 43 22.522 32.226 27.068 1.00 0.00 ATOM 312 C VAL 43 21.622 32.727 27.741 1.00 0.00 ATOM 313 N ILE 44 20.742 31.992 28.385 1.00 0.00 ATOM 314 CA ILE 44 20.560 30.638 27.878 1.00 0.00 ATOM 315 CB ILE 44 21.080 29.589 28.906 1.00 0.00 ATOM 316 CG1 ILE 44 20.789 29.845 30.398 1.00 0.00 ATOM 317 CG2 ILE 44 22.601 29.658 28.891 1.00 0.00 ATOM 318 CD1 ILE 44 21.248 28.777 31.411 1.00 0.00 ATOM 319 O ILE 44 18.242 30.635 27.116 1.00 0.00 ATOM 320 C ILE 44 19.429 30.725 26.805 1.00 0.00 ATOM 321 N PRO 45 19.803 31.225 25.607 1.00 0.00 ATOM 322 CA PRO 45 18.897 31.632 24.531 1.00 0.00 ATOM 323 CB PRO 45 19.767 32.410 23.524 1.00 0.00 ATOM 324 CG PRO 45 21.193 31.938 23.755 1.00 0.00 ATOM 325 CD PRO 45 21.104 31.054 24.994 1.00 0.00 ATOM 326 O PRO 45 17.586 29.646 24.727 1.00 0.00 ATOM 327 C PRO 45 18.303 30.334 23.998 1.00 0.00 ATOM 328 N ARG 46 18.879 29.791 22.942 1.00 0.00 ATOM 329 CA ARG 46 18.312 28.551 22.471 1.00 0.00 ATOM 330 CB ARG 46 17.619 28.711 21.126 1.00 0.00 ATOM 331 CG ARG 46 16.668 29.893 21.032 1.00 0.00 ATOM 332 CD ARG 46 15.357 29.679 21.697 1.00 0.00 ATOM 333 NE ARG 46 14.604 28.543 21.190 1.00 0.00 ATOM 334 CZ ARG 46 13.790 28.582 20.117 1.00 0.00 ATOM 335 NH1 ARG 46 13.590 29.702 19.459 1.00 0.00 ATOM 336 NH2 ARG 46 13.176 27.468 19.759 1.00 0.00 ATOM 337 O ARG 46 20.437 27.469 22.485 1.00 0.00 ATOM 338 C ARG 46 19.221 27.345 22.371 1.00 0.00 ATOM 339 N ARG 47 18.556 26.228 22.634 1.00 0.00 ATOM 340 CA ARG 47 19.197 24.917 22.669 1.00 0.00 ATOM 341 CB ARG 47 19.171 24.302 24.060 1.00 0.00 ATOM 342 CG ARG 47 19.560 22.833 24.118 1.00 0.00 ATOM 343 CD ARG 47 19.309 22.184 25.430 1.00 0.00 ATOM 344 NE ARG 47 20.171 22.646 26.506 1.00 0.00 ATOM 345 CZ ARG 47 19.938 22.436 27.816 1.00 0.00 ATOM 346 NH1 ARG 47 18.855 21.810 28.220 1.00 0.00 ATOM 347 NH2 ARG 47 20.816 22.901 28.688 1.00 0.00 ATOM 348 O ARG 47 17.359 23.882 21.548 1.00 0.00 ATOM 349 C ARG 47 18.577 23.995 21.627 1.00 0.00 ATOM 350 N VAL 48 19.471 23.302 20.924 1.00 0.00 ATOM 351 CA VAL 48 19.117 22.278 19.924 1.00 0.00 ATOM 352 CB VAL 48 19.772 22.568 18.561 1.00 0.00 ATOM 353 CG1 VAL 48 21.255 22.859 18.734 1.00 0.00 ATOM 354 CG2 VAL 48 19.568 21.398 17.611 1.00 0.00 ATOM 355 O VAL 48 20.718 20.759 20.800 1.00 0.00 ATOM 356 C VAL 48 19.554 20.922 20.446 1.00 0.00 ATOM 357 N LEU 49 18.657 19.984 20.260 1.00 0.00 ATOM 358 CA LEU 49 18.916 18.583 20.567 1.00 0.00 ATOM 359 CB LEU 49 18.191 18.179 21.857 1.00 0.00 ATOM 360 CG LEU 49 18.484 19.066 23.074 1.00 0.00 ATOM 361 CD1 LEU 49 17.381 20.101 