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 2 Sun Jul 16 10:33:46 2006 MODEL 2 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 20.551 8.732 24.409 1.00 0.00 ATOM 2 CA MET 1 20.162 10.081 23.949 1.00 0.00 ATOM 3 CB MET 1 18.831 10.498 24.575 1.00 0.00 ATOM 4 CG MET 1 17.635 9.700 24.083 1.00 0.00 ATOM 5 SD MET 1 16.097 10.176 24.894 1.00 0.00 ATOM 6 CE MET 1 15.749 11.730 24.072 1.00 0.00 ATOM 7 O MET 1 22.116 10.789 25.138 1.00 0.00 ATOM 8 C MET 1 21.306 11.056 24.258 1.00 0.00 ATOM 9 N ARG 2 21.297 12.099 23.477 1.00 0.00 ATOM 10 CA ARG 2 22.307 13.140 23.617 1.00 0.00 ATOM 11 CB ARG 2 23.382 12.977 22.538 1.00 0.00 ATOM 12 CG ARG 2 24.282 11.786 22.926 1.00 0.00 ATOM 13 CD ARG 2 25.292 11.465 21.809 1.00 0.00 ATOM 14 NE ARG 2 25.890 10.165 22.160 1.00 0.00 ATOM 15 CZ ARG 2 26.620 9.386 21.332 1.00 0.00 ATOM 16 NH1 ARG 2 26.895 9.778 20.107 1.00 0.00 ATOM 17 NH2 ARG 2 27.058 8.216 21.816 1.00 0.00 ATOM 18 O ARG 2 20.639 14.659 22.849 1.00 0.00 ATOM 19 C ARG 2 21.641 14.499 23.540 1.00 0.00 ATOM 20 N GLU 3 22.164 15.463 24.296 1.00 0.00 ATOM 21 CA GLU 3 21.654 16.835 24.248 1.00 0.00 ATOM 22 CB GLU 3 21.459 17.352 25.675 1.00 0.00 ATOM 23 CG GLU 3 20.376 16.625 26.456 1.00 0.00 ATOM 24 CD GLU 3 20.155 17.215 27.835 1.00 0.00 ATOM 25 OE1 GLU 3 20.844 18.199 28.176 1.00 0.00 ATOM 26 OE2 GLU 3 19.294 16.694 28.573 1.00 0.00 ATOM 27 O GLU 3 23.907 17.486 23.856 1.00 0.00 ATOM 28 C GLU 3 22.746 17.544 23.468 1.00 0.00 ATOM 29 N LEU 4 22.396 18.083 22.306 1.00 0.00 ATOM 30 CA LEU 4 23.360 18.784 21.441 1.00 0.00 ATOM 31 CB LEU 4 23.248 18.334 19.983 1.00 0.00 ATOM 32 CG LEU 4 24.148 19.055 18.979 1.00 0.00 ATOM 33 CD1 LEU 4 25.613 18.771 19.270 1.00 0.00 ATOM 34 CD2 LEU 4 23.848 18.595 17.560 1.00 0.00 ATOM 35 O LEU 4 21.987 20.732 21.126 1.00 0.00 ATOM 36 C LEU 4 23.091 20.276 21.476 1.00 0.00 ATOM 37 N LEU 5 24.086 21.026 21.944 1.00 0.00 ATOM 38 CA LEU 5 23.975 22.474 22.031 1.00 0.00 ATOM 39 CB LEU 5 24.563 22.989 23.365 1.00 0.00 ATOM 40 CG LEU 5 23.874 22.449 24.618 1.00 0.00 ATOM 41 CD1 LEU 5 24.425 23.173 25.867 1.00 0.00 ATOM 42 CD2 LEU 5 22.411 22.596 24.534 1.00 0.00 ATOM 43 O LEU 5 25.982 22.796 20.782 1.00 0.00 ATOM 44 C LEU 5 24.802 23.128 20.944 1.00 0.00 ATOM 45 N ARG 6 24.200 24.069 20.229 1.00 0.00 ATOM 46 CA ARG 6 24.882 24.774 19.146 1.00 0.00 ATOM 47 CB ARG 6 24.208 24.482 17.805 1.00 0.00 ATOM 48 CG ARG 6 24.280 23.025 17.378 1.00 0.00 ATOM 49 CD ARG 6 23.505 22.787 16.092 1.00 0.00 ATOM 50 NE ARG 6 22.073 23.021 16.266 1.00 0.00 ATOM 51 CZ ARG 6 21.227 22.131 16.772 1.00 0.00 ATOM 52 NH1 ARG 6 19.941 22.433 16.892 1.00 0.00 ATOM 53 NH2 ARG 6 21.668 20.942 17.159 1.00 0.00 ATOM 54 O ARG 6 23.808 26.899 19.516 1.00 0.00 ATOM 55 C ARG 6 24.870 26.307 19.363 1.00 0.00 ATOM 56 N THR 7 26.050 26.924 19.433 1.00 0.00 ATOM 57 CA THR 7 26.164 28.372 19.638 1.00 0.00 ATOM 58 CB THR 7 27.239 28.718 20.686 1.00 0.00 ATOM 59 CG2 THR 7 27.350 30.225 20.858 1.00 0.00 ATOM 60 OG1 THR 7 26.886 28.133 21.946 1.00 0.00 ATOM 61 O THR 7 27.656 28.662 17.812 1.00 0.00 ATOM 62 C THR 7 26.564 28.947 18.291 1.00 0.00 ATOM 63 N ASN 8 25.727 29.780 17.685 1.00 0.00 ATOM 64 CA ASN 8 26.053 30.296 16.362 1.00 0.00 ATOM 65 CB ASN 8 25.166 29.603 15.325 1.00 0.00 ATOM 66 CG ASN 8 23.688 29.830 15.578 1.00 0.00 ATOM 67 ND2 ASN 8 22.920 28.748 15.601 1.00 0.00 ATOM 68 OD1 ASN 8 23.246 30.966 15.748 1.00 0.00 ATOM 69 O ASN 8 25.373 32.439 17.157 1.00 0.00 ATOM 70 C ASN 8 25.844 31.814 16.213 1.00 0.00 ATOM 71 N ASP 9 26.201 