PFRMAT TS TARGET T0362 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 New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another 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 METHOD For T0362, we got excellent alignment to 1s5uA with the automatic model. METHOD We did not try to optimize the model further as a monomer, but made a METHOD dimer based on 1s5uA, and optimized the dimer. METHOD METHOD The differences between models is rather slight---mainly in the METHOD rotamers chosen. METHOD METHOD Model 1 is chain A of dimer try16-opt2.unpack.gromacs0.repack-nonPC, METHOD which was optimized in a dimer context with alternate rounds METHOD of undertaker, gromacs, and sidechain repacking by rosetta. METHOD It is rosetta's favorite of the sidechains it repacked. METHOD METHOD Model 2 is chain A of dimer try14-opt2, an earlier round of dimeric METHOD optimization, which still has slight breaks and clashes. METHOD METHOD Model 3 is try2-opt2, an optimization from the alignments with a METHOD slightly different cost functon than the automatic one. It METHOD scores slightly better (in a monomeric context) than the METHOD automatic model (try1-opt2). METHOD METHOD Model 4 is try1-opt2.gromacs0.repack-nonPC, the automatic model after METHOD reoptimizing with gromacs and repacking the sidechains by rosetta. METHOD It is rosetta's favorites of the *monomers* for which it METHOD repacked sidechains (which was not very many--just try1-opt2 METHOD and try2-opt2, with and without gromacs optimization). METHOD Most of our work was on getting the dimer right, and METHOD optimizing the monomer in a dimeric context. METHOD METHOD Model 5 is just sidechain replacement by scwrl on an alignment to 1s5uA. METHOD REMARK 6 REMARK 6 T0362 model 5 Wed Jul 26 08:05:19 2006 MODEL 5 PARENT 1s5u_A ATOM 2 N TRP 6 12.499 36.329 18.436 1.00 0.00 ATOM 3 CA TRP 6 13.395 37.264 19.117 1.00 0.00 ATOM 4 CB TRP 6 13.053 38.707 18.740 1.00 0.00 ATOM 5 CG TRP 6 13.399 39.055 17.325 1.00 0.00 ATOM 6 CD1 TRP 6 12.534 39.173 16.275 1.00 0.00 ATOM 7 CD2 TRP 6 14.704 39.332 16.804 1.00 0.00 ATOM 8 CE2 TRP 6 14.556 39.609 15.431 1.00 0.00 ATOM 9 CE3 TRP 6 15.985 39.372 17.365 1.00 0.00 ATOM 10 NE1 TRP 6 13.220 39.506 15.132 1.00 0.00 ATOM 11 CZ2 TRP 6 15.638 39.923 14.610 1.00 0.00 ATOM 12 CZ3 TRP 6 17.055 39.682 16.547 1.00 0.00 ATOM 13 CH2 TRP 6 16.878 39.955 15.186 1.00 0.00 ATOM 14 O TRP 6 12.236 37.386 21.218 1.00 0.00 ATOM 15 C TRP 6 13.291 37.140 20.637 1.00 0.00 ATOM 16 N LEU 7 14.397 36.761 21.273 1.00 0.00 ATOM 17 CA LEU 7 14.437 36.610 22.722 1.00 0.00 ATOM 18 CB LEU 7 15.364 35.457 23.115 1.00 0.00 ATOM 19 CG LEU 7 14.976 34.070 22.599 1.00 0.00 ATOM 20 CD1 LEU 7 16.028 33.040 22.983 1.00 0.00 ATOM 21 CD2 LEU 7 13.645 33.630 23.187 1.00 0.00 ATOM 22 O LEU 7 15.933 38.481 22.862 1.00 0.00 ATOM 23 C LEU 7 14.956 37.906 23.341 1.00 0.00 ATOM 24 N LEU 8 14.298 38.367 24.398 1.00 0.00 ATOM 25 CA LEU 8 14.699 39.604 25.064 1.00 0.00 ATOM 26 CB LEU 8 13.547 40.611 25.063 1.00 0.00 ATOM 27 CG LEU 8 13.028 41.047 23.691 1.00 0.00 ATOM 28 CD1 LEU 8 11.807 41.941 23.837 1.00 0.00 ATOM 29 CD2 LEU 8 14.096 41.819 22.933 1.00 0.00 ATOM 30 O LEU 8 14.467 38.528 27.194 1.00 0.00 ATOM 31 C LEU 8 15.097 39.333 26.513 1.00 0.00 ATOM 32 N LEU 9 16.143 40.011 26.978 1.00 0.00 ATOM 33 CA LEU 9 16.618 39.824 28.345 1.00 0.00 ATOM 34 CB LEU 9 17.802 38.856 28.372 1.00 0.00 ATOM 35 CG LEU 9 18.437 38.599 29.741 1.00 0.00 ATOM 36 CD1 LEU 9 17.442 37.935 30.679 1.00 0.00 ATOM 37 CD2 LEU 9 19.649 37.689 29.610 1.00 0.00 ATOM 38 O LEU 9 17.950 41.816 28.414 1.00 0.00 ATOM 39 C LEU 9 17.071 41.149 28.950 1.00 0.00 ATOM 40 N ARG 10 16.466 41.554 30.077 1.00 0.00 ATOM 41 CA ARG 10 16.842 42.814 30.725 1.00 0.00 ATOM 42 CB ARG 10 15.733 43.282 31.668 1.00 0.00 ATOM 43 CG ARG 10 14.451 43.696 30.963 1.00 0.00 ATOM 44 CD ARG 10 13.416 44.207 31.954 1.00 0.00 ATOM 45 NE ARG 10 12.195 44.651 31.287 1.00 0.00 ATOM 46 CZ ARG 10 11.138 45.150 31.920 1.00 0.00 ATOM 47 NH1 ARG 10 10.070 45.530 31.231 1.00 0.00 ATOM 48 NH2 ARG 10 11.151 45.270 33.241 1.00 0.00 ATOM 49 O ARG 10 18.386 41.647 32.144 1.00 0.00 ATOM 50 C ARG 10 18.121 42.693 31.552 1.00 0.00 ATOM 51 N ARG 11 18.906 43.766 31.574 1.00 0.00 ATOM 52 CA ARG 11 20.149 43.819 32.344 1.00 0.00 ATOM 53 CB ARG 11 21.345 43.477 31.454 1.00 0.00 ATOM 54 CG ARG 11 22.659 43.333 32.207 1.00 0.00 ATOM 55 CD ARG 11 22.707 42.029 32.985 1.00 0.00 ATOM 56 NE ARG 11 23.978 41.857 33.687 1.00 0.00 ATOM 57 CZ ARG 11 24.201 40.930 34.612 1.00 0.00 ATOM 58 NH1 ARG 11 25.389 40.849 35.196 1.00 0.00 ATOM 59 NH2 ARG 11 23.237 40.087 34.951 1.00 0.00 ATOM 60 O ARG 11 20.371 46.202 32.179 1.00 0.00 ATOM 61 C ARG 11 20.348 45.216 32.917 1.00 0.00 ATOM 62 N VAL 12 20.480 45.297 34.238 1.00 0.00 ATOM 63 CA VAL 12 20.710 46.565 34.914 1.00 0.00 ATOM 64 CB VAL 12 20.079 46.578 36.319 1.00 0.00 ATOM 65 CG1 VAL 12 20.419 47.872 37.043 1.00 0.00 ATOM 66 CG2 VAL 12 18.566 46.463 36.223 1.00 0.00 ATOM 67 O VAL 12 22.945 45.802 35.355 1.00 0.00 ATOM 68 C VAL 12 22.222 46.752 35.031 1.00 0.00 ATOM 69 N VAL 13 22.688 47.975 34.787 1.00 0.00 ATOM 70 CA VAL 13 24.116 48.289 34.864 1.00 0.00 ATOM 71 CB VAL 13 24.492 49.440 33.913 1.00 0.00 ATOM 72 CG1 VAL 13 25.967 49.783 34.049 1.00 0.00 ATOM 73 CG2 VAL 13 24.221 49.050 32.467 1.00 0.00 ATOM 74 O VAL 13 23.921 49.639 36.834 1.00 0.00 ATOM 75 C VAL 13 24.504 48.708 36.276 1.00 0.00 ATOM 76 N ARG 14 25.489 48.017 36.845 1.00 0.00 ATOM 77 CA ARG 14 25.978 48.298 38.197 1.00 0.00 ATOM 78 CB ARG 14 25.954 47.029 39.050 1.00 0.00 ATOM 79 CG ARG 14 24.569 46.432 39.235 1.00 0.00 ATOM 80 CD ARG 14 24.626 45.142 40.037 1.00 0.00 ATOM 81 NE ARG 14 23.295 44.666 40.404 1.00 0.00 ATOM 82 CZ ARG 14 22.546 43.878 39.640 1.00 0.00 ATOM 83 NH1 ARG 14 21.346 43.495 40.057 1.00 0.00 ATOM 84 NH2 ARG 14 22.998 43.474 38.461 1.00 0.00 ATOM 85 O ARG 14 28.033 48.773 37.065 1.00 0.00 ATOM 86 C ARG 14 27.411 48.818 38.124 1.00 0.00 ATOM 87 N PHE 15 27.934 49.313 39.244 1.00 0.00 ATOM 88 CA PHE 15 29.301 49.833 39.255 1.00 0.00 ATOM 89 CB PHE 15 29.734 50.173 40.682 1.00 0.00 ATOM 90 CG PHE 15 31.143 50.681 40.784 1.00 0.00 ATOM 91 CD1 PHE 15 31.439 52.005 40.508 1.00 0.00 ATOM 92 CD2 PHE 15 32.175 49.836 41.154 1.00 0.00 ATOM 93 CE1 PHE 15 32.735 52.472 40.602 1.00 0.00 ATOM 94 CE2 PHE 15 33.472 50.303 41.247 1.00 0.00 ATOM 95 CZ PHE 15 33.754 51.615 40.974 1.00 0.00 ATOM 96 O PHE 15 31.250 49.203 37.982 1.00 0.00 ATOM 97 C PHE 15 30.313 48.830 38.696 1.00 0.00 ATOM 98 N GLY 16 30.114 47.555 39.006 1.00 0.00 