23.243 1.00 0.00 ATOM 362 CD2 LEU 49 18.605 18.198 24.318 1.00 0.00 ATOM 363 O LEU 49 17.612 18.068 18.624 1.00 0.00 ATOM 364 C LEU 49 18.486 17.695 19.406 1.00 0.00 ATOM 365 N VAL 50 19.045 16.499 19.407 1.00 0.00 ATOM 366 CA VAL 50 18.672 15.432 18.460 1.00 0.00 ATOM 367 CB VAL 50 19.764 15.213 17.397 1.00 0.00 ATOM 368 CG1 VAL 50 20.065 16.513 16.666 1.00 0.00 ATOM 369 CG2 VAL 50 21.028 14.659 18.038 1.00 0.00 ATOM 370 O VAL 50 18.909 13.953 20.357 1.00 0.00 ATOM 371 C VAL 50 18.418 14.125 19.228 1.00 0.00 ATOM 372 N HIS 51 17.706 13.212 18.589 1.00 0.00 ATOM 373 CA HIS 51 17.681 11.810 19.068 1.00 0.00 ATOM 374 CB HIS 51 16.816 10.940 18.150 1.00 0.00 ATOM 375 CG HIS 51 16.531 9.579 18.704 1.00 0.00 ATOM 376 CD2 HIS 51 15.430 9.074 19.309 1.00 0.00 ATOM 377 ND1 HIS 51 17.452 8.552 18.664 1.00 0.00 ATOM 378 CE1 HIS 51 16.929 7.475 19.223 1.00 0.00 ATOM 379 NE2 HIS 51 15.704 7.765 19.622 1.00 0.00 ATOM 380 O HIS 51 19.987 11.722 18.336 1.00 0.00 ATOM 381 C HIS 51 19.130 11.323 19.123 1.00 0.00 ATOM 382 N GLU 52 19.447 10.598 20.189 1.00 0.00 ATOM 383 CA GLU 52 20.847 10.204 20.448 1.00 0.00 ATOM 384 CB GLU 52 20.903 9.356 21.713 1.00 0.00 ATOM 385 CG GLU 52 22.345 8.927 22.019 1.00 0.00 ATOM 386 CD GLU 52 22.461 8.075 23.270 1.00 0.00 ATOM 387 OE1 GLU 52 21.441 7.818 23.929 1.00 0.00 ATOM 388 OE2 GLU 52 23.629 7.881 23.645 1.00 0.00 ATOM 389 O GLU 52 22.618 9.839 18.894 1.00 0.00 ATOM 390 C GLU 52 21.497 9.461 19.273 1.00 0.00 ATOM 391 N ASP 53 20.709 8.610 18.626 1.00 0.00 ATOM 392 CA ASP 53 21.173 7.801 17.490 1.00 0.00 ATOM 393 CB ASP 53 20.087 6.813 17.056 1.00 0.00 ATOM 394 CG ASP 53 19.872 5.652 18.018 1.00 0.00 ATOM 395 OD1 ASP 53 20.688 5.469 18.890 1.00 0.00 ATOM 396 OD2 ASP 53 18.821 5.057 17.976 1.00 0.00 ATOM 397 O ASP 53 22.563 8.313 15.595 1.00 0.00 ATOM 398 C ASP 53 21.594 8.646 16.275 1.00 0.00 ATOM 399 N ASP 54 21.115 9.881 16.257 1.00 0.00 ATOM 400 CA ASP 54 21.383 10.799 15.147 1.00 0.00 ATOM 401 CB ASP 54 20.116 11.569 14.769 1.00 0.00 ATOM 402 CG ASP 54 18.977 10.694 14.261 1.00 0.00 ATOM 403 OD1 ASP 54 19.221 9.866 13.416 1.00 0.00 ATOM 404 OD2 ASP 54 17.913 10.751 14.829 1.00 0.00 ATOM 405 O ASP 54 22.864 12.593 14.572 1.00 0.00 ATOM 406 C ASP 54 22.502 11.802 15.447 1.00 0.00 ATOM 407 N LEU 55 23.112 11.699 16.621 1.00 0.00 ATOM 408 CA LEU 55 24.098 12.707 17.061 1.00 0.00 ATOM 409 CB LEU 55 24.563 12.404 18.491 1.00 0.00 ATOM 410 CG LEU 55 25.602 13.379 19.060 1.00 0.00 ATOM 411 CD1 LEU 55 25.018 14.783 19.125 1.00 0.00 ATOM 412 CD2 