32.300 14.936 1.00 0.00 ATOM 72 CA ASP 9 25.783 33.658 14.632 1.00 0.00 ATOM 73 CB ASP 9 26.472 34.032 13.318 1.00 0.00 ATOM 74 CG ASP 9 26.319 35.500 12.978 1.00 0.00 ATOM 75 OD1 ASP 9 25.616 36.213 13.724 1.00 0.00 ATOM 76 OD2 ASP 9 26.902 35.940 11.963 1.00 0.00 ATOM 77 O ASP 9 23.675 32.844 13.853 1.00 0.00 ATOM 78 C ASP 9 24.262 33.711 14.510 1.00 0.00 ATOM 79 N ALA 10 23.585 34.695 15.167 1.00 0.00 ATOM 80 CA ALA 10 22.127 34.833 15.136 1.00 0.00 ATOM 81 CB ALA 10 21.748 36.154 15.878 1.00 0.00 ATOM 82 O ALA 10 20.423 34.219 13.560 1.00 0.00 ATOM 83 C ALA 10 21.510 34.776 13.739 1.00 0.00 ATOM 84 N VAL 11 22.149 35.269 12.720 1.00 0.00 ATOM 85 CA VAL 11 21.637 35.210 11.357 1.00 0.00 ATOM 86 CB VAL 11 22.414 36.154 10.419 1.00 0.00 ATOM 87 CG1 VAL 11 22.289 37.594 10.892 1.00 0.00 ATOM 88 CG2 VAL 11 23.889 35.784 10.395 1.00 0.00 ATOM 89 O VAL 11 20.924 33.522 9.825 1.00 0.00 ATOM 90 C VAL 11 21.652 33.811 10.779 1.00 0.00 ATOM 91 N LEU 12 22.455 32.925 11.338 1.00 0.00 ATOM 92 CA LEU 12 22.488 31.582 10.796 1.00 0.00 ATOM 93 CB LEU 12 23.861 30.992 11.120 1.00 0.00 ATOM 94 CG LEU 12 25.070 31.724 10.533 1.00 0.00 ATOM 95 CD1 LEU 12 26.366 31.094 11.015 1.00 0.00 ATOM 96 CD2 LEU 12 25.049 31.665 9.013 1.00 0.00 ATOM 97 O LEU 12 21.368 29.452 11.000 1.00 0.00 ATOM 98 C LEU 12 21.431 30.631 11.367 1.00 0.00 ATOM 99 N LEU 13 20.583 31.158 12.234 1.00 0.00 ATOM 100 CA LEU 13 19.530 30.382 12.877 1.00 0.00 ATOM 101 CB LEU 13 18.673 31.258 13.805 1.00 0.00 ATOM 102 CG LEU 13 17.491 30.580 14.497 1.00 0.00 ATOM 103 CD1 LEU 13 17.941 29.465 15.447 1.00 0.00 ATOM 104 CD2 LEU 13 16.656 31.609 15.257 1.00 0.00 ATOM 105 O LEU 13 18.365 28.482 11.982 1.00 0.00 ATOM 106 C LEU 13 18.610 29.684 11.869 1.00 0.00 ATOM 107 N SER 14 18.088 30.416 10.889 1.00 0.00 ATOM 108 CA SER 14 17.190 29.775 9.929 1.00 0.00 ATOM 109 CB SER 14 16.658 30.801 8.927 1.00 0.00 ATOM 110 OG SER 14 15.819 31.749 9.562 1.00 0.00 ATOM 111 O SER 14 17.358 27.610 8.919 1.00 0.00 ATOM 112 C SER 14 17.930 28.657 9.205 1.00 0.00 ATOM 113 N ALA 15 19.207 28.886 8.916 1.00 0.00 ATOM 114 CA ALA 15 20.019 27.891 8.231 1.00 0.00 ATOM 115 CB ALA 15 21.393 28.407 7.827 1.00 0.00 ATOM 116 O ALA 15 19.921 25.505 8.551 1.00 0.00 ATOM 117 C ALA 15 20.176 26.610 9.050 1.00 0.00 ATOM 118 N VAL 16 20.551 26.750 10.316 1.00 0.00 ATOM 119 CA VAL 16 20.711 25.575 11.163 1.00 0.00 ATOM 120 CB VAL 16 21.298 25.880 12.516 1.00 0.00 ATOM 121 CG1 VAL 16 21.394 24.615 13.357 1.00 0.00 ATOM 122 CG2 VAL 16 22.688 26.480 12.323 1.00 0.00 ATOM 123 O VAL 16 19.293 23.627 11.352 1.00 0.00 ATOM 124 C VAL 16 19.385 24.847 11.362 1.00 0.00 ATOM 125 N GLY 17 18.305 25.632 11.586 1.00 0.00 ATOM 126 CA GLY 17 16.998 25.024 11.842 1.00 0.00 ATOM 127 O GLY 17 16.003 23.115 10.730 1.00 0.00 ATOM 128 C GLY 17 16.485 24.257 10.617 1.00 0.00 ATOM 129 N ALA 18 16.603 24.857 9.447 1.00 0.00 ATOM 130 CA ALA 18 16.178 24.217 8.184 1.00 0.00 ATOM 131 CB ALA 18 16.294 25.193 6.973 1.00 0.00 ATOM 132 O ALA 18 16.498 21.930 7.486 1.00 0.00 ATOM 133 C ALA 18 17.019 22.971 7.922 1.00 0.00 ATOM 134 N LEU 19 18.315 23.066 8.194 1.00 0.00 ATOM 135 CA LEU 19 19.204 21.920 7.997 1.00 0.00 ATOM 136 CB LEU 19 20.650 22.303 8.316 1.00 0.00 ATOM 137 CG LEU 19 21.694 21.193 8.170 1.00 0.00 ATOM 138 CD1 LEU 19 21.753 20.698 6.733 1.00 0.00 ATOM 139 CD2 LEU 19 23.075 21.698 8.558 1.00 0.00 ATOM 140 O LEU 19 18.604 19.637 8.460 1.00 0.00 ATOM 141 C LEU 19 18.774 20.760 8.914 1.00 0.00 ATOM 142 N LEU 20 18.579 21.036 10.200 