ATOM 99 CA GLY 16 31.017 46.500 38.537 1.00 0.00 ATOM 100 O GLY 16 32.152 45.945 36.490 1.00 0.00 ATOM 101 C GLY 16 31.146 46.436 37.011 1.00 0.00 ATOM 102 N ASP 17 30.131 46.931 36.303 1.00 0.00 ATOM 103 CA ASP 17 30.101 46.902 34.838 1.00 0.00 ATOM 104 CB ASP 17 28.661 46.795 34.333 1.00 0.00 ATOM 105 CG ASP 17 27.996 45.495 34.743 1.00 0.00 ATOM 106 OD1 ASP 17 28.620 44.427 34.567 1.00 0.00 ATOM 107 OD2 ASP 17 26.851 45.545 35.238 1.00 0.00 ATOM 108 O ASP 17 30.966 48.140 32.968 1.00 0.00 ATOM 109 C ASP 17 30.703 48.143 34.171 1.00 0.00 ATOM 110 N THR 18 30.914 49.194 34.956 1.00 0.00 ATOM 111 CA THR 18 31.445 50.453 34.444 1.00 0.00 ATOM 112 CB THR 18 30.791 51.664 35.136 1.00 0.00 ATOM 113 CG2 THR 18 29.278 51.600 35.003 1.00 0.00 ATOM 114 OG1 THR 18 31.137 51.667 36.527 1.00 0.00 ATOM 115 O THR 18 33.548 49.821 35.406 1.00 0.00 ATOM 116 C THR 18 32.951 50.589 34.653 1.00 0.00 ATOM 117 N ASP 19 33.554 51.568 33.981 1.00 0.00 ATOM 118 CA ASP 19 34.980 51.843 34.140 1.00 0.00 ATOM 119 CB ASP 19 35.746 51.440 32.877 1.00 0.00 ATOM 120 CG ASP 19 35.322 52.236 31.658 1.00 0.00 ATOM 121 OD1 ASP 19 34.558 53.210 31.823 1.00 0.00 ATOM 122 OD2 ASP 19 35.752 51.885 30.541 1.00 0.00 ATOM 123 O ASP 19 34.264 54.124 34.369 1.00 0.00 ATOM 124 C ASP 19 35.207 53.334 34.391 1.00 0.00 ATOM 125 N ALA 20 36.459 53.704 34.632 1.00 0.00 ATOM 126 CA ALA 20 36.820 55.086 34.931 1.00 0.00 ATOM 127 CB ALA 20 38.330 55.229 35.036 1.00 0.00 ATOM 128 O ALA 20 36.288 57.297 34.178 1.00 0.00 ATOM 129 C ALA 20 36.365 56.101 33.886 1.00 0.00 ATOM 130 N ALA 21 36.068 55.629 32.678 1.00 0.00 ATOM 131 CA ALA 21 35.615 56.521 31.625 1.00 0.00 ATOM 132 CB ALA 21 35.640 55.810 30.281 1.00 0.00 ATOM 133 O ALA 21 33.717 57.933 31.223 1.00 0.00 ATOM 134 C ALA 21 34.197 57.000 31.874 1.00 0.00 ATOM 135 N GLY 22 33.518 56.350 32.816 1.00 0.00 ATOM 136 CA GLY 22 32.156 56.725 33.151 1.00 0.00 ATOM 137 O GLY 22 29.895 56.345 32.475 1.00 0.00 ATOM 138 C GLY 22 31.075 55.984 32.391 1.00 0.00 ATOM 139 N VAL 23 31.462 54.941 31.660 1.00 0.00 ATOM 140 CA VAL 23 30.517 54.154 30.876 1.00 0.00 ATOM 141 CB VAL 23 30.634 54.466 29.372 1.00 0.00 ATOM 142 CG1 VAL 23 30.297 55.925 29.103 1.00 0.00 ATOM 143 CG2 VAL 23 32.049 54.203 28.882 1.00 0.00 ATOM 144 O VAL 23 31.721 52.277 31.767 1.00 0.00 ATOM 145 C VAL 23 30.780 52.656 31.070 1.00 0.00 ATOM 146 N MET 24 29.947 51.811 30.472 1.00 0.00 ATOM 147 CA MET 24 30.129 50.360 30.601 1.00 0.00 ATOM 148 CB MET 24 28.948 49.615 29.975 1.00 0.00 ATOM 149 CG MET 24 28.982 48.110 30.182 1.00 0.00 ATOM 150 SD MET 24 27.591 47.267 29.406 1.00 0.00 ATOM 151 CE MET 24 28.059 47.362 27.679 1.00 0.00 ATOM 152 O MET 24 31.690 50.375 28.779 1.00 0.00 ATOM 153 C MET 24 31.412 49.930 29.891 1.00 0.00 ATOM 154 N HIS 25 32.199 49.085 30.553 1.00 0.00 ATOM 155 CA HIS 25 33.460 48.571 30.010 1.00 0.00 ATOM 156 CB HIS 25 34.208 47.757 31.069 1.00 0.00 ATOM 157 CG HIS 25 35.615 47.415 30.687 1.00 0.00 ATOM 158 CD2 HIS 25 36.935 47.930 31.019 1.00 0.00 ATOM 159 ND1 HIS 25 35.921 46.391 29.817 1.00 0.00 ATOM 160 CE1 HIS 25 37.256 46.327 29.671 1.00 0.00 ATOM 161 NE2 HIS 25 37.872 47.247 30.388 1.00 0.00 ATOM 162 O HIS 25 32.240 46.839 28.911 1.00 0.00 ATOM 163 C HIS 25 33.128 47.680 28.814 1.00 0.00 ATOM 164 N PHE 26 33.852 47.820 27.699 1.00 0.00 ATOM 165 CA PHE 26 33.499 47.026 26.522 1.00 0.00 ATOM 166 CB PHE 26 34.517 47.247 25.402 1.00 0.00 ATOM 167 CG PHE 26 34.452 48.616 24.785 1.00 0.00 ATOM 168 CD1 PHE 26 33.361 49.439 25.005 1.00 0.00 ATOM 169 CD2 PHE 26 35.481 49.080 23.984 1.00 0.00 ATOM 170 CE1 PHE 26 33.302 50.698 24.438 1.00 0.00 ATOM 171 CE2 PHE 26 35.422 50.338 23.417 1.00 0.00 ATOM 172 CZ PHE 26 34.338 51.146 23.640 1.00 0.00 ATOM 173 O PHE 26 32.630 44.850 26.087 1.00 0.00 ATOM 174 C PHE 26 33.439 45.518 26.725 1.00 0.00 ATOM 175 N HIS 27 34.255 44.975 27.624 1.00 0.00 ATOM 176 CA HIS 27 34.226 43.532 27.862 1.00 0.00 ATOM 177 CB HIS 27 35.470 43.092 28.637 1.00 0.00 ATOM 178 CG HIS 27 36.731 43.135 27.833 1.00 0.00 ATOM 179 CD2 HIS 27 37.534 42.159 27.108 1.00 0.00 ATOM 180 ND1 HIS 27 37.440 44.296 27.622 1.00 0.00 ATOM 181 CE1 HIS 27 38.519 44.020 26.866 1.00 0.00 ATOM 182 NE2 HIS 27 38.581 42.740 26.555 1.00 0.00 ATOM 183 O HIS 27 32.622 41.945 28.677 1.00 0.00 ATOM 184 C HIS 27 32.999 43.117 28.670 1.00 0.00 ATOM 185 N GLN 28 32.382 44.074 29.359 1.00 0.00 ATOM 186 CA GLN 28 31.198 43.768 30.155 1.00 0.00 ATOM 187 CB GLN 28 30.817 44.964 31.030 1.00 0.00 ATOM 188 CG GLN 28 31.824 45.278 32.124 1.00 0.00 ATOM 189 CD GLN 28 32.004 44.130 33.098 1.00 0.00 ATOM 190 OE1 GLN 28 31.029 43.531 33.552 1.00 0.00 ATOM 191 NE2 GLN 28 33.254 43.819 33.421 1.00 0.00 ATOM 192 O GLN 28 29.191 42.593 29.580 1.00 0.00 ATOM 193 C GLN 28 30.020 43.439 29.248 1.00 0.00 ATOM 194 N LEU 29 29.945 44.109 28.103 1.00 0.00 ATOM 195 CA LEU 29 28.866 43.843 27.161 1.00 0.00 ATOM 196 CB LEU 29 28.948 44.798 25.968 1.00 0.00 ATOM 197 CG LEU 29 27.864 44.643 24.900 1.00 0.00 ATOM 198 CD1 LEU 29 26.487 44.901 25.493 1.00 0.00 ATOM 199 CD2 LEU 29 28.084 45.630 23.763 1.00 0.00 ATOM 200 O LEU 29 27.996 41.737 26.422 1.00 0.00 ATOM 201 C LEU 29 28.994 42.408 26.670 1.00 0.00 ATOM 202 N PHE 30 30.232 41.948 26.500 1.00 0.00 ATOM 203 CA PHE 30 30.464 40.579 26.047 1.00 0.00 ATOM 204 CB PHE 30 31.964 40.292 25.954 1.00 0.00 ATOM 205 CG PHE 30 32.616 40.866 24.729 1.00 0.00 ATOM 206 CD1 PHE 30 33.350 42.037 24.800 1.00 0.00 ATOM 207 CD2 PHE 30 32.495 40.234 23.503 1.00 0.00 ATOM 208 CE1 PHE 30 33.950 42.564 23.672 1.00 0.00 ATOM 209 CE2 PHE 30 33.094 40.762 22.375 1.00 0.00 ATOM 210 CZ PHE 30 33.819 41.921 22.455 1.00 0.00 ATOM 211 O PHE 30 29.176 38.643 26.666 1.00 0.00 ATOM 212 C PHE 30 29.827 39.618 27.048 1.00 0.00 ATOM 213 N ARG 31 29.995 39.898 28.336 1.00 0.00 ATOM 214 CA ARG 31 29.399 39.053 29.358 1.00 0.00 ATOM 215 CB ARG 31 29.845 39.501 30.751 1.00 0.00 ATOM 216 CG ARG 31 31.303 39.203 31.062 1.00 0.00 ATOM 217 CD ARG 31 31.698 39.744 32.426 1.00 0.00 ATOM 218 NE ARG 31 33.098 39.471 32.740 1.00 0.00 ATOM 219 CZ ARG 31 33.717 39.902 33.834 1.00 0.00 ATOM 220 NH1 ARG 31 34.994 39.604 34.034 1.00 0.00 ATOM 221 NH2 ARG 31 33.059 40.630 34.725 1.00 0.00 ATOM 222 O ARG 31 27.195 38.127 29.410 1.00 0.00 ATOM 223 C ARG 31 27.874 39.138 29.276 1.00 0.00 ATOM 224 N TRP 32 27.334 40.337 29.051 1.00 0.00 ATOM 225 CA TRP 32 25.878 40.489 28.955 1.00 0.00 ATOM 226 CB TRP 32 25.509 41.949 28.683 1.00 0.00 ATOM 227 CG TRP 32 25.747 42.854 29.852 1.00 0.00 ATOM 228 CD1 TRP 32 26.030 42.481 31.134 1.00 0.00 ATOM 229 CD2 TRP 32 25.721 44.288 