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 1 Sun Jul 16 10:33:46 2006 MODEL 1 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 21.969 12.581 23.313 1.00 0.00 ATOM 2 CA MET 1 23.090 13.562 23.389 1.00 0.00 ATOM 3 CB MET 1 24.030 13.383 22.184 1.00 0.00 ATOM 4 CG MET 1 25.206 14.349 22.148 1.00 0.00 ATOM 5 SD MET 1 26.293 14.002 20.745 1.00 0.00 ATOM 6 CE MET 1 25.488 14.841 19.467 1.00 0.00 ATOM 7 O MET 1 21.704 15.385 22.701 1.00 0.00 ATOM 8 C MET 1 22.520 14.968 23.515 1.00 0.00 ATOM 9 N ARG 2 22.984 15.676 24.537 1.00 0.00 ATOM 10 CA ARG 2 22.503 17.038 24.766 1.00 0.00 ATOM 11 CB ARG 2 22.206 17.271 26.245 1.00 0.00 ATOM 12 CG ARG 2 20.948 16.579 26.752 1.00 0.00 ATOM 13 CD ARG 2 20.734 16.893 28.222 1.00 0.00 ATOM 14 NE ARG 2 21.740 16.243 29.058 1.00 0.00 ATOM 15 CZ ARG 2 21.750 14.957 29.395 1.00 0.00 ATOM 16 NH1 ARG 2 20.801 14.129 28.983 1.00 0.00 ATOM 17 NH2 ARG 2 22.729 14.500 30.152 1.00 0.00 ATOM 18 O ARG 2 24.733 17.885 24.708 1.00 0.00 ATOM 19 C ARG 2 23.591 17.972 24.269 1.00 0.00 ATOM 20 N GLU 3 23.259 18.826 23.315 1.00 0.00 ATOM 21 CA GLU 3 24.237 19.742 22.745 1.00 0.00 ATOM 22 CB GLU 3 24.503 19.428 21.271 1.00 0.00 ATOM 23 CG GLU 3 23.258 19.425 20.395 1.00 0.00 ATOM 24 CD GLU 3 23.602 19.134 18.960 1.00 0.00 ATOM 25 OE1 GLU 3 24.747 18.868 18.685 1.00 0.00 ATOM 26 OE2 GLU 3 22.702 19.070 18.156 1.00 0.00 ATOM 27 O GLU 3 22.653 21.541 22.730 1.00 0.00 ATOM 28 C GLU 3 23.831 21.207 22.853 1.00 0.00 ATOM 29 N LEU 4 24.885 22.129 23.022 1.00 0.00 ATOM 30 CA LEU 4 24.644 23.561 23.118 1.00 0.00 ATOM 31 CB LEU 4 25.112 24.079 24.484 1.00 0.00 ATOM 32 CG LEU 4 24.930 25.584 24.710 1.00 0.00 ATOM 33 CD1 LEU 4 23.451 25.945 24.659 1.00 0.00 ATOM 34 CD2 LEU 4 25.533 25.975 26.050 1.00 0.00 ATOM 35 O LEU 4 26.596 24.243 21.888 1.00 0.00 ATOM 36 C LEU 4 25.360 24.262 21.954 1.00 0.00 ATOM 37 N LEU 5 24.553 24.798 21.061 1.00 0.00 ATOM 38 CA LEU 5 25.071 25.457 19.840 1.00 0.00 ATOM 39 CB LEU 5 24.336 24.957 18.589 1.00 0.00 ATOM 40 CG LEU 5 24.066 23.444 18.556 1.00 0.00 ATOM 41 CD1 LEU 5 23.466 23.016 17.236 1.00 0.00 ATOM 42 CD2 LEU 5 25.317 22.619 18.663 1.00 0.00 ATOM 43 O LEU 5 23.806 27.407 20.418 1.00 0.00 ATOM 44 C LEU 5 24.854 26.960 19.959 1.00 0.00 ATOM 45 N ARG 6 25.800 27.735 19.436 1.00 0.00 ATOM 46 CA ARG 6 25.655 29.199 19.384 1.00 0.00 ATOM 47 CB ARG 6 27.044 29.718 19.432 1.00 0.00 ATOM 48 CG ARG 6 27.360 29.860 20.914 1.00 0.00 ATOM 49 CD ARG 6 26.418 30.822 21.606 1.00 0.00 ATOM 50 NE ARG 6 26.869 32.208 21.502 1.00 0.00 ATOM 51 CZ ARG 6 26.281 33.233 22.109 1.00 0.00 ATOM 52 NH1 ARG 6 25.207 33.036 22.866 1.00 0.00 ATOM 53 NH2 ARG 6 26.778 34.458 21.979 1.00 0.00 ATOM 54 O ARG 6 26.139 29.297 17.016 1.00 0.00 ATOM 55 C ARG 6 25.379 29.598 17.935 1.00 0.00 ATOM 56 N THR 7 24.276 30.322 17.781 1.00 0.00 ATOM 57 CA THR 7 23.859 30.829 16.471 1.00 0.00 ATOM 58 CB THR 7 22.336 30.590 16.140 1.00 0.00 ATOM 59 CG2 THR 7 22.038 30.913 14.706 1.00 0.00 ATOM 60 OG1 THR 7 21.964 29.232 16.376 1.00 0.00 ATOM 61 O THR 7 23.660 33.029 17.439 1.00 0.00 ATOM 62 C THR 7 23.981 32.355 16.459 1.00 0.00 ATOM 63 N ASN 8 24.569 32.852 15.396 1.00 0.00 ATOM 64 CA ASN 8 24.836 34.297 15.207 1.00 0.00 ATOM 65 CB ASN 8 26.312 34.574 14.982 1.00 0.00 ATOM 66 CG ASN 8 27.184 34.183 16.142 1.00 0.00 ATOM 67 ND2 ASN 8 28.039 33.221 15.906 1.00 0.00 ATOM 68 OD1 ASN 8 27.137 34.796 17.215 1.00 0.00 ATOM 69 O ASN 8 23.842 36.130 14.045 1.00 0.00 ATOM 70 C ASN 8 24.034 34.915 14.060 1.00 0.00 ATOM 71 N ASP 