1.00 0.00 ATOM 143 CA LEU 20 18.164 19.991 11.117 1.00 0.00 ATOM 144 CB LEU 20 18.090 20.419 12.544 1.00 0.00 ATOM 145 CG LEU 20 19.472 20.599 13.190 1.00 0.00 ATOM 146 CD1 LEU 20 19.378 21.421 14.472 1.00 0.00 ATOM 147 CD2 LEU 20 20.152 19.261 13.464 1.00 0.00 ATOM 148 O LEU 20 16.568 18.250 10.739 1.00 0.00 ATOM 149 C LEU 20 16.815 19.451 10.698 1.00 0.00 ATOM 150 N ASP 21 15.909 20.344 10.293 1.00 0.00 ATOM 151 CA ASP 21 14.578 19.949 9.844 1.00 0.00 ATOM 152 CB ASP 21 13.762 21.184 9.457 1.00 0.00 ATOM 153 CG ASP 21 13.326 21.996 10.662 1.00 0.00 ATOM 154 OD1 ASP 21 13.450 21.486 11.797 1.00 0.00 ATOM 155 OD2 ASP 21 12.861 23.138 10.472 1.00 0.00 ATOM 156 O ASP 21 13.913 18.090 8.510 1.00 0.00 ATOM 157 C ASP 21 14.699 19.028 8.640 1.00 0.00 ATOM 158 N GLY 22 15.682 19.268 7.772 1.00 0.00 ATOM 159 CA GLY 22 15.867 18.415 6.603 1.00 0.00 ATOM 160 O GLY 22 16.038 16.056 6.181 1.00 0.00 ATOM 161 C GLY 22 16.267 17.006 6.984 1.00 0.00 ATOM 162 N ALA 23 16.887 16.794 8.212 1.00 0.00 ATOM 163 CA ALA 23 17.271 15.453 8.657 1.00 0.00 ATOM 164 CB ALA 23 18.651 15.455 9.296 1.00 0.00 ATOM 165 O ALA 23 16.631 14.154 10.572 1.00 0.00 ATOM 166 C ALA 23 16.271 14.945 9.706 1.00 0.00 ATOM 167 N ASP 24 15.035 15.441 9.660 1.00 0.00 ATOM 168 CA ASP 24 14.003 15.005 10.594 1.00 0.00 ATOM 169 CB ASP 24 14.046 13.486 10.766 1.00 0.00 ATOM 170 CG ASP 24 13.780 12.743 9.472 1.00 0.00 ATOM 171 OD1 ASP 24 12.834 13.126 8.751 1.00 0.00 ATOM 172 OD2 ASP 24 14.517 11.780 9.178 1.00 0.00 ATOM 173 O ASP 24 13.717 14.788 12.926 1.00 0.00 ATOM 174 C ASP 24 14.168 15.465 12.029 1.00 0.00 ATOM 175 N ILE 25 14.840 16.569 12.253 1.00 0.00 ATOM 176 CA ILE 25 14.952 17.079 13.620 1.00 0.00 ATOM 177 CB ILE 25 16.409 17.224 14.099 1.00 0.00 ATOM 178 CG1 ILE 25 17.093 15.857 14.146 1.00 0.00 ATOM 179 CG2 ILE 25 16.452 17.833 15.492 1.00 0.00 ATOM 180 CD1 ILE 25 18.582 15.928 14.406 1.00 0.00 ATOM 181 O ILE 25 14.824 19.381 12.965 1.00 0.00 ATOM 182 C ILE 25 14.297 18.454 13.583 1.00 0.00 ATOM 183 N GLY 26 13.073 18.660 14.260 1.00 0.00 ATOM 184 CA GLY 26 12.408 19.951 14.241 1.00 0.00 ATOM 185 O GLY 26 12.927 21.713 15.795 1.00 0.00 ATOM 186 C GLY 26 12.529 20.548 15.638 1.00 0.00 ATOM 187 N HIS 27 12.103 19.794 16.646 1.00 0.00 ATOM 188 CA HIS 27 12.169 20.291 18.010 1.00 0.00 ATOM 189 CB HIS 27 11.609 19.222 18.950 1.00 0.00 ATOM 190 CG HIS 27 11.246 19.741 20.307 1.00 0.00 ATOM 191 CD2 HIS 27 11.199 21.051 20.939 1.00 0.00 ATOM 192 ND1 HIS 27 10.833 18.919 21.333 1.00 0.00 ATOM 193 CE1 HIS 27 10.579 19.667 22.420 1.00 0.00 ATOM 194 NE2 HIS 27 10.796 20.948 22.192 1.00 0.00 ATOM 195 O HIS 27 14.317 19.936 18.988 1.00 0.00 ATOM 196 C HIS 27 13.484 20.761 18.612 1.00 0.00 ATOM 197 N LEU 28 13.669 22.079 18.685 1.00 0.00 ATOM 198 CA LEU 28 14.871 22.696 19.262 1.00 0.00 ATOM 199 CB LEU 28 15.788 23.327 18.143 1.00 0.00 ATOM 200 CG LEU 28 16.271 22.500 16.978 1.00 0.00 ATOM 201 CD1 LEU 28 17.016 23.314 16.069 1.00 0.00 ATOM 202 CD2 LEU 28 16.998 21.380 17.501 1.00 0.00 ATOM 203 O LEU 28 13.423 24.461 19.994 1.00 0.00 ATOM 204 C LEU 28 14.465 23.840 20.178 1.00 0.00 ATOM 205 N VAL 29 15.334 24.173 21.116 1.00 0.00 ATOM 206 CA VAL 29 15.077 25.264 22.039 1.00 0.00 ATOM 207 CB VAL 29 15.229 24.774 23.490 1.00 0.00 ATOM 208 CG1 VAL 29 14.978 25.913 24.467 1.00 0.00 ATOM 209 CG2 VAL 29 14.233 23.662 23.784 1.00 0.00 ATOM 210 O VAL 29 17.301 26.033 21.654 1.00 0.00 ATOM 211 C VAL 29 16.114 26.331 21.715 1.00 0.00 ATOM 212 N LEU 30 15.654 27.547 21.468 1.00 0.00 ATOM 