29.846 1.00 0.00 ATOM 230 CE2 TRP 32 25.998 44.714 31.160 1.00 0.00 ATOM 231 CE3 TRP 32 25.493 45.251 28.859 1.00 0.00 ATOM 232 NE1 TRP 32 26.183 43.591 31.928 1.00 0.00 ATOM 233 CZ2 TRP 32 26.052 46.062 31.513 1.00 0.00 ATOM 234 CZ3 TRP 32 25.547 46.585 29.212 1.00 0.00 ATOM 235 CH2 TRP 32 25.823 46.982 30.526 1.00 0.00 ATOM 236 O TRP 32 24.280 39.015 27.935 1.00 0.00 ATOM 237 C TRP 32 25.345 39.626 27.814 1.00 0.00 ATOM 238 N CYS 33 26.075 39.592 26.699 1.00 0.00 ATOM 239 CA CYS 33 25.658 38.784 25.556 1.00 0.00 ATOM 240 CB CYS 33 26.635 38.959 24.391 1.00 0.00 ATOM 241 SG CYS 33 26.162 38.082 22.882 1.00 0.00 ATOM 242 O CYS 33 24.715 36.579 25.510 1.00 0.00 ATOM 243 C CYS 33 25.613 37.310 25.931 1.00 0.00 ATOM 244 N HIS 34 26.586 36.873 26.724 1.00 0.00 ATOM 245 CA HIS 34 26.629 35.478 27.152 1.00 0.00 ATOM 246 CB HIS 34 27.911 35.199 27.939 1.00 0.00 ATOM 247 CG HIS 34 28.048 33.776 28.385 1.00 0.00 ATOM 248 CD2 HIS 34 28.000 33.080 29.664 1.00 0.00 ATOM 249 ND1 HIS 34 28.276 32.739 27.508 1.00 0.00 ATOM 250 CE1 HIS 34 28.350 31.588 28.201 1.00 0.00 ATOM 251 NE2 HIS 34 28.186 31.786 29.494 1.00 0.00 ATOM 252 O HIS 34 24.778 34.142 27.902 1.00 0.00 ATOM 253 C HIS 34 25.424 35.177 28.047 1.00 0.00 ATOM 254 N GLU 35 25.121 36.079 28.976 1.00 0.00 ATOM 255 CA GLU 35 23.971 35.875 29.855 1.00 0.00 ATOM 256 CB GLU 35 23.775 37.086 30.770 1.00 0.00 ATOM 257 CG GLU 35 22.635 36.935 31.765 1.00 0.00 ATOM 258 CD GLU 35 22.508 38.127 32.691 1.00 0.00 ATOM 259 OE1 GLU 35 23.324 39.065 32.567 1.00 0.00 ATOM 260 OE2 GLU 35 21.593 38.126 33.540 1.00 0.00 ATOM 261 O GLU 35 21.875 34.823 29.341 1.00 0.00 ATOM 262 C GLU 35 22.703 35.680 29.033 1.00 0.00 ATOM 263 N SER 36 22.552 36.496 27.992 1.00 0.00 ATOM 264 CA SER 36 21.372 36.439 27.135 1.00 0.00 ATOM 265 CB SER 36 21.425 37.540 26.074 1.00 0.00 ATOM 266 OG SER 36 20.292 37.487 25.224 1.00 0.00 ATOM 267 O SER 36 20.142 34.574 26.297 1.00 0.00 ATOM 268 C SER 36 21.239 35.113 26.400 1.00 0.00 ATOM 269 N TRP 37 22.348 34.584 25.886 1.00 0.00 ATOM 270 CA TRP 37 22.298 33.305 25.186 1.00 0.00 ATOM 271 CB TRP 37 23.657 32.985 24.560 1.00 0.00 ATOM 272 CG TRP 37 23.681 31.685 23.814 1.00 0.00 ATOM 273 CD1 TRP 37 23.306 31.475 22.519 1.00 0.00 ATOM 274 CD2 TRP 37 24.105 30.412 24.321 1.00 0.00 ATOM 275 CE2 TRP 37 23.958 29.479 23.274 1.00 0.00 ATOM 276 CE3 TRP 37 24.593 29.972 25.554 1.00 0.00 ATOM 277 NE1 TRP 37 23.469 30.152 22.185 1.00 0.00 ATOM 278 CZ2 TRP 37 24.283 28.132 23.426 1.00 0.00 ATOM 279 CZ3 TRP 37 24.913 28.636 25.700 1.00 0.00 ATOM 280 CH2 TRP 37 24.758 27.729 24.645 1.00 0.00 ATOM 281 O TRP 37 21.178 31.292 25.888 1.00 0.00 ATOM 282 C TRP 37 21.931 32.219 26.195 1.00 0.00 ATOM 283 N GLU 38 22.455 32.345 27.413 1.00 0.00 ATOM 284 CA GLU 38 22.161 31.386 28.471 1.00 0.00 ATOM 285 CB GLU 38 22.975 31.708 29.726 1.00 0.00 ATOM 286 CG GLU 38 24.463 31.428 29.590 1.00 0.00 ATOM 287 CD GLU 38 25.253 31.873 30.805 1.00 0.00 ATOM 288 OE1 GLU 38 24.647 32.466 31.722 1.00 0.00 ATOM 289 OE2 GLU 38 26.477 31.628 30.840 1.00 0.00 ATOM 290 O GLU 38 20.047 30.374 29.024 1.00 0.00 ATOM 291 C GLU 38 20.675 31.423 28.837 1.00 0.00 ATOM 292 N GLU 39 20.103 32.623 28.918 1.00 0.00 ATOM 293 CA GLU 39 18.688 32.741 29.264 1.00 0.00 ATOM 294 CB GLU 39 18.324 34.202 29.536 1.00 0.00 ATOM 295 CG GLU 39 18.938 34.769 30.806 1.00 0.00 ATOM 296 CD GLU 39 18.541 33.988 32.043 1.00 0.00 ATOM 297 OE1 GLU 39 17.326 33.781 32.250 1.00 0.00 ATOM 298 OE2 GLU 39 19.444 33.584 32.805 1.00 0.00 ATOM 299 O GLU 39 16.705 31.729 28.386 1.00 0.00 ATOM 300 C GLU 39 17.798 32.235 28.134 1.00 0.00 ATOM 301 N SER 40 18.262 32.363 26.893 1.00 0.00 ATOM 302 CA SER 40 17.482 31.869 25.759 1.00 0.00 ATOM 303 CB SER 40 18.173 32.222 24.440 1.00 0.00 ATOM 304 OG SER 40 18.196 33.623 24.235 1.00 0.00 ATOM 305 O SER 40 16.319 29.756 25.766 1.00 0.00 ATOM 306 C SER 40 17.387 30.351 25.926 1.00 0.00 ATOM 307 N LEU 41 18.512 29.728 26.260 1.00 0.00 ATOM 308 CA LEU 41 18.539 28.287 26.472 1.00 0.00 ATOM 309 CB LEU 41 19.957 27.821 26.807 1.00 0.00 ATOM 310 CG LEU 41 20.979 27.892 25.671 1.00 0.00 ATOM 311 CD1 LEU 41 22.376 27.575 26.184 1.00 0.00 ATOM 312 CD2 LEU 41 20.638 26.891 24.577 1.00 0.00 ATOM 313 O LEU 41 16.867 26.924 27.512 1.00 0.00 ATOM 314 C LEU 41 17.621 27.887 27.624 1.00 0.00 ATOM 315 N GLU 42 17.680 28.630 28.727 1.00 0.00 ATOM 316 CA GLU 42 16.855 28.331 29.896 1.00 0.00 ATOM 317 CB GLU 42 17.150 29.319 31.027 1.00 0.00 ATOM 318 CG GLU 42 18.511 29.131 31.677 1.00 0.00 ATOM 319 CD GLU 42 18.807 30.183 32.727 1.00 0.00 ATOM 320 OE1 GLU 42 17.977 31.101 32.896 1.00 0.00 ATOM 321 OE2 GLU 42 19.868 30.090 33.379 1.00 0.00 ATOM 322 O GLU 42 14.545 27.691 30.078 1.00 0.00 ATOM 323 C GLU 42 15.372 28.430 29.542 1.00 0.00 ATOM 324 N SER 43 15.047 29.351 28.642 1.00 0.00 ATOM 325 CA SER 43 13.670 29.558 28.212 1.00 0.00 ATOM 326 CB SER 43 13.594 30.690 27.186 1.00 0.00 ATOM 327 OG SER 43 13.967 31.928 27.762 1.00 0.00 ATOM 328 O SER 43 11.943 27.994 27.615 1.00 0.00 ATOM 329 C SER 43 13.142 28.273 27.577 1.00 0.00 ATOM 330 N TYR 44 14.054 27.493 27.005 1.00 0.00 ATOM 331 CA TYR 44 13.710 26.229 26.365 1.00 0.00 ATOM 332 CB TYR 44 14.557 26.015 25.110 1.00 0.00 ATOM 333 CG TYR 44 14.310 27.037 24.024 1.00 0.00 ATOM 334 CD1 TYR 44 15.220 28.060 23.788 1.00 0.00 ATOM 335 CD2 TYR 44 13.167 26.976 23.235 1.00 0.00 ATOM 336 CE1 TYR 44 15.003 28.999 22.799 1.00 0.00 ATOM 337 CE2 TYR 44 12.933 27.906 22.240 1.00 0.00 ATOM 338 CZ TYR 44 13.864 28.922 22.026 1.00 0.00 ATOM 339 OH TYR 44 13.644 29.855 21.039 1.00 0.00 ATOM 340 O TYR 44 14.021 23.892 26.859 1.00 0.00 ATOM 341 C TYR 44 13.948 25.039 27.297 1.00 0.00 ATOM 342 N GLY 45 14.069 25.329 28.590 1.00 0.00 ATOM 343 CA GLY 45 14.255 24.303 29.613 1.00 0.00 ATOM 344 O GLY 45 15.718 22.454 30.052 1.00 0.00 ATOM 345 C GLY 45 15.610 23.598 29.606 1.00 0.00 ATOM 346 N LEU 46 16.641 24.277 29.113 1.00 0.00 ATOM 347 CA LEU 46 17.981 23.698 29.076 1.00 0.00 ATOM 348 CB LEU 46 18.598 23.865 27.686 1.00 0.00 ATOM 349 CG LEU 46 17.846 23.209 26.526 1.00 0.00 ATOM 350 CD1 LEU 46 18.519 23.526 25.200 1.00 0.00 ATOM 351 CD2 LEU 46 17.812 21.697 26.693 1.00 0.00 ATOM 352 O LEU 46 18.954 25.603 30.163 1.00 0.00 ATOM 353 C LEU 46 18.900 24.377 30.088 1.00 0.00 ATOM 354 N ASN 47 19.613 23.565 30.863 1.00 0.00 ATOM 355 CA ASN 47 20.547 24.047 31.879 1.00 0.00 ATOM 356 CB ASN 47 20.199 23.462 33.248 1.00 0.00 ATOM 357 CG ASN 47 21.083 24.003 34.356 1.00 0.00 ATOM 358 ND2 ASN 47 20.597 23.927 35.589 1.00 0.00 ATOM 359 OD1 ASN 47 22.187 24.482 34.102 1.00 0.00 ATOM 360 O ASN 