LEU 55 26.036 12.910 20.442 1.00 0.00 ATOM 413 O LEU 55 25.721 13.900 15.790 1.00 0.00 ATOM 414 C LEU 55 25.319 12.801 16.142 1.00 0.00 ATOM 415 N ALA 56 25.920 11.663 15.801 1.00 0.00 ATOM 416 CA ALA 56 27.120 11.626 14.931 1.00 0.00 ATOM 417 CB ALA 56 27.637 10.206 14.762 1.00 0.00 ATOM 418 O ALA 56 27.614 13.072 13.085 1.00 0.00 ATOM 419 C ALA 56 26.853 12.212 13.539 1.00 0.00 ATOM 420 N GLY 57 25.752 11.779 12.935 1.00 0.00 ATOM 421 CA GLY 57 25.282 12.269 11.628 1.00 0.00 ATOM 422 O GLY 57 25.483 14.551 10.904 1.00 0.00 ATOM 423 C GLY 57 24.951 13.765 11.680 1.00 0.00 ATOM 424 N ALA 58 24.315 14.158 12.780 1.00 0.00 ATOM 425 CA ALA 58 23.962 15.570 13.055 1.00 0.00 ATOM 426 CB ALA 58 23.094 15.676 14.316 1.00 0.00 ATOM 427 O ALA 58 25.291 17.526 12.603 1.00 0.00 ATOM 428 C ALA 58 25.208 16.454 13.194 1.00 0.00 ATOM 429 N ARG 59 26.209 15.897 13.878 1.00 0.00 ATOM 430 CA ARG 59 27.458 16.640 14.155 1.00 0.00 ATOM 431 CB ARG 59 28.356 15.907 15.140 1.00 0.00 ATOM 432 CG ARG 59 29.628 16.647 15.520 1.00 0.00 ATOM 433 CD ARG 59 30.523 15.896 16.437 1.00 0.00 ATOM 434 NE ARG 59 31.096 14.688 15.865 1.00 0.00 ATOM 435 CZ ARG 59 32.136 14.665 15.007 1.00 0.00 ATOM 436 NH1 ARG 59 32.695 15.780 14.592 1.00 0.00 ATOM 437 NH2 ARG 59 32.563 13.491 14.577 1.00 0.00 ATOM 438 O ARG 59 28.581 18.108 12.662 1.00 0.00 ATOM 439 C ARG 59 28.194 16.970 12.880 1.00 0.00 ATOM 440 N ARG 60 28.292 15.945 12.048 1.00 0.00 ATOM 441 CA ARG 60 29.038 16.058 10.780 1.00 0.00 ATOM 442 CB ARG 60 29.232 14.708 10.106 1.00 0.00 ATOM 443 CG ARG 60 30.222 13.783 10.797 1.00 0.00 ATOM 444 CD ARG 60 30.615 12.597 9.994 1.00 0.00 ATOM 445 NE ARG 60 29.531 11.667 9.724 1.00 0.00 ATOM 446 CZ ARG 60 29.161 10.664 10.545 1.00 0.00 ATOM 447 NH1 ARG 60 29.804 10.435 11.667 1.00 0.00 ATOM 448 NH2 ARG 60 28.146 9.901 10.179 1.00 0.00 ATOM 449 O ARG 60 29.100 17.878 9.252 1.00 0.00 ATOM 450 C ARG 60 28.400 17.052 9.829 1.00 0.00 ATOM 451 N LEU 61 27.072 17.030 9.769 1.00 0.00 ATOM 452 CA LEU 61 26.318 17.947 8.900 1.00 0.00 ATOM 453 CB LEU 61 24.815 17.661 9.006 1.00 0.00 ATOM 454 CG LEU 61 24.354 16.343 8.371 1.00 0.00 ATOM 455 CD1 LEU 61 22.893 16.081 8.713 1.00 0.00 ATOM 456 CD2 LEU 61 24.552 16.408 6.865 1.00 0.00 ATOM 457 O LEU 61 26.974 20.199 8.379 1.00 0.00 ATOM 458 C LEU 61 26.602 19.414 9.246 1.00 0.00 ATOM 459 N LEU 62 26.452 19.734 10.530 1.00 0.00 ATOM 460 CA LEU 62 26.671 21.106 10.992 1.00 0.00 ATOM 461 CB LEU 62 26.322 21.289 12.475 1.00 0.00 ATOM 462 CG LEU 62 24.977 20.737 12.971 1.00 0.00 