9 23.561 34.080 13.145 1.00 0.00 ATOM 72 CA ASP 9 22.813 34.543 11.969 1.00 0.00 ATOM 73 CB ASP 9 23.788 34.959 10.845 1.00 0.00 ATOM 74 CG ASP 9 24.602 33.813 10.239 1.00 0.00 ATOM 75 OD1 ASP 9 24.268 32.646 10.505 1.00 0.00 ATOM 76 OD2 ASP 9 25.381 34.111 9.326 1.00 0.00 ATOM 77 O ASP 9 21.764 32.350 11.943 1.00 0.00 ATOM 78 C ASP 9 21.814 33.482 11.456 1.00 0.00 ATOM 79 N ALA 10 21.045 33.896 10.454 1.00 0.00 ATOM 80 CA ALA 10 20.012 33.018 9.867 1.00 0.00 ATOM 81 CB ALA 10 19.187 33.845 8.853 1.00 0.00 ATOM 82 O ALA 10 19.964 30.750 9.210 1.00 0.00 ATOM 83 C ALA 10 20.584 31.790 9.161 1.00 0.00 ATOM 84 N VAL 11 21.789 31.895 8.595 1.00 0.00 ATOM 85 CA VAL 11 22.500 30.714 8.044 1.00 0.00 ATOM 86 CB VAL 11 23.842 31.111 7.404 1.00 0.00 ATOM 87 CG1 VAL 11 24.640 29.872 7.028 1.00 0.00 ATOM 88 CG2 VAL 11 23.613 31.986 6.181 1.00 0.00 ATOM 89 O VAL 11 22.545 28.503 8.958 1.00 0.00 ATOM 90 C VAL 11 22.785 29.685 9.147 1.00 0.00 ATOM 91 N LEU 12 23.283 30.122 10.316 1.00 0.00 ATOM 92 CA LEU 12 23.475 29.211 11.447 1.00 0.00 ATOM 93 CB LEU 12 24.126 29.986 12.599 1.00 0.00 ATOM 94 CG LEU 12 25.608 29.671 12.842 1.00 0.00 ATOM 95 CD1 LEU 12 26.204 28.985 11.621 1.00 0.00 ATOM 96 CD2 LEU 12 26.357 30.959 13.156 1.00 0.00 ATOM 97 O LEU 12 22.126 27.353 12.161 1.00 0.00 ATOM 98 C LEU 12 22.185 28.565 11.948 1.00 0.00 ATOM 99 N LEU 13 21.128 29.360 11.907 1.00 0.00 ATOM 100 CA LEU 13 19.759 28.903 12.207 1.00 0.00 ATOM 101 CB LEU 13 18.795 30.095 12.221 1.00 0.00 ATOM 102 CG LEU 13 17.416 29.813 12.830 1.00 0.00 ATOM 103 CD1 LEU 13 16.662 31.119 13.044 1.00 0.00 ATOM 104 CD2 LEU 13 16.635 28.883 11.913 1.00 0.00 ATOM 105 O LEU 13 18.707 26.850 11.536 1.00 0.00 ATOM 106 C LEU 13 19.286 27.881 11.169 1.00 0.00 ATOM 107 N SER 14 19.546 28.155 9.905 1.00 0.00 ATOM 108 CA SER 14 19.082 27.278 8.816 1.00 0.00 ATOM 109 CB SER 14 19.337 27.956 7.484 1.00 0.00 ATOM 110 OG SER 14 18.546 29.099 7.316 1.00 0.00 ATOM 111 O SER 14 19.157 24.912 8.542 1.00 0.00 ATOM 112 C SER 14 19.780 25.920 8.840 1.00 0.00 ATOM 113 N ALA 15 21.031 25.915 9.279 1.00 0.00 ATOM 114 CA ALA 15 21.787 24.666 9.466 1.00 0.00 ATOM 115 CB ALA 15 23.202 24.865 9.868 1.00 0.00 ATOM 116 O ALA 15 20.873 22.618 10.315 1.00 0.00 ATOM 117 C ALA 15 21.089 23.805 10.518 1.00 0.00 ATOM 118 N VAL 16 20.704 24.398 11.658 1.00 0.00 ATOM 119 CA VAL 16 19.907 23.680 12.653 1.00 0.00 ATOM 120 CB VAL 16 19.762 24.598 13.936 1.00 0.00 ATOM 121 CG1 VAL 16 18.884 23.904 14.973 1.00 0.00 ATOM 122 CG2 VAL 16 21.133 24.903 14.543 1.00 0.00 ATOM 123 O VAL 16 18.105 22.119 12.320 1.00 0.00 ATOM 124 C VAL 16 18.552 23.236 12.074 1.00 0.00 ATOM 125 N GLY 17 17.923 24.099 11.285 1.00 0.00 ATOM 126 CA GLY 17 16.628 23.754 10.704 1.00 0.00 ATOM 127 O GLY 17 16.032 21.552 9.958 1.00 0.00 ATOM 128 C GLY 17 16.782 22.512 9.832 1.00 0.00 ATOM 129 N ALA 18 17.759 22.526 8.913 1.00 0.00 ATOM 130 CA ALA 18 17.973 21.371 8.044 1.00 0.00 ATOM 131 CB ALA 18 19.042 21.591 7.019 1.00 0.00 ATOM 132 O ALA 18 17.937 19.022 8.545 1.00 0.00 ATOM 133 C ALA 18 18.309 20.145 8.885 1.00 0.00 ATOM 134 N LEU 19 19.022 20.358 10.024 1.00 0.00 ATOM 135 CA LEU 19 19.402 19.271 10.918 1.00 0.00 ATOM 136 CB LEU 19 20.088 19.763 12.134 1.00 0.00 ATOM 137 CG LEU 19 20.327 18.772 13.240 1.00 0.00 ATOM 138 CD1 LEU 19 21.220 17.643 12.736 1.00 0.00 ATOM 139 CD2 LEU 19 20.984 19.475 14.454 1.00 0.00 ATOM 140 O LEU 19 18.065 17.325 11.444 1.00 0.00 ATOM 141 C LEU 19 18.178 18.551 11.453 1.00 0.00 ATOM 142 N LEU 20 17.300 19.392 