47 22.234 22.431 31.348 1.00 0.00 ATOM 361 C ASN 47 21.965 23.623 31.503 1.00 0.00 ATOM 362 N PRO 48 22.866 24.594 31.365 1.00 0.00 ATOM 363 CA PRO 48 24.249 24.296 31.000 1.00 0.00 ATOM 364 CB PRO 48 24.869 25.671 30.750 1.00 0.00 ATOM 365 CG PRO 48 24.039 26.609 31.561 1.00 0.00 ATOM 366 CD PRO 48 22.638 26.069 31.516 1.00 0.00 ATOM 367 O PRO 48 25.976 22.838 31.827 1.00 0.00 ATOM 368 C PRO 48 25.008 23.552 32.101 1.00 0.00 ATOM 369 N ALA 49 24.567 23.714 33.345 1.00 0.00 ATOM 370 CA ALA 49 25.201 23.012 34.454 1.00 0.00 ATOM 371 CB ALA 49 24.681 23.539 35.783 1.00 0.00 ATOM 372 O ALA 49 25.700 20.659 34.423 1.00 0.00 ATOM 373 C ALA 49 24.846 21.536 34.285 1.00 0.00 ATOM 374 N ASP 50 23.581 21.277 33.964 1.00 0.00 ATOM 375 CA ASP 50 23.096 19.913 33.755 1.00 0.00 ATOM 376 CB ASP 50 21.578 19.907 33.557 1.00 0.00 ATOM 377 CG ASP 50 20.822 20.177 34.843 1.00 0.00 ATOM 378 OD1 ASP 50 21.448 20.121 35.922 1.00 0.00 ATOM 379 OD2 ASP 50 19.604 20.443 34.772 1.00 0.00 ATOM 380 O ASP 50 24.170 18.149 32.526 1.00 0.00 ATOM 381 C ASP 50 23.750 19.307 32.517 1.00 0.00 ATOM 382 N ILE 51 23.835 20.097 31.452 1.00 0.00 ATOM 383 CA ILE 51 24.437 19.637 30.207 1.00 0.00 ATOM 384 CB ILE 51 24.386 20.727 29.120 1.00 0.00 ATOM 385 CG1 ILE 51 22.941 20.985 28.690 1.00 0.00 ATOM 386 CG2 ILE 51 25.184 20.298 27.898 1.00 0.00 ATOM 387 CD1 ILE 51 22.772 22.215 27.826 1.00 0.00 ATOM 388 O ILE 51 26.335 18.238 29.794 1.00 0.00 ATOM 389 C ILE 51 25.906 19.245 30.359 1.00 0.00 ATOM 390 N PHE 52 26.680 20.028 31.109 1.00 0.00 ATOM 391 CA PHE 52 28.093 19.699 31.291 1.00 0.00 ATOM 392 CB PHE 52 28.741 20.658 32.292 1.00 0.00 ATOM 393 CG PHE 52 30.189 20.363 32.564 1.00 0.00 ATOM 394 CD1 PHE 52 31.172 20.798 31.694 1.00 0.00 ATOM 395 CD2 PHE 52 30.566 19.650 33.688 1.00 0.00 ATOM 396 CE1 PHE 52 32.505 20.527 31.942 1.00 0.00 ATOM 397 CE2 PHE 52 31.898 19.380 33.939 1.00 0.00 ATOM 398 CZ PHE 52 32.866 19.814 33.070 1.00 0.00 ATOM 399 O PHE 52 29.141 17.546 31.433 1.00 0.00 ATOM 400 C PHE 52 28.227 18.273 31.819 1.00 0.00 ATOM 401 N PRO 53 27.302 17.876 32.688 1.00 0.00 ATOM 402 CA PRO 53 27.312 16.535 33.266 1.00 0.00 ATOM 403 CB PRO 53 26.162 16.558 34.275 1.00 0.00 ATOM 404 CG PRO 53 25.999 18.000 34.622 1.00 0.00 ATOM 405 CD PRO 53 26.295 18.768 33.365 1.00 0.00 ATOM 406 O PRO 53 27.475 14.310 32.367 1.00 0.00 ATOM 407 C PRO 53 27.090 15.469 32.194 1.00 0.00 ATOM 408 N GLY 54 26.459 15.863 31.091 1.00 0.00 ATOM 409 CA GLY 54 26.199 14.945 29.987 1.00 0.00 ATOM 410 O GLY 54 27.148 14.646 27.800 1.00 0.00 ATOM 411 C GLY 54 27.265 15.149 28.918 1.00 0.00 ATOM 412 N GLU 63 28.302 15.899 29.277 1.00 0.00 ATOM 413 CA GLU 63 29.408 16.206 28.377 1.00 0.00 ATOM 414 CB GLU 63 30.059 14.918 27.868 1.00 0.00 ATOM 415 CG GLU 63 30.674 14.059 28.960 1.00 0.00 ATOM 416 CD GLU 63 31.334 12.808 28.416 1.00 0.00 ATOM 417 OE1 GLU 63 31.257 12.582 27.189 1.00 0.00 ATOM 418 OE2 GLU 63 31.927 12.054 29.215 1.00 0.00 ATOM 419 O GLU 63 29.418 16.751 26.027 1.00 0.00 ATOM 420 C GLU 63 28.978 17.006 27.152 1.00 0.00 ATOM 421 N VAL 64 28.116 17.990 27.396 1.00 0.00 ATOM 422 CA VAL 64 27.627 18.879 26.350 1.00 0.00 ATOM 423 CB VAL 64 26.134 18.641 26.058 1.00 0.00 ATOM 424 CG1 VAL 64 25.641 19.598 24.984 1.00 0.00 ATOM 425 CG2 VAL 64 25.906 17.217 25.575 1.00 0.00 ATOM 426 O VAL 64 27.305 20.707 27.877 1.00 0.00 ATOM 427 C VAL 64 27.825 20.316 26.829 1.00 0.00 ATOM 428 N ALA 65 28.594 21.093 26.072 1.00 0.00 ATOM 429 CA ALA 65 28.849 22.486 26.420 1.00 0.00 ATOM 430 CB ALA 65 30.151 22.609 27.196 1.00 0.00 ATOM 431 O ALA 65 29.073 22.802 24.048 1.00 0.00 ATOM 432 C ALA 65 28.951 23.331 25.155 1.00 0.00 ATOM 433 N LEU 66 28.897 24.648 25.323 1.00 0.00 ATOM 434 CA LEU 66 28.968 25.565 24.191 1.00 0.00 ATOM 435 CB LEU 66 27.664 26.354 24.058 1.00 0.00 ATOM 436 CG LEU 66 26.396 25.533 23.817 1.00 0.00 ATOM 437 CD1 LEU 66 25.166 26.426 23.837 1.00 0.00 ATOM 438 CD2 LEU 66 26.456 24.835 22.466 1.00 0.00 ATOM 439 O LEU 66 30.261 27.149 25.436 1.00 0.00 ATOM 440 C LEU 66 30.107 26.552 24.369 1.00 0.00 ATOM 441 N PRO 67 30.908 26.726 23.324 1.00 0.00 ATOM 442 CA PRO 67 32.021 27.655 23.400 1.00 0.00 ATOM 443 CB PRO 67 33.259 26.755 23.352 1.00 0.00 ATOM 444 CG PRO 67 32.816 25.553 22.589 1.00 0.00 ATOM 445 CD PRO 67 31.374 25.333 22.955 1.00 0.00 ATOM 446 O PRO 67 31.549 28.280 21.134 1.00 0.00 ATOM 447 C PRO 67 31.987 28.626 22.231 1.00 0.00 ATOM 448 N ILE 68 32.445 29.849 22.475 1.00 0.00 ATOM 449 CA ILE 68 32.483 30.860 21.425 1.00 0.00 ATOM 450 CB ILE 68 32.624 32.277 22.012 1.00 0.00 ATOM 451 CG1 ILE 68 31.414 32.614 22.887 1.00 0.00 ATOM 452 CG2 ILE 68 32.715 33.308 20.896 1.00 0.00 ATOM 453 CD1 ILE 68 31.575 33.889 23.686 1.00 0.00 ATOM 454 O ILE 68 34.813 30.494 20.984 1.00 0.00 ATOM 455 C ILE 68 33.679 30.582 20.517 1.00 0.00 ATOM 456 N ILE 69 33.413 30.422 19.224 1.00 0.00 ATOM 457 CA ILE 69 34.458 30.154 18.240 1.00 0.00 ATOM 458 CB ILE 69 33.965 29.195 17.140 1.00 0.00 ATOM 459 CG1 ILE 69 33.501 27.874 17.755 1.00 0.00 ATOM 460 CG2 ILE 69 35.082 28.902 16.150 1.00 0.00 ATOM 461 CD1 ILE 69 34.580 27.150 18.532 1.00 0.00 ATOM 462 O ILE 69 36.092 31.643 17.279 1.00 0.00 ATOM 463 C ILE 69 34.908 31.452 17.562 1.00 0.00 ATOM 464 N HIS 70 33.956 32.343 17.303 1.00 0.00 ATOM 465 CA HIS 70 34.251 33.630 16.682 1.00 0.00 ATOM 466 CB HIS 70 34.241 33.505 15.157 1.00 0.00 ATOM 467 CG HIS 70 34.627 34.764 14.445 1.00 0.00 ATOM 468 CD2 HIS 70 33.923 35.780 13.678 1.00 0.00 ATOM 469 ND1 HIS 70 35.925 35.225 14.400 1.00 0.00 ATOM 470 CE1 HIS 70 35.958 36.370 13.694 1.00 0.00 ATOM 471 NE2 HIS 70 34.760 36.708 13.257 1.00 0.00 ATOM 472 O HIS 70 32.012 34.280 17.231 1.00 0.00 ATOM 473 C HIS 70 33.185 34.627 17.121 1.00 0.00 ATOM 474 N CYS 71 33.600 35.862 17.369 1.00 0.00 ATOM 475 CA CYS 71 32.672 36.887 17.819 1.00 0.00 ATOM 476 CB CYS 71 32.611 36.922 19.346 1.00 0.00 ATOM 477 SG CYS 71 31.461 38.145 20.020 1.00 0.00 ATOM 478 O CYS 71 34.275 38.637 17.457 1.00 0.00 ATOM 479 C CYS 71 33.110 38.258 17.322 1.00 0.00 ATOM 480 N GLN 72 32.176 38.988 16.720 1.00 0.00 ATOM 481 CA GLN 72 32.453 40.335 16.233 1.00 0.00 ATOM 482 CB GLN 72 32.286 40.398 14.713 1.00 0.00 ATOM 483 CG GLN 72 33.283 39.548 13.942 1.00 0.00 ATOM 484 CD GLN 72 33.098 39.652 12.442 1.00 0.00 ATOM 485 OE1 GLN 72 32.236 40.388 11.961 1.00 0.00 ATOM 486 NE2 GLN 72 33.909 38.910 11.694 1.00 0.00 ATOM 487 O GLN 72 30.247 40.956 16.932 1.00 0.00 ATOM 488 C GLN 72 31.446 41.243 16.925 1.00 0.00 ATOM 489 N ALA 73 31.941 42.316 17.531 1.00 0.00 ATOM 490 CA ALA 73 31.071 43.269 18.203 1.00 0.00 ATOM 491 