213 CA LEU 30 16.551 28.671 21.142 1.00 0.00 ATOM 214 CB LEU 30 16.046 29.366 19.883 1.00 0.00 ATOM 215 CG LEU 30 15.910 28.510 18.626 1.00 0.00 ATOM 216 CD1 LEU 30 15.181 29.291 17.539 1.00 0.00 ATOM 217 CD2 LEU 30 17.294 28.083 18.153 1.00 0.00 ATOM 218 O LEU 30 15.444 30.193 22.622 1.00 0.00 ATOM 219 C LEU 30 16.528 29.734 22.253 1.00 0.00 ATOM 220 N ASP 31 17.707 30.221 22.654 1.00 0.00 ATOM 221 CA ASP 31 17.785 31.398 23.507 1.00 0.00 ATOM 222 CB ASP 31 19.214 31.504 24.094 1.00 0.00 ATOM 223 CG ASP 31 19.226 32.590 25.197 1.00 0.00 ATOM 224 OD1 ASP 31 18.444 32.486 26.173 1.00 0.00 ATOM 225 OD2 ASP 31 19.857 33.628 24.975 1.00 0.00 ATOM 226 O ASP 31 16.521 33.431 23.424 1.00 0.00 ATOM 227 C ASP 31 17.187 32.627 22.797 1.00 0.00 ATOM 228 N GLN 32 17.435 32.709 21.481 1.00 0.00 ATOM 229 CA GLN 32 16.854 33.780 20.705 1.00 0.00 ATOM 230 CB GLN 32 17.283 33.748 19.249 1.00 0.00 ATOM 231 CG GLN 32 16.718 34.851 18.396 1.00 0.00 ATOM 232 CD GLN 32 17.253 34.903 16.987 1.00 0.00 ATOM 233 OE1 GLN 32 17.032 35.882 16.267 1.00 0.00 ATOM 234 NE2 GLN 32 17.952 33.870 16.556 1.00 0.00 ATOM 235 O GLN 32 14.618 34.688 20.917 1.00 0.00 ATOM 236 C GLN 32 15.315 33.705 20.739 1.00 0.00 ATOM 237 N ASN 33 14.809 32.446 20.422 1.00 0.00 ATOM 238 CA ASN 33 13.368 32.226 20.396 1.00 0.00 ATOM 239 CB ASN 33 13.083 30.741 20.147 1.00 0.00 ATOM 240 CG ASN 33 11.607 30.409 20.210 1.00 0.00 ATOM 241 ND2 ASN 33 10.984 30.277 19.045 1.00 0.00 ATOM 242 OD1 ASN 33 11.030 30.280 21.292 1.00 0.00 ATOM 243 O ASN 33 11.816 33.426 21.797 1.00 0.00 ATOM 244 C ASN 33 12.785 32.669 21.739 1.00 0.00 ATOM 245 N MET 34 13.413 32.223 22.821 1.00 0.00 ATOM 246 CA MET 34 12.950 32.576 24.161 1.00 0.00 ATOM 247 CB MET 34 13.728 31.796 25.215 1.00 0.00 ATOM 248 CG MET 34 13.643 30.280 25.071 1.00 0.00 ATOM 249 SD MET 34 11.954 29.666 25.126 1.00 0.00 ATOM 250 CE MET 34 11.549 29.795 26.850 1.00 0.00 ATOM 251 O MET 34 12.186 34.677 25.024 1.00 0.00 ATOM 252 C MET 34 13.075 34.083 24.436 1.00 0.00 ATOM 253 N SER 35 14.213 34.723 23.907 1.00 0.00 ATOM 254 CA SER 35 14.429 36.156 24.063 1.00 0.00 ATOM 255 CB SER 35 15.820 36.571 23.663 1.00 0.00 ATOM 256 OG SER 35 16.070 36.330 22.288 1.00 0.00 ATOM 257 O SER 35 12.939 38.024 23.753 1.00 0.00 ATOM 258 C SER 35 13.396 36.985 23.275 1.00 0.00 ATOM 259 N ILE 36 13.003 36.502 22.101 1.00 0.00 ATOM 260 CA ILE 36 11.980 37.162 21.310 1.00 0.00 ATOM 261 CB ILE 36 11.811 36.440 19.973 1.00 0.00 ATOM 262 CG1 ILE 36 13.008 36.769 19.072 1.00 0.00 ATOM 263 CG2 ILE 36 10.509 36.817 19.304 1.00 0.00 ATOM 264 CD1 ILE 36 13.118 35.881 17.907 1.00 0.00 ATOM 265 O ILE 36 10.026 38.282 22.150 1.00 0.00 ATOM 266 C ILE 36 10.665 37.232 22.087 1.00 0.00 ATOM 267 N LEU 37 10.308 36.157 22.727 1.00 0.00 ATOM 268 CA LEU 37 9.069 36.141 23.498 1.00 0.00 ATOM 269 CB LEU 37 8.775 34.740 23.996 1.00 0.00 ATOM 270 CG LEU 37 8.443 33.717 22.925 1.00 0.00 ATOM 271 CD1 LEU 37 8.383 32.321 23.533 1.00 0.00 ATOM 272 CD2 LEU 37 7.154 34.056 22.179 1.00 0.00 ATOM 273 O LEU 37 8.153 37.807 24.946 1.00 0.00 ATOM 274 C LEU 37 9.126 37.114 24.675 1.00 0.00 ATOM 275 N GLU 38 10.393 37.146 25.355 1.00 0.00 ATOM 276 CA GLU 38 10.612 38.033 26.484 1.00 0.00 ATOM 277 CB GLU 38 11.705 37.574 27.397 1.00 0.00 ATOM 278 CG GLU 38 11.515 36.186 27.987 1.00 0.00 ATOM 279 CD GLU 38 10.291 36.098 28.871 1.00 0.00 ATOM 280 OE1 GLU 38 10.095 36.999 29.716 1.00 0.00 ATOM 281 OE2 GLU 38 9.516 35.127 28.724 1.00 0.00 ATOM 282 O GLU 38 11.104 40.271 27.045 1.00 0.00 ATOM 