11.960 1.00 0.00 ATOM 143 CA LEU 20 16.050 18.921 12.569 1.00 0.00 ATOM 144 CB LEU 20 15.344 20.108 13.248 1.00 0.00 ATOM 145 CG LEU 20 14.042 19.768 13.962 1.00 0.00 ATOM 146 CD1 LEU 20 14.283 18.931 15.209 1.00 0.00 ATOM 147 CD2 LEU 20 13.316 21.066 14.313 1.00 0.00 ATOM 148 O LEU 20 14.523 17.206 11.890 1.00 0.00 ATOM 149 C LEU 20 15.151 18.202 11.555 1.00 0.00 ATOM 150 N ASP 21 15.174 18.665 10.308 1.00 0.00 ATOM 151 CA ASP 21 14.341 18.070 9.245 1.00 0.00 ATOM 152 CB ASP 21 14.429 18.902 7.963 1.00 0.00 ATOM 153 CG ASP 21 13.689 20.231 8.024 1.00 0.00 ATOM 154 OD1 ASP 21 12.920 20.420 8.937 1.00 0.00 ATOM 155 OD2 ASP 21 14.010 21.101 7.251 1.00 0.00 ATOM 156 O ASP 21 13.878 15.744 8.789 1.00 0.00 ATOM 157 C ASP 21 14.734 16.616 8.934 1.00 0.00 ATOM 158 N GLY 22 16.132 16.411 8.853 1.00 0.00 ATOM 159 CA GLY 22 16.646 15.066 8.564 1.00 0.00 ATOM 160 O GLY 22 16.812 12.918 9.533 1.00 0.00 ATOM 161 C GLY 22 16.736 14.124 9.770 1.00 0.00 ATOM 162 N ALA 23 17.126 14.663 10.916 1.00 0.00 ATOM 163 CA ALA 23 17.288 13.858 12.146 1.00 0.00 ATOM 164 CB ALA 23 18.687 14.068 12.713 1.00 0.00 ATOM 165 O ALA 23 15.400 15.051 12.981 1.00 0.00 ATOM 166 C ALA 23 16.159 14.099 13.135 1.00 0.00 ATOM 167 N ASP 24 16.043 13.259 14.154 1.00 0.00 ATOM 168 CA ASP 24 15.061 13.429 15.217 1.00 0.00 ATOM 169 CB ASP 24 14.613 12.073 15.765 1.00 0.00 ATOM 170 CG ASP 24 13.569 12.153 16.870 1.00 0.00 ATOM 171 OD1 ASP 24 13.270 13.243 17.300 1.00 0.00 ATOM 172 OD2 ASP 24 12.967 11.149 17.165 1.00 0.00 ATOM 173 O ASP 24 16.413 13.842 17.227 1.00 0.00 ATOM 174 C ASP 24 15.662 14.270 16.360 1.00 0.00 ATOM 175 N ILE 25 15.318 15.539 16.391 1.00 0.00 ATOM 176 CA ILE 25 15.886 16.411 17.437 1.00 0.00 ATOM 177 CB ILE 25 16.499 17.695 16.848 1.00 0.00 ATOM 178 CG1 ILE 25 17.445 17.354 15.692 1.00 0.00 ATOM 179 CG2 ILE 25 17.230 18.480 17.925 1.00 0.00 ATOM 180 CD1 ILE 25 18.605 16.473 16.095 1.00 0.00 ATOM 181 O ILE 25 13.742 17.309 18.074 1.00 0.00 ATOM 182 C ILE 25 14.782 16.767 18.441 1.00 0.00 ATOM 183 N GLY 26 15.184 16.710 19.711 1.00 0.00 ATOM 184 CA GLY 26 14.324 17.165 20.808 1.00 0.00 ATOM 185 O GLY 26 15.748 18.514 22.188 1.00 0.00 ATOM 186 C GLY 26 14.840 18.501 21.349 1.00 0.00 ATOM 187 N HIS 27 14.243 19.680 20.887 1.00 0.00 ATOM 188 CA HIS 27 14.619 21.028 21.342 1.00 0.00 ATOM 189 CB HIS 27 13.923 22.122 20.535 1.00 0.00 ATOM 190 CG HIS 27 14.294 22.174 19.053 1.00 0.00 ATOM 191 CD2 HIS 27 15.293 21.563 18.422 1.00 0.00 ATOM 192 ND1 HIS 27 13.633 22.883 18.155 1.00 0.00 ATOM 193 CE1 HIS 27 14.181 22.659 16.963 1.00 0.00 ATOM 194 NE2 HIS 27 15.235 21.867 17.127 1.00 0.00 ATOM 195 O HIS 27 13.177 20.977 23.260 1.00 0.00 ATOM 196 C HIS 27 14.287 21.245 22.814 1.00 0.00 ATOM 197 N LEU 28 15.310 21.643 23.569 1.00 0.00 ATOM 198 CA LEU 28 15.136 21.969 24.991 1.00 0.00 ATOM 199 CB LEU 28 16.310 21.464 25.847 1.00 0.00 ATOM 200 CG LEU 28 16.450 19.937 25.851 1.00 0.00 ATOM 201 CD1 LEU 28 17.740 19.532 26.573 1.00 0.00 ATOM 202 CD2 LEU 28 15.242 19.295 26.555 1.00 0.00 ATOM 203 O LEU 28 13.971 23.982 25.578 1.00 0.00 ATOM 204 C LEU 28 14.983 23.483 25.128 1.00 0.00 ATOM 205 N VAL 29 15.955 24.251 24.650 1.00 0.00 ATOM 206 CA VAL 29 15.903 25.729 24.771 1.00 0.00 ATOM 207 CB VAL 29 16.607 26.193 26.070 1.00 0.00 ATOM 208 CG1 VAL 29 16.467 27.696 26.229 1.00 0.00 ATOM 209 CG2 VAL 29 16.032 25.470 27.283 1.00 0.00 ATOM 210 O VAL 29 17.704 26.198 23.275 1.00 0.00 ATOM 211 C VAL 29 16.533 26.415 23.557 1.00 0.00 ATOM 212 N LEU 30 15.748 27.190 22.700 