CB ALA 73 31.314 43.241 19.705 1.00 0.00 ATOM 492 O ALA 73 32.524 45.067 17.557 1.00 0.00 ATOM 493 C ALA 73 31.364 44.670 17.674 1.00 0.00 ATOM 494 N ASP 74 30.314 45.411 17.334 1.00 0.00 ATOM 495 CA ASP 74 30.491 46.778 16.867 1.00 0.00 ATOM 496 CB ASP 74 29.867 46.958 15.483 1.00 0.00 ATOM 497 CG ASP 74 30.660 46.267 14.391 1.00 0.00 ATOM 498 OD1 ASP 74 31.798 45.831 14.669 1.00 0.00 ATOM 499 OD2 ASP 74 30.146 46.163 13.258 1.00 0.00 ATOM 500 O ASP 74 28.642 47.434 18.248 1.00 0.00 ATOM 501 C ASP 74 29.797 47.671 17.886 1.00 0.00 ATOM 502 N PHE 75 30.518 48.680 18.365 1.00 0.00 ATOM 503 CA PHE 75 30.007 49.590 19.382 1.00 0.00 ATOM 504 CB PHE 75 31.073 49.860 20.446 1.00 0.00 ATOM 505 CG PHE 75 31.413 48.661 21.282 1.00 0.00 ATOM 506 CD1 PHE 75 32.460 47.826 20.931 1.00 0.00 ATOM 507 CD2 PHE 75 30.686 48.366 22.422 1.00 0.00 ATOM 508 CE1 PHE 75 32.773 46.723 21.700 1.00 0.00 ATOM 509 CE2 PHE 75 30.999 47.262 23.193 1.00 0.00 ATOM 510 CZ PHE 75 32.037 46.442 22.836 1.00 0.00 ATOM 511 O PHE 75 30.345 51.535 18.021 1.00 0.00 ATOM 512 C PHE 75 29.592 50.934 18.786 1.00 0.00 ATOM 513 N ARG 76 28.407 51.410 19.159 1.00 0.00 ATOM 514 CA ARG 76 27.874 52.674 18.635 1.00 0.00 ATOM 515 CB ARG 76 26.526 52.443 17.948 1.00 0.00 ATOM 516 CG ARG 76 26.620 51.671 16.643 1.00 0.00 ATOM 517 CD ARG 76 25.249 51.482 16.013 1.00 0.00 ATOM 518 NE ARG 76 25.306 50.650 14.813 1.00 0.00 ATOM 519 CZ ARG 76 24.239 50.215 14.153 1.00 0.00 ATOM 520 NH1 ARG 76 24.389 49.464 13.071 1.00 0.00 ATOM 521 NH2 ARG 76 23.023 50.531 14.578 1.00 0.00 ATOM 522 O ARG 76 27.919 54.941 19.444 1.00 0.00 ATOM 523 C ARG 76 27.630 53.762 19.678 1.00 0.00 ATOM 524 N ARG 77 27.071 53.363 20.816 1.00 0.00 ATOM 525 CA ARG 77 26.758 54.301 21.886 1.00 0.00 ATOM 526 CB ARG 77 25.298 54.750 21.798 1.00 0.00 ATOM 527 CG ARG 77 24.952 55.490 20.515 1.00 0.00 ATOM 528 CD ARG 77 25.602 56.864 20.480 1.00 0.00 ATOM 529 NE ARG 77 25.188 57.634 19.310 1.00 0.00 ATOM 530 CZ ARG 77 25.792 57.578 18.127 1.00 0.00 ATOM 531 NH1 ARG 77 25.346 58.315 17.119 1.00 0.00 ATOM 532 NH2 ARG 77 26.842 56.786 17.956 1.00 0.00 ATOM 533 O ARG 77 26.860 52.424 23.374 1.00 0.00 ATOM 534 C ARG 77 26.985 53.640 23.240 1.00 0.00 ATOM 535 N PRO 78 27.307 54.437 24.267 1.00 0.00 ATOM 536 CA PRO 78 27.549 53.879 25.598 1.00 0.00 ATOM 537 CB PRO 78 28.499 54.883 26.253 1.00 0.00 ATOM 538 CG PRO 78 28.084 56.205 25.700 1.00 0.00 ATOM 539 CD PRO 78 27.709 55.958 24.266 1.00 0.00 ATOM 540 O PRO 78 25.277 54.288 26.302 1.00 0.00 ATOM 541 C PRO 78 26.337 53.689 26.503 1.00 0.00 ATOM 542 N ILE 79 26.520 52.831 27.500 1.00 0.00 ATOM 543 CA ILE 79 25.513 52.562 28.519 1.00 0.00 ATOM 544 CB ILE 79 25.247 51.053 28.666 1.00 0.00 ATOM 545 CG1 ILE 79 24.673 50.483 27.365 1.00 0.00 ATOM 546 CG2 ILE 79 24.252 50.792 29.785 1.00 0.00 ATOM 547 CD1 ILE 79 24.597 48.972 27.342 1.00 0.00 ATOM 548 O ILE 79 27.385 53.215 29.857 1.00 0.00 ATOM 549 C ILE 79 26.157 53.159 29.765 1.00 0.00 ATOM 550 N HIS 80 25.354 53.617 30.717 1.00 0.00 ATOM 551 CA HIS 80 25.923 54.198 31.926 1.00 0.00 ATOM 552 CB HIS 80 25.616 55.694 31.998 1.00 0.00 ATOM 553 CG HIS 80 26.228 56.491 30.887 1.00 0.00 ATOM 554 CD2 HIS 80 27.394 57.352 30.747 1.00 0.00 ATOM 555 ND1 HIS 80 25.691 56.537 29.620 1.00 0.00 ATOM 556 CE1 HIS 80 26.456 57.326 28.847 1.00 0.00 ATOM 557 NE2 HIS 80 27.480 57.820 29.517 1.00 0.00 ATOM 558 O HIS 80 24.430 52.772 33.149 1.00 0.00 ATOM 559 C HIS 80 25.373 53.560 33.189 1.00 0.00 ATOM 560 N THR 81 25.981 53.915 34.313 1.00 0.00 ATOM 561 CA THR 81 25.570 53.395 35.607 1.00 0.00 ATOM 562 CB THR 81 26.266 54.142 36.761 1.00 0.00 ATOM 563 CG2 THR 81 25.860 53.546 38.102 1.00 0.00 ATOM 564 OG1 THR 81 27.687 54.033 36.617 1.00 0.00 ATOM 565 O THR 81 23.504 54.621 35.591 1.00 0.00 ATOM 566 C THR 81 24.068 53.541 35.803 1.00 0.00 ATOM 567 N GLY 82 23.434 52.440 36.192 1.00 0.00 ATOM 568 CA GLY 82 22.003 52.372 36.463 1.00 0.00 ATOM 569 O GLY 82 19.847 52.158 35.435 1.00 0.00 ATOM 570 C GLY 82 21.062 52.266 35.262 1.00 0.00 ATOM 571 N ASP 83 21.602 52.291 34.049 1.00 0.00 ATOM 572 CA ASP 83 20.745 52.143 32.871 1.00 0.00 ATOM 573 CB ASP 83 21.557 52.343 31.590 1.00 0.00 ATOM 574 CG ASP 83 21.942 53.792 31.364 1.00 0.00 ATOM 575 OD1 ASP 83 21.413 54.666 32.082 1.00 0.00 ATOM 576 OD2 ASP 83 22.774 54.053 30.470 1.00 0.00 ATOM 577 O ASP 83 20.801 49.791 33.334 1.00 0.00 ATOM 578 C ASP 83 20.148 50.735 32.885 1.00 0.00 ATOM 579 N ALA 84 18.908 50.584 32.425 1.00 0.00 ATOM 580 CA ALA 84 18.323 49.250 32.334 1.00 0.00 ATOM 581 CB ALA 84 16.886 49.266 32.835 1.00 0.00 ATOM 582 O ALA 84 17.836 49.651 30.015 1.00 0.00 ATOM 583 C ALA 84 18.413 48.944 30.847 1.00 0.00 ATOM 584 N LEU 85 19.169 47.910 30.508 1.00 0.00 ATOM 585 CA LEU 85 19.358 47.545 29.111 1.00 0.00 ATOM 586 CB LEU 85 20.825 47.205 28.839 1.00 0.00 ATOM 587 CG LEU 85 21.848 48.290 29.189 1.00 0.00 ATOM 588 CD1 LEU 85 23.263 47.798 28.929 1.00 0.00 ATOM 589 CD2 LEU 85 21.616 49.537 28.348 1.00 0.00 ATOM 590 O LEU 85 17.968 45.644 29.548 1.00 0.00 ATOM 591 C LEU 85 18.535 46.339 28.709 1.00 0.00 ATOM 592 N ALA 86 18.460 46.108 27.403 1.00 0.00 ATOM 593 CA ALA 86 17.768 44.951 26.881 1.00 0.00 ATOM 594 CB ALA 86 16.482 45.372 26.184 1.00 0.00 ATOM 595 O ALA 86 19.217 44.928 24.978 1.00 0.00 ATOM 596 C ALA 86 18.705 44.283 25.898 1.00 0.00 ATOM 597 N MET 87 18.954 42.997 26.107 1.00 0.00 ATOM 598 CA MET 87 19.812 42.248 25.203 1.00 0.00 ATOM 599 CB MET 87 20.715 41.296 25.989 1.00 0.00 ATOM 600 CG MET 87 21.660 40.481 25.121 1.00 0.00 ATOM 601 SD MET 87 22.896 41.497 24.291 1.00 0.00 ATOM 602 CE MET 87 24.002 41.865 25.651 1.00 0.00 ATOM 603 O MET 87 17.947 40.811 24.813 1.00 0.00 ATOM 604 C MET 87 18.842 41.490 24.310 1.00 0.00 ATOM 605 N GLU 88 18.998 41.620 22.996 1.00 0.00 ATOM 606 CA GLU 88 18.126 40.921 22.060 1.00 0.00 ATOM 607 CB GLU 88 17.604 41.884 20.993 1.00 0.00 ATOM 608 CG GLU 88 16.699 41.233 19.958 1.00 0.00 ATOM 609 CD GLU 88 16.210 42.216 18.912 1.00 0.00 ATOM 610 OE1 GLU 88 16.594 43.401 18.985 1.00 0.00 ATOM 611 OE2 GLU 88 15.441 41.799 18.019 1.00 0.00 ATOM 612 O GLU 88 20.052 40.031 20.949 1.00 0.00 ATOM 613 C GLU 88 18.930 39.809 21.396 1.00 0.00 ATOM 614 N LEU 89 18.350 38.616 21.341 1.00 0.00 ATOM 615 CA LEU 89 19.042 37.460 20.782 1.00 0.00 ATOM 616 CB LEU 89 19.453 36.492 21.894 1.00 0.00 ATOM 617 CG LEU 89 20.136 35.197 21.448 1.00 0.00 ATOM 618 CD1 LEU 89 21.522 35.487 20.891 1.00 0.00 ATOM 619 CD2 LEU 89 20.285 34.237 22.618 1.00 0.00 ATOM 620 O LEU 89 17.011 36.426 20.031 1.00 0.00 ATOM 621 C LEU 89 18.198 36.666 19.796 1.00 0.00 