ATOM 463 CD1 LEU 62 24.681 21.223 14.386 1.00 0.00 ATOM 464 CD2 LEU 62 23.779 21.073 12.084 1.00 0.00 ATOM 465 O LEU 62 28.356 22.651 10.275 1.00 0.00 ATOM 466 C LEU 62 28.120 21.546 10.769 1.00 0.00 ATOM 467 N THR 63 29.053 20.625 10.995 1.00 0.00 ATOM 468 CA THR 63 30.492 20.872 10.771 1.00 0.00 ATOM 469 CB THR 63 31.346 19.658 11.183 1.00 0.00 ATOM 470 CG2 THR 63 32.816 19.916 10.891 1.00 0.00 ATOM 471 OG1 THR 63 31.178 19.406 12.584 1.00 0.00 ATOM 472 O THR 63 31.300 22.271 9.003 1.00 0.00 ATOM 473 C THR 63 30.763 21.206 9.298 1.00 0.00 ATOM 474 N ASP 64 30.239 20.368 8.413 1.00 0.00 ATOM 475 CA ASP 64 30.434 20.555 6.968 1.00 0.00 ATOM 476 CB ASP 64 29.959 19.320 6.198 1.00 0.00 ATOM 477 CG ASP 64 30.873 18.109 6.326 1.00 0.00 ATOM 478 OD1 ASP 64 31.973 18.267 6.797 1.00 0.00 ATOM 479 OD2 ASP 64 30.411 17.016 6.099 1.00 0.00 ATOM 480 O ASP 64 30.224 22.468 5.532 1.00 0.00 ATOM 481 C ASP 64 29.719 21.787 6.430 1.00 0.00 ATOM 482 N ALA 65 28.614 22.132 7.073 1.00 0.00 ATOM 483 CA ALA 65 27.884 23.326 6.660 1.00 0.00 ATOM 484 CB ALA 65 26.410 23.152 6.933 1.00 0.00 ATOM 485 O ALA 65 28.073 25.698 6.800 1.00 0.00 ATOM 486 C ALA 65 28.404 24.612 7.262 1.00 0.00 ATOM 487 N GLY 66 29.409 24.438 8.109 1.00 0.00 ATOM 488 CA GLY 66 30.100 25.552 8.768 1.00 0.00 ATOM 489 O GLY 66 29.556 27.363 10.225 1.00 0.00 ATOM 490 C GLY 66 29.221 26.270 9.795 1.00 0.00 ATOM 491 N LEU 67 28.322 25.503 10.399 1.00 0.00 ATOM 492 CA LEU 67 27.492 26.035 11.496 1.00 0.00 ATOM 493 CB LEU 67 26.393 25.089 11.885 1.00 0.00 ATOM 494 CG LEU 67 25.402 25.053 10.746 1.00 0.00 ATOM 495 CD1 LEU 67 24.373 24.076 11.199 1.00 0.00 ATOM 496 CD2 LEU 67 24.646 26.360 10.526 1.00 0.00 ATOM 497 O LEU 67 28.034 27.370 13.421 1.00 0.00 ATOM 498 C LEU 67 28.255 26.353 12.768 1.00 0.00 ATOM 499 N ALA 68 29.160 25.442 13.099 1.00 0.00 ATOM 500 CA ALA 68 30.018 25.625 14.277 1.00 0.00 ATOM 501 CB ALA 68 30.863 24.371 14.467 1.00 0.00 ATOM 502 O ALA 68 30.997 27.660 15.105 1.00 0.00 ATOM 503 C ALA 68 30.865 26.899 14.148 1.00 0.00 ATOM 504 N HIS 69 31.326 27.164 12.923 1.00 0.00 ATOM 505 CA HIS 69 32.053 28.409 12.622 1.00 0.00 ATOM 506 CB HIS 69 32.642 28.364 11.209 1.00 0.00 ATOM 507 CG HIS 69 33.380 29.609 10.824 1.00 0.00 ATOM 508 CD2 HIS 69 33.062 30.603 9.963 1.00 0.00 ATOM 509 ND1 HIS 69 34.609 29.938 11.356 1.00 0.00 ATOM 510 CE1 HIS 69 35.017 31.083 10.835 1.00 0.00 ATOM 511 NE2 HIS 69 34.096 31.507 9.989 1.00 0.00 ATOM 512 O HIS 69 31.642 30.636 13.319 1.00 0.00 ATOM 513 C HIS 69 31.186 29.648 12.757 