1.00 0.00 ATOM 213 CA LEU 30 14.299 27.313 22.991 1.00 0.00 ATOM 214 CB LEU 30 13.853 28.788 23.006 1.00 0.00 ATOM 215 CG LEU 30 14.398 29.657 24.144 1.00 0.00 ATOM 216 CD1 LEU 30 14.212 31.132 23.784 1.00 0.00 ATOM 217 CD2 LEU 30 13.634 29.363 25.441 1.00 0.00 ATOM 218 O LEU 30 13.801 26.295 20.858 1.00 0.00 ATOM 219 C LEU 30 13.419 26.564 21.988 1.00 0.00 ATOM 220 N ASP 31 12.258 26.147 22.482 1.00 0.00 ATOM 221 CA ASP 31 11.352 25.311 21.681 1.00 0.00 ATOM 222 CB ASP 31 11.168 23.967 22.420 1.00 0.00 ATOM 223 CG ASP 31 10.210 22.976 21.734 1.00 0.00 ATOM 224 OD1 ASP 31 9.668 23.328 20.675 1.00 0.00 ATOM 225 OD2 ASP 31 9.907 21.945 22.383 1.00 0.00 ATOM 226 O ASP 31 10.010 26.788 20.361 1.00 0.00 ATOM 227 C ASP 31 10.049 26.042 21.333 1.00 0.00 ATOM 228 N GLN 32 8.978 25.674 22.144 1.00 0.00 ATOM 229 CA GLN 32 7.610 26.198 21.930 1.00 0.00 ATOM 230 CB GLN 32 7.601 27.727 22.016 1.00 0.00 ATOM 231 CG GLN 32 6.222 28.349 21.883 1.00 0.00 ATOM 232 CD GLN 32 5.310 27.987 23.038 1.00 0.00 ATOM 233 OE1 GLN 32 5.712 28.032 24.204 1.00 0.00 ATOM 234 NE2 GLN 32 4.072 27.620 22.721 1.00 0.00 ATOM 235 O GLN 32 7.578 26.263 19.547 1.00 0.00 ATOM 236 C GLN 32 7.168 25.686 20.550 1.00 0.00 ATOM 237 N ASN 33 6.414 24.595 20.520 1.00 0.00 ATOM 238 CA ASN 33 6.019 23.884 19.272 1.00 0.00 ATOM 239 CB ASN 33 5.005 22.791 19.555 1.00 0.00 ATOM 240 CG ASN 33 5.585 21.594 20.257 1.00 0.00 ATOM 241 ND2 ASN 33 4.715 20.769 20.778 1.00 0.00 ATOM 242 OD1 ASN 33 6.803 21.381 20.260 1.00 0.00 ATOM 243 O ASN 33 5.037 24.413 17.146 1.00 0.00 ATOM 244 C ASN 33 5.352 24.832 18.270 1.00 0.00 ATOM 245 N MET 34 5.099 26.150 18.667 1.00 0.00 ATOM 246 CA MET 34 4.462 27.102 17.761 1.00 0.00 ATOM 247 CB MET 34 3.656 27.992 18.706 1.00 0.00 ATOM 248 CG MET 34 2.560 27.266 19.472 1.00 0.00 ATOM 249 SD MET 34 1.337 26.507 18.384 1.00 0.00 ATOM 250 CE MET 34 0.541 27.960 17.704 1.00 0.00 ATOM 251 O MET 34 5.100 28.295 15.746 1.00 0.00 ATOM 252 C MET 34 5.401 28.008 16.908 1.00 0.00 ATOM 253 N SER 35 6.514 28.452 17.502 1.00 0.00 ATOM 254 CA SER 35 7.411 29.477 16.916 1.00 0.00 ATOM 255 CB SER 35 7.077 30.829 17.634 1.00 0.00 ATOM 256 OG SER 35 7.967 31.840 17.237 1.00 0.00 ATOM 257 O SER 35 9.648 29.082 17.755 1.00 0.00 ATOM 258 C SER 35 8.879 29.030 16.809 1.00 0.00 ATOM 259 N ILE 36 9.248 28.688 15.576 1.00 0.00 ATOM 260 CA ILE 36 10.656 28.346 15.261 1.00 0.00 ATOM 261 CB ILE 36 10.818 27.920 13.790 1.00 0.00 ATOM 262 CG1 ILE 36 10.097 26.593 13.536 1.00 0.00 ATOM 263 CG2 ILE 36 12.291 27.807 13.428 1.00 0.00 ATOM 264 CD1 ILE 36 9.972 26.236 12.072 1.00 0.00 ATOM 265 O ILE 36 12.711 29.334 16.058 1.00 0.00 ATOM 266 C ILE 36 11.607 29.522 15.548 1.00 0.00 ATOM 267 N LEU 37 11.231 30.665 14.995 1.00 0.00 ATOM 268 CA LEU 37 12.054 31.871 15.071 1.00 0.00 ATOM 269 CB LEU 37 11.381 33.019 14.309 1.00 0.00 ATOM 270 CG LEU 37 11.344 32.857 12.784 1.00 0.00 ATOM 271 CD1 LEU 37 10.501 33.963 12.162 1.00 0.00 ATOM 272 CD2 LEU 37 12.762 32.887 12.234 1.00 0.00 ATOM 273 O LEU 37 13.487 32.528 16.886 1.00 0.00 ATOM 274 C LEU 37 12.345 32.238 16.526 1.00 0.00 ATOM 275 N GLU 38 11.311 32.224 17.371 1.00 0.00 ATOM 276 CA GLU 38 11.484 32.551 18.783 1.00 0.00 ATOM 277 CB GLU 38 10.255 32.434 19.583 1.00 0.00 ATOM 278 CG GLU 38 9.698 31.032 19.752 1.00 0.00 ATOM 279 CD GLU 38 8.555 30.969 20.752 1.00 0.00 ATOM 280 OE1 GLU 38 7.503 31.613 20.518 1.00 0.00 ATOM 281 OE2 GLU 38 8.712 30.267 21.777 1.00 0.00 ATOM 282 O GLU 38 13.113 31.914 20.420 1.00 0.00 ATOM 283 C GLU 38 