283 C GLU 38 10.959 39.473 26.090 1.00 0.00 ATOM 284 N GLY 39 11.065 39.756 24.842 1.00 0.00 ATOM 285 CA GLY 39 11.340 41.122 24.421 1.00 0.00 ATOM 286 O GLY 39 13.143 42.633 23.991 1.00 0.00 ATOM 287 C GLY 39 12.809 41.496 24.330 1.00 0.00 ATOM 288 N SER 40 13.693 40.557 24.634 1.00 0.00 ATOM 289 CA SER 40 15.135 40.790 24.568 1.00 0.00 ATOM 290 CB SER 40 15.778 40.657 25.924 1.00 0.00 ATOM 291 OG SER 40 17.203 40.732 25.765 1.00 0.00 ATOM 292 O SER 40 15.906 38.583 24.051 1.00 0.00 ATOM 293 C SER 40 15.776 39.745 23.655 1.00 0.00 ATOM 294 N LEU 41 16.187 40.150 22.447 1.00 0.00 ATOM 295 CA LEU 41 16.780 39.200 21.500 1.00 0.00 ATOM 296 CB LEU 41 16.204 39.543 20.125 1.00 0.00 ATOM 297 CG LEU 41 16.821 38.764 18.947 1.00 0.00 ATOM 298 CD1 LEU 41 16.498 37.261 19.053 1.00 0.00 ATOM 299 CD2 LEU 41 16.330 39.330 17.591 1.00 0.00 ATOM 300 O LEU 41 18.866 40.309 21.001 1.00 0.00 ATOM 301 C LEU 41 18.303 39.323 21.511 1.00 0.00 ATOM 302 N GLY 42 18.976 38.307 22.070 1.00 0.00 ATOM 303 CA GLY 42 20.425 38.333 22.119 1.00 0.00 ATOM 304 O GLY 42 22.263 36.807 22.123 1.00 0.00 ATOM 305 C GLY 42 21.104 37.017 21.776 1.00 0.00 ATOM 306 N VAL 43 24.784 36.172 20.321 1.00 0.00 ATOM 307 CA VAL 43 24.877 34.812 19.779 1.00 0.00 ATOM 308 CB VAL 43 25.980 34.000 20.481 1.00 0.00 ATOM 309 CG1 VAL 43 27.344 34.629 20.236 1.00 0.00 ATOM 310 CG2 VAL 43 25.735 33.953 21.982 1.00 0.00 ATOM 311 O VAL 43 22.690 34.566 20.739 1.00 0.00 ATOM 312 C VAL 43 23.550 34.104 19.989 1.00 0.00 ATOM 313 N ILE 44 23.380 32.976 19.321 1.00 0.00 ATOM 314 CA ILE 44 22.178 32.181 19.477 1.00 0.00 ATOM 315 CB ILE 44 21.353 32.152 18.158 1.00 0.00 ATOM 316 CG1 ILE 44 20.995 33.573 17.715 1.00 0.00 ATOM 317 CG2 ILE 44 20.105 31.307 18.320 1.00 0.00 ATOM 318 CD1 ILE 44 20.272 34.374 18.758 1.00 0.00 ATOM 319 O ILE 44 23.188 30.034 19.172 1.00 0.00 ATOM 320 C ILE 44 22.444 30.734 19.851 1.00 0.00 ATOM 321 N PRO 45 21.906 30.318 21.000 1.00 0.00 ATOM 322 CA PRO 45 22.083 28.942 21.454 1.00 0.00 ATOM 323 CB PRO 45 21.739 29.100 22.916 1.00 0.00 ATOM 324 CG PRO 45 21.149 30.472 23.151 1.00 0.00 ATOM 325 CD PRO 45 21.882 31.330 22.139 1.00 0.00 ATOM 326 O PRO 45 19.724 28.435 21.195 1.00 0.00 ATOM 327 C PRO 45 20.892 28.070 21.027 1.00 0.00 ATOM 328 N ARG 46 21.186 26.927 20.441 1.00 0.00 ATOM 329 CA ARG 46 20.146 26.002 19.996 1.00 0.00 ATOM 330 CB ARG 46 20.229 25.757 18.489 1.00 0.00 ATOM 331 CG ARG 46 19.139 24.846 17.947 1.00 0.00 ATOM 332 CD ARG 46 19.276 24.654 16.446 1.00 0.00 ATOM 333 NE ARG 46 19.031 25.893 15.710 1.00 0.00 ATOM 334 CZ ARG 46 17.836 26.283 15.283 1.00 0.00 ATOM 335 NH1 ARG 46 17.709 27.425 14.621 1.00 0.00 ATOM 336 NH2 ARG 46 16.769 25.531 15.516 1.00 0.00 ATOM 337 O ARG 46 21.450 24.096 20.616 1.00 0.00 ATOM 338 C ARG 46 20.361 24.671 20.684 1.00 0.00 ATOM 339 N ARG 47 19.364 24.213 21.413 1.00 0.00 ATOM 340 CA ARG 47 19.486 22.933 22.091 1.00 0.00 ATOM 341 CB ARG 47 19.023 23.099 23.536 1.00 0.00 ATOM 342 CG ARG 47 19.286 21.895 24.419 1.00 0.00 ATOM 343 CD ARG 47 18.631 22.085 25.773 1.00 0.00 ATOM 344 NE ARG 47 19.012 21.048 26.730 1.00 0.00 ATOM 345 CZ ARG 47 18.645 21.037 28.009 1.00 0.00 ATOM 346 NH1 ARG 47 17.877 22.007 28.491 1.00 0.00 ATOM 347 NH2 ARG 47 19.081 20.082 28.819 1.00 0.00 ATOM 348 O ARG 47 17.418 22.243 21.141 1.00 0.00 ATOM 349 C ARG 47 18.597 21.940 21.400 1.00 0.00 ATOM 350 N VAL 48 19.163 20.787 21.054 1.00 0.00 ATOM 351 CA VAL 48 18.393 19.749 20.389 1.00 0.00 ATOM 352 CB VAL 48 18.858 19.569 18.932 1.00 0.00 ATOM 353 