1.00 0.00 ATOM 514 N GLU 70 29.987 29.556 12.176 1.00 0.00 ATOM 515 CA GLU 70 29.033 30.673 12.225 1.00 0.00 ATOM 516 CB GLU 70 27.780 30.344 11.410 1.00 0.00 ATOM 517 CG GLU 70 27.998 30.317 9.904 1.00 0.00 ATOM 518 CD GLU 70 26.758 29.874 9.179 1.00 0.00 ATOM 519 OE1 GLU 70 25.801 29.535 9.833 1.00 0.00 ATOM 520 OE2 GLU 70 26.726 29.980 7.977 1.00 0.00 ATOM 521 O GLU 70 28.718 32.104 14.115 1.00 0.00 ATOM 522 C GLU 70 28.677 30.975 13.683 1.00 0.00 ATOM 523 N LEU 71 28.555 29.933 14.506 1.00 0.00 ATOM 524 CA LEU 71 28.292 30.135 15.935 1.00 0.00 ATOM 525 CB LEU 71 28.097 28.784 16.634 1.00 0.00 ATOM 526 CG LEU 71 28.044 28.843 18.166 1.00 0.00 ATOM 527 CD1 LEU 71 26.980 29.836 18.614 1.00 0.00 ATOM 528 CD2 LEU 71 27.750 27.456 18.719 1.00 0.00 ATOM 529 O LEU 71 29.232 31.872 17.239 1.00 0.00 ATOM 530 C LEU 71 29.439 30.913 16.537 1.00 0.00 ATOM 531 N ARG 72 30.666 30.481 16.347 1.00 0.00 ATOM 532 CA ARG 72 31.789 31.182 16.992 1.00 0.00 ATOM 533 CB ARG 72 33.098 30.420 16.851 1.00 0.00 ATOM 534 CG ARG 72 33.188 29.144 17.672 1.00 0.00 ATOM 535 CD ARG 72 34.439 28.369 17.465 1.00 0.00 ATOM 536 NE ARG 72 34.520 27.139 18.236 1.00 0.00 ATOM 537 CZ ARG 72 35.509 26.231 18.126 1.00 0.00 ATOM 538 NH1 ARG 72 36.479 26.389 17.254 1.00 0.00 ATOM 539 NH2 ARG 72 35.463 25.161 18.902 1.00 0.00 ATOM 540 O ARG 72 32.532 33.448 17.280 1.00 0.00 ATOM 541 C ARG 72 31.996 32.628 16.536 1.00 0.00 ATOM 542 N SER 73 31.679 32.871 15.274 1.00 0.00 ATOM 543 CA SER 73 31.751 34.240 14.750 1.00 0.00 ATOM 544 CB SER 73 31.392 34.254 13.277 1.00 0.00 ATOM 545 OG SER 73 32.318 33.544 12.502 1.00 0.00 ATOM 546 O SER 73 31.356 36.335 15.736 1.00 0.00 ATOM 547 C SER 73 30.860 35.246 15.479 1.00 0.00 ATOM 548 N ASP 74 29.761 34.747 16.013 1.00 0.00 ATOM 549 CA ASP 74 28.781 35.533 16.780 1.00 0.00 ATOM 550 CB ASP 74 27.703 36.099 15.853 1.00 0.00 ATOM 551 CG ASP 74 26.841 35.045 15.172 1.00 0.00 ATOM 552 OD1 ASP 74 26.921 33.903 15.558 1.00 0.00 ATOM 553 OD2 ASP 74 26.001 35.411 14.385 1.00 0.00 ATOM 554 O ASP 74 28.864 33.852 18.438 1.00 0.00 ATOM 555 C ASP 74 28.138 34.667 17.890 1.00 0.00 ATOM 556 N ASP 75 27.157 35.196 18.597 1.00 0.00 ATOM 557 CA ASP 75 26.482 34.357 19.618 1.00 0.00 ATOM 558 CB ASP 75 25.497 35.196 20.436 1.00 0.00 ATOM 559 CG ASP 75 26.154 36.151 21.425 1.00 0.00 ATOM 560 OD1 ASP 75 27.341 36.047 21.621 1.00 0.00 ATOM 561 OD2 ASP 75 25.500 37.071 21.855 1.00 0.00 ATOM 562 O ASP 75 25.754 32.890 17.830 1.00 0.00 ATOM 563 C ASP 75 25.715 33.130 19.053 1.00 0.00 TER END