12.361 31.544 19.508 1.00 0.00 ATOM 284 N GLY 39 12.244 30.254 19.123 1.00 0.00 ATOM 285 CA GLY 39 13.064 29.221 19.738 1.00 0.00 ATOM 286 O GLY 39 15.348 29.494 20.399 1.00 0.00 ATOM 287 C GLY 39 14.527 29.488 19.474 1.00 0.00 ATOM 288 N SER 40 14.803 29.763 18.137 1.00 0.00 ATOM 289 CA SER 40 16.154 30.163 17.770 1.00 0.00 ATOM 290 CB SER 40 16.689 29.287 16.635 1.00 0.00 ATOM 291 OG SER 40 17.981 29.726 16.230 1.00 0.00 ATOM 292 O SER 40 15.991 31.892 16.110 1.00 0.00 ATOM 293 C SER 40 16.174 31.611 17.287 1.00 0.00 ATOM 294 N LEU 41 16.621 32.453 18.200 1.00 0.00 ATOM 295 CA LEU 41 16.831 33.876 17.881 1.00 0.00 ATOM 296 CB LEU 41 16.524 34.744 19.107 1.00 0.00 ATOM 297 CG LEU 41 15.090 34.636 19.641 1.00 0.00 ATOM 298 CD1 LEU 41 14.937 35.478 20.900 1.00 0.00 ATOM 299 CD2 LEU 41 14.111 35.088 18.568 1.00 0.00 ATOM 300 O LEU 41 18.988 33.137 17.158 1.00 0.00 ATOM 301 C LEU 41 18.271 34.112 17.385 1.00 0.00 ATOM 302 N GLY 42 18.466 35.182 16.620 1.00 0.00 ATOM 303 CA GLY 42 19.815 35.607 16.193 1.00 0.00 ATOM 304 O GLY 42 21.461 33.940 16.720 1.00 0.00 ATOM 305 C GLY 42 21.043 35.082 16.922 1.00 0.00 ATOM 306 N VAL 43 21.632 36.005 17.822 1.00 0.00 ATOM 307 CA VAL 43 22.824 35.664 18.600 1.00 0.00 ATOM 308 CB VAL 43 23.772 36.872 18.883 1.00 0.00 ATOM 309 CG1 VAL 43 25.053 36.411 19.569 1.00 0.00 ATOM 310 CG2 VAL 43 24.106 37.623 17.608 1.00 0.00 ATOM 311 O VAL 43 22.123 35.520 20.928 1.00 0.00 ATOM 312 C VAL 43 22.316 34.931 19.877 1.00 0.00 ATOM 313 N ILE 44 22.125 33.619 19.754 1.00 0.00 ATOM 314 CA ILE 44 21.473 32.853 20.783 1.00 0.00 ATOM 315 CB ILE 44 19.923 32.939 20.718 1.00 0.00 ATOM 316 CG1 ILE 44 19.306 32.591 22.080 1.00 0.00 ATOM 317 CG2 ILE 44 19.348 31.953 19.691 1.00 0.00 ATOM 318 CD1 ILE 44 17.803 32.837 22.222 1.00 0.00 ATOM 319 O ILE 44 22.237 30.835 19.699 1.00 0.00 ATOM 320 C ILE 44 21.842 31.374 20.752 1.00 0.00 ATOM 321 N PRO 45 22.047 30.798 21.936 1.00 0.00 ATOM 322 CA PRO 45 22.393 29.370 22.050 1.00 0.00 ATOM 323 CB PRO 45 23.150 29.313 23.348 1.00 0.00 ATOM 324 CG PRO 45 22.390 30.293 24.202 1.00 0.00 ATOM 325 CD PRO 45 22.174 31.482 23.241 1.00 0.00 ATOM 326 O PRO 45 20.050 29.013 22.548 1.00 0.00 ATOM 327 C PRO 45 21.093 28.595 22.028 1.00 0.00 ATOM 328 N ARG 46 21.242 27.376 21.520 1.00 0.00 ATOM 329 CA ARG 46 20.150 26.396 21.477 1.00 0.00 ATOM 330 CB ARG 46 19.683 26.198 20.032 1.00 0.00 ATOM 331 CG ARG 46 19.222 27.497 19.357 1.00 0.00 ATOM 332 CD ARG 46 17.803 27.881 19.757 1.00 0.00 ATOM 333 NE ARG 46 16.809 27.120 18.973 1.00 0.00 ATOM 334 CZ ARG 46 16.181 26.021 19.405 1.00 0.00 ATOM 335 NH1 ARG 46 16.425 25.514 20.593 1.00 0.00 ATOM 336 NH2 ARG 46 15.319 25.378 18.633 1.00 0.00 ATOM 337 O ARG 46 21.759 24.635 21.721 1.00 0.00 ATOM 338 C ARG 46 20.688 25.114 22.087 1.00 0.00 ATOM 339 N ARG 47 19.977 24.577 23.066 1.00 0.00 ATOM 340 CA ARG 47 20.346 23.333 23.721 1.00 0.00 ATOM 341 CB ARG 47 20.840 23.634 25.151 1.00 0.00 ATOM 342 CG ARG 47 19.781 24.306 26.019 1.00 0.00 ATOM 343 CD ARG 47 20.088 24.126 27.499 1.00 0.00 ATOM 344 NE ARG 47 19.946 22.728 27.895 1.00 0.00 ATOM 345 CZ ARG 47 20.245 22.247 29.099 1.00 0.00 ATOM 346 NH1 ARG 47 20.711 23.049 30.047 1.00 0.00 ATOM 347 NH2 ARG 47 20.079 20.957 29.350 1.00 0.00 ATOM 348 O ARG 47 18.085 22.521 23.664 1.00 0.00 ATOM 349 C ARG 47 19.273 22.269 23.446 1.00 0.00 ATOM 350 N VAL 48 19.722 21.180 22.829 1.00 0.00 ATOM 351 CA VAL 48 18.831 20.125 22.304 1.00 0.00 ATOM 352 CB VAL 48 18.589 20.309 20.795 1.00 0.00 ATOM 353 CG1 VAL 48 