CG1 VAL 48 18.066 18.462 18.252 1.00 0.00 ATOM 354 CG2 VAL 48 18.658 20.856 18.146 1.00 0.00 ATOM 355 O VAL 48 19.644 18.074 21.594 1.00 0.00 ATOM 356 C VAL 48 18.554 18.386 21.114 1.00 0.00 ATOM 357 N LEU 49 17.446 17.678 21.349 1.00 0.00 ATOM 358 CA LEU 49 17.492 16.360 22.013 1.00 0.00 ATOM 359 CB LEU 49 16.264 16.143 22.900 1.00 0.00 ATOM 360 CG LEU 49 16.075 14.758 23.540 1.00 0.00 ATOM 361 CD1 LEU 49 17.281 14.403 24.392 1.00 0.00 ATOM 362 CD2 LEU 49 14.787 14.689 24.347 1.00 0.00 ATOM 363 O LEU 49 16.513 15.285 20.097 1.00 0.00 ATOM 364 C LEU 49 17.435 15.287 20.922 1.00 0.00 ATOM 365 N VAL 50 18.425 14.403 20.877 1.00 0.00 ATOM 366 CA VAL 50 18.457 13.399 19.828 1.00 0.00 ATOM 367 CB VAL 50 19.323 13.928 18.595 1.00 0.00 ATOM 368 CG1 VAL 50 18.742 15.228 18.031 1.00 0.00 ATOM 369 CG2 VAL 50 20.753 14.138 19.056 1.00 0.00 ATOM 370 O VAL 50 19.429 11.797 21.339 1.00 0.00 ATOM 371 C VAL 50 18.847 11.997 20.273 1.00 0.00 ATOM 372 N HIS 51 18.442 11.023 19.450 1.00 0.00 ATOM 373 CA HIS 51 18.864 9.656 19.651 1.00 0.00 ATOM 374 CB HIS 51 18.135 8.707 18.709 1.00 0.00 ATOM 375 CG HIS 51 16.693 8.539 19.018 1.00 0.00 ATOM 376 CD2 HIS 51 16.039 8.461 20.201 1.00 0.00 ATOM 377 ND1 HIS 51 15.731 8.422 18.039 1.00 0.00 ATOM 378 CE1 HIS 51 14.545 8.275 18.604 1.00 0.00 ATOM 379 NE2 HIS 51 14.704 8.296 19.917 1.00 0.00 ATOM 380 O HIS 51 20.830 10.388 18.581 1.00 0.00 ATOM 381 C HIS 51 20.344 9.598 19.371 1.00 0.00 ATOM 382 N GLU 52 21.059 8.655 19.981 1.00 0.00 ATOM 383 CA GLU 52 22.493 8.544 19.774 1.00 0.00 ATOM 384 CB GLU 52 23.088 7.478 20.697 1.00 0.00 ATOM 385 CG GLU 52 23.152 7.889 22.159 1.00 0.00 ATOM 386 CD GLU 52 23.658 6.777 23.056 1.00 0.00 ATOM 387 OE1 GLU 52 23.893 5.662 22.543 1.00 0.00 ATOM 388 OE2 GLU 52 23.819 7.020 24.270 1.00 0.00 ATOM 389 O GLU 52 23.872 8.834 17.841 1.00 0.00 ATOM 390 C GLU 52 22.924 8.234 18.344 1.00 0.00 ATOM 391 N ASP 53 22.194 7.326 17.703 1.00 0.00 ATOM 392 CA ASP 53 22.517 6.957 16.326 1.00 0.00 ATOM 393 CB ASP 53 21.551 5.884 15.822 1.00 0.00 ATOM 394 CG ASP 53 21.801 4.530 16.457 1.00 0.00 ATOM 395 OD1 ASP 53 22.861 4.359 17.093 1.00 0.00 ATOM 396 OD2 ASP 53 20.935 3.640 16.318 1.00 0.00 ATOM 397 O ASP 53 22.900 8.093 14.242 1.00 0.00 ATOM 398 C ASP 53 22.435 8.158 15.390 1.00 0.00 ATOM 399 N ASP 54 21.734 9.197 15.825 1.00 0.00 ATOM 400 CA ASP 54 21.535 10.376 14.995 1.00 0.00 ATOM 401 CB ASP 54 20.180 11.019 15.302 1.00 0.00 ATOM 402 CG ASP 54 19.015 10.112 14.957 1.00 0.00 ATOM 403 OD1 ASP 54 19.010 9.548 13.843 1.00 0.00 ATOM 404 OD2 ASP 54 18.108 9.964 15.803 1.00 0.00 ATOM 405 O ASP 54 22.560 12.468 14.412 1.00 0.00 ATOM 406 C ASP 54 22.542 11.508 15.182 1.00 0.00 ATOM 407 N LEU 55 23.366 11.418 16.183 1.00 0.00 ATOM 408 CA LEU 55 24.349 12.460 16.456 1.00 0.00 ATOM 409 CB LEU 55 24.915 12.335 17.915 1.00 0.00 ATOM 410 CG LEU 55 24.010 12.772 19.064 1.00 0.00 ATOM 411 CD1 LEU 55 24.575 12.262 20.379 1.00 0.00 ATOM 412 CD2 LEU 55 23.890 14.287 19.082 1.00 0.00 ATOM 413 O LEU 55 26.028 13.704 15.321 1.00 0.00 ATOM 414 C LEU 55 25.499 12.584 15.479 1.00 0.00 ATOM 415 N ALA 56 25.976 11.450 14.889 1.00 0.00 ATOM 416 CA ALA 56 27.088 11.525 13.923 1.00 0.00 ATOM 417 CB ALA 56 27.459 10.175 13.330 1.00 0.00 ATOM 418 O ALA 56 27.357 13.394 12.392 1.00 0.00 ATOM 419 C ALA 56 26.646 12.430 12.748 1.00 0.00 ATOM 420 N GLY 57 25.435 12.206 12.249 1.00 0.00 ATOM 421 CA GLY 57 24.866 13.065 11.246 1.00 0.00 ATOM 422 O GLY 57 24.943 15.466 10.976 1.00 0.00 ATOM 423 C GLY 57 24.667 14.506 