ATOM 622 N ARG 90 18.832 36.255 18.699 1.00 0.00 ATOM 623 CA ARG 90 18.183 35.478 17.644 1.00 0.00 ATOM 624 CB ARG 90 17.697 36.398 16.522 1.00 0.00 ATOM 625 CG ARG 90 16.952 35.680 15.409 1.00 0.00 ATOM 626 CD ARG 90 16.404 36.662 14.388 1.00 0.00 ATOM 627 NE ARG 90 15.739 35.985 13.277 1.00 0.00 ATOM 628 CZ ARG 90 15.046 36.607 12.330 1.00 0.00 ATOM 629 NH1 ARG 90 14.476 35.907 11.358 1.00 0.00 ATOM 630 NH2 ARG 90 14.923 37.927 12.357 1.00 0.00 ATOM 631 O ARG 90 20.343 34.816 16.853 1.00 0.00 ATOM 632 C ARG 90 19.183 34.477 17.071 1.00 0.00 ATOM 633 N PRO 91 18.742 33.248 16.830 1.00 0.00 ATOM 634 CA PRO 91 19.618 32.252 16.224 1.00 0.00 ATOM 635 CB PRO 91 19.153 30.929 16.836 1.00 0.00 ATOM 636 CG PRO 91 17.705 31.140 17.125 1.00 0.00 ATOM 637 CD PRO 91 17.544 32.609 17.402 1.00 0.00 ATOM 638 O PRO 91 18.259 32.078 14.255 1.00 0.00 ATOM 639 C PRO 91 19.360 32.369 14.727 1.00 0.00 ATOM 640 N GLU 92 20.367 32.815 13.984 1.00 0.00 ATOM 641 CA GLU 92 20.229 32.996 12.547 1.00 0.00 ATOM 642 CB GLU 92 21.030 34.212 12.080 1.00 0.00 ATOM 643 CG GLU 92 20.596 35.522 12.717 1.00 0.00 ATOM 644 CD GLU 92 19.242 35.991 12.219 1.00 0.00 ATOM 645 OE1 GLU 92 18.779 35.476 11.181 1.00 0.00 ATOM 646 OE2 GLU 92 18.644 36.875 12.870 1.00 0.00 ATOM 647 O GLU 92 20.356 31.716 10.529 1.00 0.00 ATOM 648 C GLU 92 20.713 31.821 11.702 1.00 0.00 ATOM 649 N ARG 93 21.519 30.943 12.291 1.00 0.00 ATOM 650 CA ARG 93 22.038 29.783 11.569 1.00 0.00 ATOM 651 CB ARG 93 23.361 30.127 10.882 1.00 0.00 ATOM 652 CG ARG 93 23.881 29.040 9.956 1.00 0.00 ATOM 653 CD ARG 93 25.150 29.481 9.244 1.00 0.00 ATOM 654 NE ARG 93 25.732 28.404 8.445 1.00 0.00 ATOM 655 CZ ARG 93 26.640 28.588 7.493 1.00 0.00 ATOM 656 NH1 ARG 93 27.113 27.550 6.818 1.00 0.00 ATOM 657 NH2 ARG 93 27.073 29.811 7.218 1.00 0.00 ATOM 658 O ARG 93 22.771 28.781 13.621 1.00 0.00 ATOM 659 C ARG 93 22.291 28.605 12.499 1.00 0.00 ATOM 660 N LEU 94 21.963 27.407 12.023 1.00 0.00 ATOM 661 CA LEU 94 22.174 26.181 12.786 1.00 0.00 ATOM 662 CB LEU 94 20.848 25.660 13.341 1.00 0.00 ATOM 663 CG LEU 94 20.909 24.348 14.125 1.00 0.00 ATOM 664 CD1 LEU 94 21.753 24.512 15.380 1.00 0.00 ATOM 665 CD2 LEU 94 19.515 23.907 14.545 1.00 0.00 ATOM 666 O LEU 94 22.198 24.759 10.859 1.00 0.00 ATOM 667 C LEU 94 22.782 25.121 11.881 1.00 0.00 ATOM 668 N ASN 95 23.958 24.633 12.253 1.00 0.00 ATOM 669 CA ASN 95 24.627 23.602 11.476 1.00 0.00 ATOM 670 CB ASN 95 25.967 24.116 10.945 1.00 0.00 ATOM 671 CG ASN 95 25.806 25.280 9.986 1.00 0.00 ATOM 672 ND2 ASN 95 24.839 25.172 9.083 1.00 0.00 ATOM 673 OD1 ASN 95 26.543 26.264 10.059 1.00 0.00 ATOM 674 O ASN 95 24.435 22.324 13.488 1.00 0.00 ATOM 675 C ASN 95 24.883 22.383 12.343 1.00 0.00 ATOM 676 N PRO 96 25.604 21.416 11.790 1.00 0.00 ATOM 677 CA PRO 96 25.900 20.197 12.514 1.00 0.00 ATOM 678 CB PRO 96 27.070 19.582 11.743 1.00 0.00 ATOM 679 CG PRO 96 26.875 20.043 10.338 1.00 0.00 ATOM 680 CD PRO 96 26.392 21.464 10.429 1.00 0.00 ATOM 681 O PRO 96 25.549 19.999 14.876 1.00 0.00 ATOM 682 C PRO 96 26.291 20.385 13.969 1.00 0.00 ATOM 683 N ASN 97 27.454 20.988 14.193 1.00 0.00 ATOM 684 CA ASN 97 27.953 21.192 15.549 1.00 0.00 ATOM 685 CB ASN 97 29.406 20.726 15.660 1.00 0.00 ATOM 686 CG ASN 97 30.351 21.560 14.818 1.00 0.00 ATOM 687 ND2 ASN 97 31.635 21.224 14.864 1.00 0.00 ATOM 688 OD1 ASN 97 29.931 22.494 14.136 1.00 0.00 ATOM 689 O ASN 97 28.405 22.939 17.116 1.00 0.00 ATOM 690 C ASN 97 27.932 22.640 16.019 1.00 0.00 ATOM 691 N SER 98 27.387 23.542 15.212 1.00 0.00 ATOM 692 CA SER 98 27.384 24.938 15.616 1.00 0.00 ATOM 693 CB SER 98 28.574 25.677 15.002 1.00 0.00 ATOM 694 OG SER 98 28.463 25.739 13.590 1.00 0.00 ATOM 695 O SER 98 25.303 25.264 14.457 1.00 0.00 ATOM 696 C SER 98 26.156 25.730 15.215 1.00 0.00 ATOM 697 N PHE 99 26.078 26.943 15.752 1.00 0.00 ATOM 698 CA PHE 99 24.986 27.848 15.455 1.00 0.00 ATOM 699 CB PHE 99 23.846 27.659 16.458 1.00 0.00 ATOM 700 CG PHE 99 24.222 27.991 17.874 1.00 0.00 ATOM 701 CD1 PHE 99 24.018 29.263 18.379 1.00 0.00 ATOM 702 CD2 PHE 99 24.780 27.032 18.699 1.00 0.00 ATOM 703 CE1 PHE 99 24.363 29.569 19.682 1.00 0.00 ATOM 704 CE2 PHE 99 25.128 27.338 20.002 1.00 0.00 ATOM 705 CZ PHE 99 24.921 28.599 20.494 1.00 0.00 ATOM 706 O PHE 99 26.477 29.568 16.230 1.00 0.00 ATOM 707 C PHE 99 25.492 29.278 15.538 1.00 0.00 ATOM 708 N GLN 100 24.828 30.166 14.810 1.00 0.00 ATOM 709 CA GLN 100 25.205 31.564 14.786 1.00 0.00 ATOM 710 CB GLN 100 25.397 32.042 13.346 1.00 0.00 ATOM 711 CG GLN 100 26.520 31.337 12.601 1.00 0.00 ATOM 712 CD GLN 100 27.883 31.617 13.202 1.00 0.00 ATOM 713 OE1 GLN 100 28.189 32.753 13.568 1.00 0.00 ATOM 714 NE2 GLN 100 28.707 30.582 13.305 1.00 0.00 ATOM 715 O GLN 100 22.956 32.380 15.056 1.00 0.00 ATOM 716 C GLN 100 24.129 32.423 15.437 1.00 0.00 ATOM 717 N VAL 101 24.546 33.193 16.434 1.00 0.00 ATOM 718 CA VAL 101 23.651 34.083 17.152 1.00 0.00 ATOM 719 CB VAL 101 23.932 34.067 18.665 1.00 0.00 ATOM 720 CG1 VAL 101 23.035 35.062 19.385 1.00 0.00 ATOM 721 CG2 VAL 101 23.673 32.684 19.241 1.00 0.00 ATOM 722 O VAL 101 24.967 35.907 16.329 1.00 0.00 ATOM 723 C VAL 101 23.845 35.498 16.632 1.00 0.00 ATOM 724 N HIS 102 22.748 36.230 16.520 1.00 0.00 ATOM 725 CA HIS 102 22.791 37.625 16.115 1.00 0.00 ATOM 726 CB HIS 102 21.963 37.841 14.847 1.00 0.00 ATOM 727 CG HIS 102 21.944 39.260 14.374 1.00 0.00 ATOM 728 CD2 HIS 102 20.942 40.314 14.293 1.00 0.00 ATOM 729 ND1 HIS 102 23.056 39.887 13.855 1.00 0.00 ATOM 730 CE1 HIS 102 22.730 41.149 13.520 1.00 0.00 ATOM 731 NE2 HIS 102 21.463 41.411 13.779 1.00 0.00 ATOM 732 O HIS 102 21.062 38.026 17.728 1.00 0.00 ATOM 733 C HIS 102 22.194 38.315 17.336 1.00 0.00 ATOM 734 N PHE 103 22.968 39.195 17.959 1.00 0.00 ATOM 735 CA PHE 103 22.511 39.870 19.164 1.00 0.00 ATOM 736 CB PHE 103 23.238 39.321 20.393 1.00 0.00 ATOM 737 CG PHE 103 24.717 39.589 20.393 1.00 0.00 ATOM 738 CD1 PHE 103 25.227 40.738 20.972 1.00 0.00 ATOM 739 CD2 PHE 103 25.597 38.692 19.813 1.00 0.00 ATOM 740 CE1 PHE 103 26.586 40.984 20.972 1.00 0.00 ATOM 741 CE2 PHE 103 26.956 38.939 19.812 1.00 0.00 ATOM 742 CZ PHE 103 27.453 40.079 20.389 1.00 0.00 ATOM 743 O PHE 103 23.588 41.851 18.351 1.00 0.00 ATOM 744 C PHE 103 22.759 41.368 19.120 1.00 0.00 ATOM 745 N GLU 104 22.027 42.100 19.951 1.00 0.00 ATOM 746 CA GLU 104 22.192 43.538 20.038 1.00 0.00 ATOM 747 CB GLU 104 21.303 44.241 19.009 1.00 0.00 ATOM 748 CG GLU 104 19.814 44.031 19.230 1.00 0.00 ATOM 749 CD GLU 104 18.969 44.655 18.134 1.00 0.00 ATOM 750 OE1 GLU 104 19.548 45.265 17.211 1.00 0.00 ATOM 751 OE2 GLU 104 17.728 44.532 18.201 1.00 0.00 