18.044 21.700 20.508 1.00 0.00 ATOM 354 CG2 VAL 48 19.874 20.071 20.016 1.00 0.00 ATOM 355 O VAL 48 20.581 18.466 22.465 1.00 0.00 ATOM 356 C VAL 48 19.376 18.699 22.539 1.00 0.00 ATOM 357 N LEU 49 18.444 17.754 22.630 1.00 0.00 ATOM 358 CA LEU 49 18.735 16.308 22.724 1.00 0.00 ATOM 359 CB LEU 49 17.637 15.599 23.483 1.00 0.00 ATOM 360 CG LEU 49 17.757 14.076 23.521 1.00 0.00 ATOM 361 CD1 LEU 49 19.024 13.603 24.276 1.00 0.00 ATOM 362 CD2 LEU 49 16.505 13.462 24.140 1.00 0.00 ATOM 363 O LEU 49 17.787 16.203 20.547 1.00 0.00 ATOM 364 C LEU 49 18.588 15.679 21.330 1.00 0.00 ATOM 365 N VAL 50 19.541 14.825 21.002 1.00 0.00 ATOM 366 CA VAL 50 19.523 14.075 19.733 1.00 0.00 ATOM 367 CB VAL 50 20.717 14.502 18.849 1.00 0.00 ATOM 368 CG1 VAL 50 20.660 13.869 17.464 1.00 0.00 ATOM 369 CG2 VAL 50 20.802 16.020 18.666 1.00 0.00 ATOM 370 O VAL 50 20.266 12.073 20.869 1.00 0.00 ATOM 371 C VAL 50 19.534 12.579 19.976 1.00 0.00 ATOM 372 N HIS 51 18.738 11.792 19.192 1.00 0.00 ATOM 373 CA HIS 51 18.751 10.330 19.314 1.00 0.00 ATOM 374 CB HIS 51 17.624 9.800 18.423 1.00 0.00 ATOM 375 CG HIS 51 17.412 8.322 18.537 1.00 0.00 ATOM 376 CD2 HIS 51 16.504 7.603 19.237 1.00 0.00 ATOM 377 ND1 HIS 51 18.197 7.404 17.871 1.00 0.00 ATOM 378 CE1 HIS 51 17.781 6.183 18.159 1.00 0.00 ATOM 379 NE2 HIS 51 16.755 6.277 18.985 1.00 0.00 ATOM 380 O HIS 51 20.932 10.430 18.298 1.00 0.00 ATOM 381 C HIS 51 20.144 9.774 18.973 1.00 0.00 ATOM 382 N GLU 52 20.426 8.576 19.428 1.00 0.00 ATOM 383 CA GLU 52 21.719 7.951 19.178 1.00 0.00 ATOM 384 CB GLU 52 21.675 6.571 19.838 1.00 0.00 ATOM 385 CG GLU 52 22.950 5.754 19.675 1.00 0.00 ATOM 386 CD GLU 52 22.849 4.435 20.387 1.00 0.00 ATOM 387 OE1 GLU 52 21.839 4.188 21.002 1.00 0.00 ATOM 388 OE2 GLU 52 23.732 3.626 20.225 1.00 0.00 ATOM 389 O GLU 52 23.135 8.177 17.289 1.00 0.00 ATOM 390 C GLU 52 22.053 7.751 17.694 1.00 0.00 ATOM 391 N ASP 53 21.042 7.370 16.918 1.00 0.00 ATOM 392 CA ASP 53 21.151 7.130 15.458 1.00 0.00 ATOM 393 CB ASP 53 19.889 6.445 14.930 1.00 0.00 ATOM 394 CG ASP 53 19.762 4.977 15.317 1.00 0.00 ATOM 395 OD1 ASP 53 20.726 4.421 15.787 1.00 0.00 ATOM 396 OD2 ASP 53 18.667 4.469 15.289 1.00 0.00 ATOM 397 O ASP 53 22.121 8.414 13.649 1.00 0.00 ATOM 398 C ASP 53 21.433 8.425 14.673 1.00 0.00 ATOM 399 N ASP 54 21.068 9.557 15.279 1.00 0.00 ATOM 400 CA ASP 54 21.192 10.866 14.623 1.00 0.00 ATOM 401 CB ASP 54 19.893 11.652 14.810 1.00 0.00 ATOM 402 CG ASP 54 18.687 11.054 14.097 1.00 0.00 ATOM 403 OD1 ASP 54 18.881 10.242 13.223 1.00 0.00 ATOM 404 OD2 ASP 54 17.586 11.290 14.536 1.00 0.00 ATOM 405 O ASP 54 22.431 12.932 14.624 1.00 0.00 ATOM 406 C ASP 54 22.335 11.785 15.074 1.00 0.00 ATOM 407 N LEU 55 23.205 11.287 15.955 1.00 0.00 ATOM 408 CA LEU 55 24.285 12.143 16.489 1.00 0.00 ATOM 409 CB LEU 55 25.095 11.420 17.531 1.00 0.00 ATOM 410 CG LEU 55 24.236 10.997 18.733 1.00 0.00 ATOM 411 CD1 LEU 55 25.050 10.243 19.760 1.00 0.00 ATOM 412 CD2 LEU 55 23.553 12.219 19.373 1.00 0.00 ATOM 413 O LEU 55 25.728 13.703 15.338 1.00 0.00 ATOM 414 C LEU 55 25.305 12.556 15.440 1.00 0.00 ATOM 415 N ALA 56 25.717 11.563 14.661 1.00 0.00 ATOM 416 CA ALA 56 26.695 11.794 13.588 1.00 0.00 ATOM 417 CB ALA 56 27.079 10.425 12.987 1.00 0.00 ATOM 418 O ALA 56 26.833 13.697 12.088 1.00 0.00 ATOM 419 C ALA 56 26.123 12.769 12.538 1.00 0.00 ATOM 420 N GLY 57 24.840 12.613 12.155 1.00 0.00 ATOM 421 CA GLY 57 24.198 13.516 11.204 1.00 0.00 ATOM 422 O GLY 57 24.529 15.877 10.996 1.00 0.00 ATOM 423 C GLY 57 24.173 14.942 11.719 