11.712 1.00 0.00 ATOM 424 N ALA 58 24.189 14.692 12.946 1.00 0.00 ATOM 425 CA ALA 58 23.975 16.037 13.480 1.00 0.00 ATOM 426 CB ALA 58 23.347 15.958 14.862 1.00 0.00 ATOM 427 O ALA 58 25.365 17.979 13.130 1.00 0.00 ATOM 428 C ALA 58 25.288 16.826 13.580 1.00 0.00 ATOM 429 N ARG 59 26.325 16.186 14.113 1.00 0.00 ATOM 430 CA ARG 59 27.615 16.814 14.282 1.00 0.00 ATOM 431 CB ARG 59 28.565 15.868 15.060 1.00 0.00 ATOM 432 CG ARG 59 28.080 15.528 16.466 1.00 0.00 ATOM 433 CD ARG 59 29.220 15.100 17.384 1.00 0.00 ATOM 434 NE ARG 59 29.821 13.820 17.011 1.00 0.00 ATOM 435 CZ ARG 59 29.256 12.636 17.219 1.00 0.00 ATOM 436 NH1 ARG 59 28.066 12.555 17.800 1.00 0.00 ATOM 437 NH2 ARG 59 29.887 11.526 16.857 1.00 0.00 ATOM 438 O ARG 59 28.872 18.177 12.764 1.00 0.00 ATOM 439 C ARG 59 28.201 17.154 12.913 1.00 0.00 ATOM 440 N ARG 60 28.008 16.283 11.912 1.00 0.00 ATOM 441 CA ARG 60 28.512 16.545 10.559 1.00 0.00 ATOM 442 CB ARG 60 28.280 15.408 9.619 1.00 0.00 ATOM 443 CG ARG 60 29.269 14.249 9.943 1.00 0.00 ATOM 444 CD ARG 60 29.453 13.208 8.852 1.00 0.00 ATOM 445 NE ARG 60 28.591 12.090 9.183 1.00 0.00 ATOM 446 CZ ARG 60 28.959 10.883 9.581 1.00 0.00 ATOM 447 NH1 ARG 60 30.242 10.517 9.691 1.00 0.00 ATOM 448 NH2 ARG 60 27.987 10.023 9.870 1.00 0.00 ATOM 449 O ARG 60 28.525 18.624 9.349 1.00 0.00 ATOM 450 C ARG 60 27.862 17.796 9.978 1.00 0.00 ATOM 451 N LEU 61 26.548 17.928 10.194 1.00 0.00 ATOM 452 CA LEU 61 25.825 19.086 9.694 1.00 0.00 ATOM 453 CB LEU 61 24.346 18.989 10.075 1.00 0.00 ATOM 454 CG LEU 61 23.521 17.940 9.327 1.00 0.00 ATOM 455 CD1 LEU 61 22.130 17.818 9.930 1.00 0.00 ATOM 456 CD2 LEU 61 23.371 18.319 7.861 1.00 0.00 ATOM 457 O LEU 61 26.699 21.318 9.631 1.00 0.00 ATOM 458 C LEU 61 26.405 20.343 10.325 1.00 0.00 ATOM 459 N LEU 62 26.622 20.280 11.632 1.00 0.00 ATOM 460 CA LEU 62 27.101 21.428 12.412 1.00 0.00 ATOM 461 CB LEU 62 27.081 21.106 13.908 1.00 0.00 ATOM 462 CG LEU 62 25.700 20.970 14.554 1.00 0.00 ATOM 463 CD1 LEU 62 25.822 20.465 15.983 1.00 0.00 ATOM 464 CD2 LEU 62 24.986 22.313 14.582 1.00 0.00 ATOM 465 O LEU 62 28.813 22.968 11.814 1.00 0.00 ATOM 466 C LEU 62 28.517 21.792 12.026 1.00 0.00 ATOM 467 N THR 63 29.396 20.792 11.939 1.00 0.00 ATOM 468 CA THR 63 30.799 21.044 11.511 1.00 0.00 ATOM 469 CB THR 63 31.618 19.741 11.464 1.00 0.00 ATOM 470 CG2 THR 63 33.035 20.018 10.987 1.00 0.00 ATOM 471 OG1 THR 63 31.673 19.162 12.775 1.00 0.00 ATOM 472 O THR 63 31.605 22.594 9.865 1.00 0.00 ATOM 473 C THR 63 30.836 21.663 10.121 1.00 0.00 ATOM 474 N ASP 64 29.982 21.147 9.235 1.00 0.00 ATOM 475 CA ASP 64 29.929 21.657 7.875 1.00 0.00 ATOM 476 CB ASP 64 28.883 20.887 7.068 1.00 0.00 ATOM 477 CG ASP 64 29.329 19.477 6.731 1.00 0.00 ATOM 478 OD1 ASP 64 30.527 19.174 6.910 1.00 0.00 ATOM 479 OD2 ASP 64 28.479 18.675 6.287 1.00 0.00 ATOM 480 O ASP 64 30.094 23.892 7.036 1.00 0.00 ATOM 481 C ASP 64 29.555 23.133 7.837 1.00 0.00 ATOM 482 N ALA 65 28.647 23.524 8.695 1.00 0.00 ATOM 483 CA ALA 65 28.188 24.913 8.751 1.00 0.00 ATOM 484 CB ALA 65 26.740 24.948 9.212 1.00 0.00 ATOM 485 O ALA 65 28.811 26.990 9.784 1.00 0.00 ATOM 486 C ALA 65 29.043 25.787 9.670 1.00 0.00 ATOM 487 N GLY 66 30.057 25.188 10.338 1.00 0.00 ATOM 488 CA GLY 66 30.941 25.932 11.223 1.00 0.00 ATOM 489 O GLY 66 30.845 27.179 13.289 1.00 0.00 ATOM 490 C GLY 66 30.342 26.286 12.587 1.00 0.00 ATOM 491 N LEU 67 29.270 25.582 12.954 1.00 0.00 ATOM 492 CA LEU 67 28.506 25.896 14.148 1.00 0.00 ATOM 493 CB LEU 67 27.049 25.462 13.973 1.00 0.00 ATOM 494 