ATOM 752 O GLU 104 21.043 43.361 22.137 1.00 0.00 ATOM 753 C GLU 104 21.805 44.017 21.426 1.00 0.00 ATOM 754 N PHE 105 22.365 45.147 21.824 1.00 0.00 ATOM 755 CA PHE 105 22.070 45.705 23.130 1.00 0.00 ATOM 756 CB PHE 105 23.338 45.777 23.982 1.00 0.00 ATOM 757 CG PHE 105 23.929 44.435 24.306 1.00 0.00 ATOM 758 CD1 PHE 105 24.894 43.873 23.488 1.00 0.00 ATOM 759 CD2 PHE 105 23.519 43.734 25.426 1.00 0.00 ATOM 760 CE1 PHE 105 25.438 42.637 23.786 1.00 0.00 ATOM 761 CE2 PHE 105 24.063 42.498 25.723 1.00 0.00 ATOM 762 CZ PHE 105 25.018 41.950 24.908 1.00 0.00 ATOM 763 O PHE 105 22.102 47.924 22.220 1.00 0.00 ATOM 764 C PHE 105 21.506 47.106 22.923 1.00 0.00 ATOM 765 N ARG 106 20.350 47.363 23.520 1.00 0.00 ATOM 766 CA ARG 106 19.699 48.666 23.403 1.00 0.00 ATOM 767 CB ARG 106 18.424 48.554 22.567 1.00 0.00 ATOM 768 CG ARG 106 18.661 48.149 21.121 1.00 0.00 ATOM 769 CD ARG 106 17.349 47.985 20.370 1.00 0.00 ATOM 770 NE ARG 106 17.562 47.630 18.970 1.00 0.00 ATOM 771 CZ ARG 106 16.583 47.422 18.094 1.00 0.00 ATOM 772 NH1 ARG 106 16.871 47.101 16.841 1.00 0.00 ATOM 773 NH2 ARG 106 15.318 47.534 18.477 1.00 0.00 ATOM 774 O ARG 106 19.256 48.394 25.737 1.00 0.00 ATOM 775 C ARG 106 19.338 49.179 24.790 1.00 0.00 ATOM 776 N CYS 107 19.136 50.490 24.920 1.00 0.00 ATOM 777 CA CYS 107 18.748 51.039 26.214 1.00 0.00 ATOM 778 CB CYS 107 19.459 52.372 26.464 1.00 0.00 ATOM 779 SG CYS 107 21.255 52.245 26.614 1.00 0.00 ATOM 780 O CYS 107 16.486 50.841 25.418 1.00 0.00 ATOM 781 C CYS 107 17.239 51.288 26.287 1.00 0.00 ATOM 782 N GLU 108 15.406 53.661 25.541 1.00 0.00 ATOM 783 CA GLU 108 14.783 54.398 24.440 1.00 0.00 ATOM 784 CB GLU 108 15.402 55.790 24.309 1.00 0.00 ATOM 785 CG GLU 108 14.817 56.626 23.182 1.00 0.00 ATOM 786 CD GLU 108 15.081 58.108 23.359 1.00 0.00 ATOM 787 OE1 GLU 108 15.936 58.463 24.197 1.00 0.00 ATOM 788 OE2 GLU 108 14.434 58.915 22.659 1.00 0.00 ATOM 789 O GLU 108 14.602 54.183 22.053 1.00 0.00 ATOM 790 C GLU 108 14.969 53.673 23.112 1.00 0.00 ATOM 791 N GLU 109 15.535 52.474 23.202 1.00 0.00 ATOM 792 CA GLU 109 15.823 51.608 22.065 1.00 0.00 ATOM 793 CB GLU 109 14.607 51.513 21.143 1.00 0.00 ATOM 794 CG GLU 109 13.367 50.939 21.808 1.00 0.00 ATOM 795 CD GLU 109 12.202 50.796 20.847 1.00 0.00 ATOM 796 OE1 GLU 109 12.373 51.125 19.654 1.00 0.00 ATOM 797 OE2 GLU 109 11.120 50.356 21.286 1.00 0.00 ATOM 798 O GLU 109 17.093 51.788 20.036 1.00 0.00 ATOM 799 C GLU 109 16.994 52.109 21.220 1.00 0.00 ATOM 800 N GLN 110 17.877 52.896 21.829 1.00 0.00 ATOM 801 CA GLN 110 19.056 53.378 21.122 1.00 0.00 ATOM 802 CB GLN 110 19.730 54.503 21.909 1.00 0.00 ATOM 803 CG GLN 110 20.949 55.097 21.221 1.00 0.00 ATOM 804 CD GLN 110 21.483 56.321 21.939 1.00 0.00 ATOM 805 OE1 GLN 110 20.925 56.756 22.947 1.00 0.00 ATOM 806 NE2 GLN 110 22.570 56.883 21.421 1.00 0.00 ATOM 807 O GLN 110 20.153 51.428 21.988 1.00 0.00 ATOM 808 C GLN 110 19.965 52.152 21.009 1.00 0.00 ATOM 809 N ILE 111 20.508 51.908 19.821 1.00 0.00 ATOM 810 CA ILE 111 21.387 50.757 19.618 1.00 0.00 ATOM 811 CB ILE 111 21.545 50.423 18.122 1.00 0.00 ATOM 812 CG1 ILE 111 20.188 50.062 17.511 1.00 0.00 ATOM 813 CG2 ILE 111 22.486 49.243 17.936 1.00 0.00 ATOM 814 CD1 ILE 111 20.211 49.940 16.004 1.00 0.00 ATOM 815 O ILE 111 23.491 51.899 19.658 1.00 0.00 ATOM 816 C ILE 111 22.764 51.059 20.190 1.00 0.00 ATOM 817 N ALA 112 23.124 50.380 21.275 1.00 0.00 ATOM 818 CA ALA 112 24.423 50.604 21.908 1.00 0.00 ATOM 819 CB ALA 112 24.394 50.141 23.356 1.00 0.00 ATOM 820 O ALA 112 26.602 50.357 20.935 1.00 0.00 ATOM 821 C ALA 112 25.517 49.831 21.178 1.00 0.00 ATOM 822 N ALA 113 25.223 48.580 20.848 1.00 0.00 ATOM 823 CA ALA 113 26.153 47.733 20.114 1.00 0.00 ATOM 824 CB ALA 113 27.307 47.312 21.011 1.00 0.00 ATOM 825 O ALA 113 24.337 46.160 20.008 1.00 0.00 ATOM 826 C ALA 113 25.460 46.474 19.606 1.00 0.00 ATOM 827 N HIS 114 26.111 45.771 18.686 1.00 0.00 ATOM 828 CA HIS 114 25.548 44.548 18.135 1.00 0.00 ATOM 829 CB HIS 114 24.873 44.827 16.791 1.00 0.00 ATOM 830 CG HIS 114 25.817 45.297 15.728 1.00 0.00 ATOM 831 CD2 HIS 114 26.274 46.591 15.243 1.00 0.00 ATOM 832 ND1 HIS 114 26.508 44.430 14.910 1.00 0.00 ATOM 833 CE1 HIS 114 27.270 45.142 14.060 1.00 0.00 ATOM 834 NE2 HIS 114 27.135 46.440 14.255 1.00 0.00 ATOM 835 O HIS 114 27.832 43.900 17.799 1.00 0.00 ATOM 836 C HIS 114 26.659 43.537 17.933 1.00 0.00 ATOM 837 N ALA 115 26.290 42.267 17.909 1.00 0.00 ATOM 838 CA ALA 115 27.282 41.223 17.746 1.00 0.00 ATOM 839 CB ALA 115 27.717 40.689 19.103 1.00 0.00 ATOM 840 O ALA 115 25.584 39.784 16.850 1.00 0.00 ATOM 841 C ALA 115 26.785 40.035 16.944 1.00 0.00 ATOM 842 N LEU 116 27.733 39.323 16.349 1.00 0.00 ATOM 843 CA LEU 116 27.447 38.102 15.616 1.00 0.00 ATOM 844 CB LEU 116 27.798 38.271 14.136 1.00 0.00 ATOM 845 CG LEU 116 27.605 37.039 13.249 1.00 0.00 ATOM 846 CD1 LEU 116 26.137 36.646 13.186 1.00 0.00 ATOM 847 CD2 LEU 116 28.084 37.317 11.833 1.00 0.00 ATOM 848 O LEU 116 29.562 37.310 16.419 1.00 0.00 ATOM 849 C LEU 116 28.346 37.105 16.328 1.00 0.00 ATOM 850 N ILE 117 27.750 36.042 16.849 1.00 0.00 ATOM 851 CA ILE 117 28.504 35.059 17.605 1.00 0.00 ATOM 852 CB ILE 117 28.028 34.988 19.068 1.00 0.00 ATOM 853 CG1 ILE 117 28.211 36.343 19.754 1.00 0.00 ATOM 854 CG2 ILE 117 28.827 33.945 19.837 1.00 0.00 ATOM 855 CD1 ILE 117 27.587 36.417 21.132 1.00 0.00 ATOM 856 O ILE 117 27.304 33.092 16.950 1.00 0.00 ATOM 857 C ILE 117 28.399 33.645 17.064 1.00 0.00 ATOM 858 N ARG 118 29.545 33.068 16.720 1.00 0.00 ATOM 859 CA ARG 118 29.580 31.695 16.237 1.00 0.00 ATOM 860 CB ARG 118 30.685 31.522 15.194 1.00 0.00 ATOM 861 CG ARG 118 30.730 30.140 14.561 1.00 0.00 ATOM 862 CD ARG 118 31.826 30.049 13.513 1.00 0.00 ATOM 863 NE ARG 118 31.907 28.716 12.920 1.00 0.00 ATOM 864 CZ ARG 118 32.933 28.280 12.196 1.00 0.00 ATOM 865 NH1 ARG 118 32.919 27.051 11.698 1.00 0.00 ATOM 866 NH2 ARG 118 33.970 29.075 11.973 1.00 0.00 ATOM 867 O ARG 118 30.906 30.924 18.077 1.00 0.00 ATOM 868 C ARG 118 29.850 30.818 17.454 1.00 0.00 ATOM 869 N HIS 119 28.890 29.961 17.787 1.00 0.00 ATOM 870 CA HIS 119 29.009 29.077 18.938 1.00 0.00 ATOM 871 CB HIS 119 27.806 29.244 19.868 1.00 0.00 ATOM 872 CG HIS 119 27.726 30.591 20.516 1.00 0.00 ATOM 873 CD2 HIS 119 28.466 31.840 20.409 1.00 0.00 ATOM 874 ND1 HIS 119 26.783 30.904 21.471 1.00 0.00 ATOM 875 CE1 HIS 119 26.961 32.178 21.862 1.00 0.00 ATOM 876 NE2 HIS 119 27.970 32.746 21.229 1.00 0.00 ATOM 877 O HIS 119 28.264 27.156 17.704 1.00 0.00 ATOM 878 C HIS 119 29.073 27.617 18.511 1.00 0.00 ATOM 879 N LEU 120 30.038 26.891 19.062 1.00 0.00 ATOM 880 