1.00 0.00 ATOM 424 N ALA 58 23.803 15.120 12.990 1.00 0.00 ATOM 425 CA ALA 58 23.743 16.433 13.620 1.00 0.00 ATOM 426 CB ALA 58 23.129 16.378 14.994 1.00 0.00 ATOM 427 O ALA 58 25.242 18.297 13.417 1.00 0.00 ATOM 428 C ALA 58 25.098 17.119 13.756 1.00 0.00 ATOM 429 N ARG 59 26.064 16.398 14.267 1.00 0.00 ATOM 430 CA ARG 59 27.404 16.938 14.440 1.00 0.00 ATOM 431 CB ARG 59 28.366 15.911 15.058 1.00 0.00 ATOM 432 CG ARG 59 28.212 15.767 16.577 1.00 0.00 ATOM 433 CD ARG 59 29.276 14.850 17.230 1.00 0.00 ATOM 434 NE ARG 59 29.384 13.549 16.568 1.00 0.00 ATOM 435 CZ ARG 59 28.818 12.414 17.004 1.00 0.00 ATOM 436 NH1 ARG 59 28.105 12.389 18.121 1.00 0.00 ATOM 437 NH2 ARG 59 28.979 11.297 16.325 1.00 0.00 ATOM 438 O ARG 59 28.658 18.389 13.014 1.00 0.00 ATOM 439 C ARG 59 28.027 17.339 13.107 1.00 0.00 ATOM 440 N ARG 60 27.851 16.514 12.060 1.00 0.00 ATOM 441 CA ARG 60 28.404 16.820 10.741 1.00 0.00 ATOM 442 CB ARG 60 28.048 15.817 9.704 1.00 0.00 ATOM 443 CG ARG 60 28.911 14.565 9.786 1.00 0.00 ATOM 444 CD ARG 60 28.795 13.728 8.523 1.00 0.00 ATOM 445 NE ARG 60 27.558 12.951 8.465 1.00 0.00 ATOM 446 CZ ARG 60 27.367 11.804 9.108 1.00 0.00 ATOM 447 NH1 ARG 60 28.331 11.293 9.863 1.00 0.00 ATOM 448 NH2 ARG 60 26.215 11.159 8.989 1.00 0.00 ATOM 449 O ARG 60 28.466 18.908 9.548 1.00 0.00 ATOM 450 C ARG 60 27.781 18.099 10.178 1.00 0.00 ATOM 451 N LEU 61 26.471 18.301 10.404 1.00 0.00 ATOM 452 CA LEU 61 25.804 19.508 9.931 1.00 0.00 ATOM 453 CB LEU 61 24.310 19.422 10.106 1.00 0.00 ATOM 454 CG LEU 61 23.622 18.356 9.251 1.00 0.00 ATOM 455 CD1 LEU 61 22.163 18.237 9.666 1.00 0.00 ATOM 456 CD2 LEU 61 23.734 18.725 7.776 1.00 0.00 ATOM 457 O LEU 61 26.633 21.764 10.041 1.00 0.00 ATOM 458 C LEU 61 26.406 20.714 10.645 1.00 0.00 ATOM 459 N LEU 62 26.668 20.566 11.956 1.00 0.00 ATOM 460 CA LEU 62 27.255 21.644 12.737 1.00 0.00 ATOM 461 CB LEU 62 27.459 21.376 14.142 1.00 0.00 ATOM 462 CG LEU 62 26.127 21.146 14.872 1.00 0.00 ATOM 463 CD1 LEU 62 26.402 20.798 16.333 1.00 0.00 ATOM 464 CD2 LEU 62 25.257 22.387 14.771 1.00 0.00 ATOM 465 O LEU 62 29.015 23.123 11.916 1.00 0.00 ATOM 466 C LEU 62 28.673 21.956 12.197 1.00 0.00 ATOM 467 N THR 63 29.436 20.921 11.979 1.00 0.00 ATOM 468 CA THR 63 30.808 21.107 11.498 1.00 0.00 ATOM 469 CB THR 63 31.539 19.751 11.471 1.00 0.00 ATOM 470 CG2 THR 63 32.950 19.953 10.950 1.00 0.00 ATOM 471 OG1 THR 63 31.560 19.262 12.830 1.00 0.00 ATOM 472 O THR 63 31.592 22.622 9.851 1.00 0.00 ATOM 473 C THR 63 30.815 21.716 10.097 1.00 0.00 ATOM 474 N ASP 64 29.940 21.245 9.209 1.00 0.00 ATOM 475 CA ASP 64 29.894 21.715 7.810 1.00 0.00 ATOM 476 CB ASP 64 28.905 20.879 6.994 1.00 0.00 ATOM 477 CG ASP 64 29.384 19.468 6.680 1.00 0.00 ATOM 478 OD1 ASP 64 30.546 19.199 6.874 1.00 0.00 ATOM 479 OD2 ASP 64 28.559 18.630 6.400 1.00 0.00 ATOM 480 O ASP 64 30.338 23.996 7.235 1.00 0.00 ATOM 481 C ASP 64 29.545 23.210 7.732 1.00 0.00 ATOM 482 N ALA 65 28.486 23.584 8.464 1.00 0.00 ATOM 483 CA ALA 65 28.121 25.013 8.601 1.00 0.00 ATOM 484 CB ALA 65 26.805 25.258 9.331 1.00 0.00 ATOM 485 O ALA 65 29.048 26.995 9.583 1.00 0.00 ATOM 486 C ALA 65 29.115 25.791 9.426 1.00 0.00 ATOM 487 N GLY 66 30.078 25.073 10.127 1.00 0.00 ATOM 488 CA GLY 66 31.065 25.780 10.936 1.00 0.00 ATOM 489 O GLY 66 30.830 27.506 12.619 1.00 0.00 ATOM 490 C GLY 66 30.381 26.469 12.127 1.00 0.00 ATOM 491 N LEU 67 29.309 25.870 12.632 1.00 0.00 ATOM 492 CA LEU 67 28.574 26.445 13.762 1.00 0.00 ATOM 493 CB LEU 67 27.180 25.823 13.773 1.00 0.00 ATOM 494 CG