CG LEU 67 26.278 26.119 12.826 1.00 0.00 ATOM 495 CD1 LEU 67 24.886 25.520 12.701 1.00 0.00 ATOM 496 CD2 LEU 67 26.132 27.614 13.065 1.00 0.00 ATOM 497 O LEU 67 29.215 23.974 15.393 1.00 0.00 ATOM 498 C LEU 67 29.130 25.197 15.361 1.00 0.00 ATOM 499 N ALA 68 29.540 25.960 16.383 1.00 0.00 ATOM 500 CA ALA 68 30.135 25.367 17.579 1.00 0.00 ATOM 501 CB ALA 68 30.581 26.470 18.526 1.00 0.00 ATOM 502 O ALA 68 27.900 25.031 18.394 1.00 0.00 ATOM 503 C ALA 68 29.051 24.600 18.328 1.00 0.00 ATOM 504 N HIS 69 29.430 23.463 18.915 1.00 0.00 ATOM 505 CA HIS 69 28.515 22.605 19.673 1.00 0.00 ATOM 506 CB HIS 69 27.964 21.484 18.790 1.00 0.00 ATOM 507 CG HIS 69 28.997 20.488 18.362 1.00 0.00 ATOM 508 CD2 HIS 69 29.427 19.176 18.824 1.00 0.00 ATOM 509 ND1 HIS 69 29.834 20.698 17.289 1.00 0.00 ATOM 510 CE1 HIS 69 30.646 19.635 17.152 1.00 0.00 ATOM 511 NE2 HIS 69 30.408 18.718 18.070 1.00 0.00 ATOM 512 O HIS 69 30.360 21.673 20.915 1.00 0.00 ATOM 513 C HIS 69 29.150 21.916 20.891 1.00 0.00 ATOM 514 N GLU 70 28.287 21.476 21.804 1.00 0.00 ATOM 515 CA GLU 70 28.689 20.749 22.993 1.00 0.00 ATOM 516 CB GLU 70 28.678 21.689 24.199 1.00 0.00 ATOM 517 CG GLU 70 29.098 21.032 25.504 1.00 0.00 ATOM 518 CD GLU 70 29.206 22.022 26.647 1.00 0.00 ATOM 519 OE1 GLU 70 29.031 23.234 26.402 1.00 0.00 ATOM 520 OE2 GLU 70 29.461 21.585 27.788 1.00 0.00 ATOM 521 O GLU 70 26.476 19.844 23.097 1.00 0.00 ATOM 522 C GLU 70 27.671 19.609 23.124 1.00 0.00 ATOM 523 N LEU 71 28.162 18.376 23.181 1.00 0.00 ATOM 524 CA LEU 71 27.315 17.191 23.312 1.00 0.00 ATOM 525 CB LEU 71 27.783 16.063 22.391 1.00 0.00 ATOM 526 CG LEU 71 26.967 14.770 22.433 1.00 0.00 ATOM 527 CD1 LEU 71 25.569 14.998 21.879 1.00 0.00 ATOM 528 CD2 LEU 71 27.635 13.684 21.602 1.00 0.00 ATOM 529 O LEU 71 28.546 16.295 25.162 1.00 0.00 ATOM 530 C LEU 71 27.438 16.519 24.655 1.00 0.00 ATOM 531 N ARG 72 26.279 16.233 25.237 1.00 0.00 ATOM 532 CA ARG 72 26.236 15.612 26.548 1.00 0.00 ATOM 533 CB ARG 72 25.880 16.635 27.629 1.00 0.00 ATOM 534 CG ARG 72 27.001 17.615 27.914 1.00 0.00 ATOM 535 CD ARG 72 26.518 18.817 28.708 1.00 0.00 ATOM 536 NE ARG 72 25.622 19.668 27.929 1.00 0.00 ATOM 537 CZ ARG 72 24.305 19.732 28.099 1.00 0.00 ATOM 538 NH1 ARG 72 23.716 18.992 29.030 1.00 0.00 ATOM 539 NH2 ARG 72 23.578 20.544 27.338 1.00 0.00 ATOM 540 O ARG 72 24.157 14.483 26.038 1.00 0.00 ATOM 541 C ARG 72 25.232 14.482 26.671 1.00 0.00 ATOM 542 N SER 73 25.512 13.445 27.556 1.00 0.00 ATOM 543 CA SER 73 24.588 12.330 27.757 1.00 0.00 ATOM 544 CB SER 73 25.312 11.115 28.331 1.00 0.00 ATOM 545 OG SER 73 25.916 11.443 29.565 1.00 0.00 ATOM 546 O SER 73 22.702 11.755 29.120 1.00 0.00 ATOM 547 C SER 73 23.414 12.660 28.675 1.00 0.00 ATOM 548 N ASP 74 23.235 13.918 29.024 1.00 0.00 ATOM 549 CA ASP 74 22.137 14.304 29.908 1.00 0.00 ATOM 550 CB ASP 74 22.117 15.814 30.128 1.00 0.00 ATOM 551 CG ASP 74 23.209 16.287 31.069 1.00 0.00 ATOM 552 OD1 ASP 74 23.289 17.513 31.286 1.00 0.00 ATOM 553 OD2 ASP 74 23.981 15.450 31.591 1.00 0.00 ATOM 554 O ASP 74 20.452 14.232 28.209 1.00 0.00 ATOM 555 C ASP 74 20.791 13.882 29.333 1.00 0.00 ATOM 556 N ASP 75 20.024 13.138 30.168 1.00 0.00 ATOM 557 CA ASP 75 18.697 12.681 29.741 1.00 0.00 ATOM 558 CB ASP 75 18.119 11.668 30.699 1.00 0.00 ATOM 559 CG ASP 75 18.966 10.394 30.783 1.00 0.00 ATOM 560 OD1 ASP 75 19.617 9.911 29.866 1.00 0.00 ATOM 561 OD2 ASP 75 18.930 9.823 31.896 1.00 0.00 ATOM 562 O ASP 75 17.995 14.994 30.205 1.00 0.00 ATOM 563 C ASP 75 17.807 13.937 29.592 1.00 0.00 TER END