LEU 67 26.113 26.733 14.374 1.00 0.00 ATOM 495 CD1 LEU 67 24.785 26.478 13.656 1.00 0.00 ATOM 496 CD2 LEU 67 25.909 26.477 15.861 1.00 0.00 ATOM 497 O LEU 67 29.686 25.015 15.339 1.00 0.00 ATOM 498 C LEU 67 29.320 26.156 15.071 1.00 0.00 ATOM 499 N ALA 68 29.469 27.186 15.900 1.00 0.00 ATOM 500 CA ALA 68 30.048 27.029 17.248 1.00 0.00 ATOM 501 CB ALA 68 30.225 28.375 17.961 1.00 0.00 ATOM 502 O ALA 68 27.921 26.430 18.176 1.00 0.00 ATOM 503 C ALA 68 29.115 26.144 18.089 1.00 0.00 ATOM 504 N HIS 69 29.707 25.138 18.705 1.00 0.00 ATOM 505 CA HIS 69 28.950 24.201 19.543 1.00 0.00 ATOM 506 CB HIS 69 28.282 23.145 18.684 1.00 0.00 ATOM 507 CG HIS 69 29.104 22.144 17.896 1.00 0.00 ATOM 508 CD2 HIS 69 29.461 20.928 18.271 1.00 0.00 ATOM 509 ND1 HIS 69 29.589 22.344 16.694 1.00 0.00 ATOM 510 CE1 HIS 69 30.287 21.284 16.328 1.00 0.00 ATOM 511 NE2 HIS 69 30.186 20.393 17.303 1.00 0.00 ATOM 512 O HIS 69 30.973 23.150 20.321 1.00 0.00 ATOM 513 C HIS 69 29.801 23.437 20.544 1.00 0.00 ATOM 514 N GLU 70 29.086 22.924 21.524 1.00 0.00 ATOM 515 CA GLU 70 29.686 21.949 22.446 1.00 0.00 ATOM 516 CB GLU 70 30.144 22.640 23.733 1.00 0.00 ATOM 517 CG GLU 70 29.018 23.242 24.560 1.00 0.00 ATOM 518 CD GLU 70 29.549 23.942 25.779 1.00 0.00 ATOM 519 OE1 GLU 70 30.746 23.991 25.939 1.00 0.00 ATOM 520 OE2 GLU 70 28.767 24.524 26.493 1.00 0.00 ATOM 521 O GLU 70 27.559 21.090 23.158 1.00 0.00 ATOM 522 C GLU 70 28.729 20.844 22.860 1.00 0.00 ATOM 523 N LEU 71 29.288 19.637 22.959 1.00 0.00 ATOM 524 CA LEU 71 28.553 18.490 23.527 1.00 0.00 ATOM 525 CB LEU 71 29.199 17.142 23.202 1.00 0.00 ATOM 526 CG LEU 71 29.379 16.861 21.710 1.00 0.00 ATOM 527 CD1 LEU 71 30.041 15.513 21.477 1.00 0.00 ATOM 528 CD2 LEU 71 28.037 16.771 20.989 1.00 0.00 ATOM 529 O LEU 71 29.393 18.347 25.780 1.00 0.00 ATOM 530 C LEU 71 28.438 18.611 25.050 1.00 0.00 ATOM 531 N ARG 72 27.132 18.869 25.484 1.00 0.00 ATOM 532 CA ARG 72 26.820 18.840 26.935 1.00 0.00 ATOM 533 CB ARG 72 25.498 19.525 27.250 1.00 0.00 ATOM 534 CG ARG 72 25.506 21.037 27.090 1.00 0.00 ATOM 535 CD ARG 72 26.146 21.769 28.215 1.00 0.00 ATOM 536 NE ARG 72 25.461 21.634 29.489 1.00 0.00 ATOM 537 CZ ARG 72 25.904 22.143 30.655 1.00 0.00 ATOM 538 NH1 ARG 72 27.048 22.789 30.720 1.00 0.00 ATOM 539 NH2 ARG 72 25.170 21.957 31.738 1.00 0.00 ATOM 540 O ARG 72 27.368 17.147 28.571 1.00 0.00 ATOM 541 C ARG 72 26.801 17.415 27.510 1.00 0.00 ATOM 542 N SER 73 26.164 16.532 26.790 1.00 0.00 ATOM 543 CA SER 73 26.044 15.124 27.143 1.00 0.00 ATOM 544 CB SER 73 24.735 14.847 27.910 1.00 0.00 ATOM 545 OG SER 73 24.562 13.445 28.092 1.00 0.00 ATOM 546 O SER 73 25.346 14.276 25.083 1.00 0.00 ATOM 547 C SER 73 26.172 14.277 25.946 1.00 0.00 ATOM 548 N ASP 74 27.259 13.399 25.921 1.00 0.00 ATOM 549 CA ASP 74 27.472 12.485 24.844 1.00 0.00 ATOM 550 CB ASP 74 28.739 11.652 25.156 1.00 0.00 ATOM 551 CG ASP 74 30.019 12.424 25.019 1.00 0.00 ATOM 552 OD1 ASP 74 29.988 13.543 24.447 1.00 0.00 ATOM 553 OD2 ASP 74 31.088 11.972 25.477 1.00 0.00 ATOM 554 O ASP 74 25.993 11.131 23.534 1.00 0.00 ATOM 555 C ASP 74 26.313 11.511 24.665 1.00 0.00 ATOM 556 N ASP 75 25.697 11.117 25.784 1.00 0.00 ATOM 557 CA ASP 75 24.578 10.182 25.728 1.00 0.00 ATOM 558 CB ASP 75 24.374 9.563 27.114 1.00 0.00 ATOM 559 CG ASP 75 25.491 8.631 27.547 1.00 0.00 ATOM 560 OD1 ASP 75 26.254 8.106 26.702 1.00 0.00 ATOM 561 OD2 ASP 75 25.514 8.279 28.748 1.00 0.00 ATOM 562 O ASP 75 22.258 10.171 25.220 1.00 0.00 ATOM 563 C ASP 75 23.292 10.839 25.245 1.00 0.00 TER END