CA LEU 120 30.207 25.484 18.728 1.00 0.00 ATOM 881 CB LEU 120 31.647 25.205 18.298 1.00 0.00 ATOM 882 CG LEU 120 31.973 23.759 17.916 1.00 0.00 ATOM 883 CD1 LEU 120 31.234 23.360 16.648 1.00 0.00 ATOM 884 CD2 LEU 120 33.464 23.591 17.670 1.00 0.00 ATOM 885 O LEU 120 30.272 24.874 21.050 1.00 0.00 ATOM 886 C LEU 120 29.891 24.584 19.916 1.00 0.00 ATOM 887 N ALA 121 29.177 23.495 19.652 1.00 0.00 ATOM 888 CA ALA 121 28.837 22.546 20.699 1.00 0.00 ATOM 889 CB ALA 121 27.609 21.739 20.305 1.00 0.00 ATOM 890 O ALA 121 30.615 21.169 19.875 1.00 0.00 ATOM 891 C ALA 121 30.043 21.636 20.865 1.00 0.00 ATOM 892 N ILE 122 30.439 21.380 22.105 1.00 0.00 ATOM 893 CA ILE 122 31.598 20.534 22.338 1.00 0.00 ATOM 894 CB ILE 122 32.863 21.370 22.603 1.00 0.00 ATOM 895 CG1 ILE 122 32.668 22.257 23.835 1.00 0.00 ATOM 896 CG2 ILE 122 33.173 22.262 21.411 1.00 0.00 ATOM 897 CD1 ILE 122 33.929 22.959 24.287 1.00 0.00 ATOM 898 O ILE 122 30.555 19.762 24.362 1.00 0.00 ATOM 899 C ILE 122 31.450 19.605 23.527 1.00 0.00 ATOM 900 N ASN 123 32.338 18.619 23.571 1.00 0.00 ATOM 901 CA ASN 123 32.417 17.684 24.675 1.00 0.00 ATOM 902 CB ASN 123 32.903 16.317 24.187 1.00 0.00 ATOM 903 CG ASN 123 32.907 15.274 25.287 1.00 0.00 ATOM 904 ND2 ASN 123 32.877 14.005 24.895 1.00 0.00 ATOM 905 OD1 ASN 123 32.935 15.606 26.470 1.00 0.00 ATOM 906 O ASN 123 34.595 18.532 25.208 1.00 0.00 ATOM 907 C ASN 123 33.424 18.415 25.562 1.00 0.00 ATOM 908 N ALA 124 32.974 18.927 26.719 1.00 0.00 ATOM 909 CA ALA 124 33.809 19.666 27.671 1.00 0.00 ATOM 910 CB ALA 124 33.036 19.947 28.950 1.00 0.00 ATOM 911 O ALA 124 36.105 19.693 28.354 1.00 0.00 ATOM 912 C ALA 124 35.103 19.009 28.140 1.00 0.00 ATOM 913 N GLN 125 35.086 17.688 28.299 1.00 0.00 ATOM 914 CA GLN 125 36.266 16.973 28.770 1.00 0.00 ATOM 915 CB GLN 125 35.924 15.510 29.064 1.00 0.00 ATOM 916 CG GLN 125 35.031 15.314 30.276 1.00 0.00 ATOM 917 CD GLN 125 34.664 13.860 30.498 1.00 0.00 ATOM 918 OE1 GLN 125 35.042 12.986 29.717 1.00 0.00 ATOM 919 NE2 GLN 125 33.920 13.594 31.567 1.00 0.00 ATOM 920 O GLN 125 38.580 17.006 28.167 1.00 0.00 ATOM 921 C GLN 125 37.415 16.962 27.775 1.00 0.00 ATOM 922 N THR 126 37.091 16.904 26.489 1.00 0.00 ATOM 923 CA THR 126 38.118 16.892 25.453 1.00 0.00 ATOM 924 CB THR 126 37.889 15.748 24.446 1.00 0.00 ATOM 925 CG2 THR 126 37.905 14.403 25.155 1.00 0.00 ATOM 926 OG1 THR 126 36.620 15.920 23.803 1.00 0.00 ATOM 927 O THR 126 39.003 18.434 23.843 1.00 0.00 ATOM 928 C THR 126 38.122 18.199 24.672 1.00 0.00 ATOM 929 N ARG 127 37.135 19.045 24.945 1.00 0.00 ATOM 930 CA ARG 127 37.006 20.316 24.247 1.00 0.00 ATOM 931 CB ARG 127 38.165 21.247 24.611 1.00 0.00 ATOM 932 CG ARG 127 38.193 21.661 26.073 1.00 0.00 ATOM 933 CD ARG 127 39.288 22.679 26.338 1.00 0.00 ATOM 934 NE ARG 127 39.455 22.947 27.765 1.00 0.00 ATOM 935 CZ ARG 127 40.379 23.757 28.270 1.00 0.00 ATOM 936 NH1 ARG 127 40.456 23.939 29.581 1.00 0.00 ATOM 937 NH2 ARG 127 41.225 24.383 27.464 1.00 0.00 ATOM 938 O ARG 127 37.630 20.818 21.982 1.00 0.00 ATOM 939 C ARG 127 37.020 20.068 22.740 1.00 0.00 ATOM 940 N HIS 128 36.350 19.002 22.313 1.00 0.00 ATOM 941 CA HIS 128 36.271 18.670 20.896 1.00 0.00 ATOM 942 CB HIS 128 36.765 17.242 20.651 1.00 0.00 ATOM 943 CG HIS 128 36.762 16.841 19.209 1.00 0.00 ATOM 944 CD2 HIS 128 37.722 16.892 18.115 1.00 0.00 ATOM 945 ND1 HIS 128 35.668 16.268 18.598 1.00 0.00 ATOM 946 CE1 HIS 128 35.966 16.020 17.310 1.00 0.00 ATOM 947 NE2 HIS 128 37.197 16.391 17.014 1.00 0.00 ATOM 948 O HIS 128 33.904 18.354 21.144 1.00 0.00 ATOM 949 C HIS 128 34.820 18.785 20.443 1.00 0.00 ATOM 950 N ARG 129 34.590 19.372 19.258 1.00 0.00 ATOM 951 CA ARG 129 33.234 19.541 18.730 1.00 0.00 ATOM 952 CB ARG 129 33.280 20.093 17.304 1.00 0.00 ATOM 953 CG ARG 129 33.842 19.122 16.279 1.00 0.00 ATOM 954 CD ARG 129 34.046 19.796 14.932 1.00 0.00 ATOM 955 NE ARG 129 34.503 18.855 13.913 1.00 0.00 ATOM 956 CZ ARG 129 35.762 18.449 13.782 1.00 0.00 ATOM 957 NH1 ARG 129 36.085 17.590 12.824 1.00 0.00 ATOM 958 NH2 ARG 129 36.694 18.902 14.609 1.00 0.00 ATOM 959 O ARG 129 32.928 17.175 18.430 1.00 0.00 ATOM 960 C ARG 129 32.404 18.265 18.658 1.00 0.00 ATOM 961 N CYS 130 31.101 18.415 18.865 1.00 0.00 ATOM 962 CA CYS 130 30.178 17.294 18.784 1.00 0.00 ATOM 963 CB CYS 130 29.937 16.696 20.171 1.00 0.00 ATOM 964 SG CYS 130 29.159 17.830 21.347 1.00 0.00 ATOM 965 O CYS 130 28.570 19.013 18.323 1.00 0.00 ATOM 966 C CYS 130 28.874 17.820 18.212 1.00 0.00 ATOM 967 N ALA 131 28.110 16.932 17.587 1.00 0.00 ATOM 968 CA ALA 131 26.841 17.314 16.992 1.00 0.00 ATOM 969 CB ALA 131 26.171 16.108 16.353 1.00 0.00 ATOM 970 O ALA 131 25.864 17.402 19.183 1.00 0.00 ATOM 971 C ALA 131 25.905 17.883 18.049 1.00 0.00 ATOM 972 N LEU 132 25.164 18.917 17.678 1.00 0.00 ATOM 973 CA LEU 132 24.216 19.527 18.596 1.00 0.00 ATOM 974 CB LEU 132 23.480 20.684 17.917 1.00 0.00 ATOM 975 CG LEU 132 24.324 21.909 17.563 1.00 0.00 ATOM 976 CD1 LEU 132 23.502 22.920 16.778 1.00 0.00 ATOM 977 CD2 LEU 132 24.839 22.590 18.821 1.00 0.00 ATOM 978 O LEU 132 22.746 17.673 18.203 1.00 0.00 ATOM 979 C LEU 132 23.209 18.467 19.025 1.00 0.00 ATOM 980 N PRO 133 22.864 18.427 20.317 1.00 0.00 ATOM 981 CA PRO 133 21.893 17.425 20.768 1.00 0.00 ATOM 982 CB PRO 133 21.723 17.719 22.259 1.00 0.00 ATOM 983 CG PRO 133 22.993 18.394 22.655 1.00 0.00 ATOM 984 CD PRO 133 23.390 19.252 21.486 1.00 0.00 ATOM 985 O PRO 133 20.205 18.723 19.665 1.00 0.00 ATOM 986 C PRO 133 20.591 17.601 19.992 1.00 0.00 ATOM 987 N GLU 134 19.920 16.496 19.685 1.00 0.00 ATOM 988 CA GLU 134 18.668 16.569 18.946 1.00 0.00 ATOM 989 CB GLU 134 18.164 15.166 18.606 1.00 0.00 ATOM 990 CG GLU 134 19.003 14.440 17.566 1.00 0.00 ATOM 991 CD GLU 134 18.547 13.010 17.345 1.00 0.00 ATOM 992 OE1 GLU 134 17.622 12.565 18.056 1.00 0.00 ATOM 993 OE2 GLU 134 19.115 12.336 16.460 1.00 0.00 ATOM 994 O GLU 134 16.790 18.038 19.221 1.00 0.00 ATOM 995 C GLU 134 17.592 17.277 19.764 1.00 0.00 ATOM 996 N GLY 135 17.582 17.028 21.071 1.00 0.00 ATOM 997 CA GLY 135 16.601 17.646 21.954 1.00 0.00 ATOM 998 O GLY 135 15.670 19.860 21.998 1.00 0.00 ATOM 999 C GLY 135 16.682 19.166 21.874 1.00 0.00 ATOM 1000 N ILE 136 17.891 19.678 21.666 1.00 0.00 ATOM 1001 CA ILE 136 18.105 21.119 21.570 1.00 0.00 ATOM 1002 CB ILE 136 19.584 21.487 21.794 1.00 0.00 ATOM 1003 CG1 ILE 136 20.000 21.171 23.232 1.00 0.00 ATOM 1004 CG2 ILE 136 19.808 22.970 21.542 1.00 0.00 ATOM 1005 CD1 ILE 136 21.491 21.271 23.470 1.00 0.00 ATOM 1006 O ILE 136 17.110 22.712 20.076 1.00 0.00 ATOM 1007 C ILE 136 17.701 21.635 20.195 1.00 0.00 ATOM 1008 N ASP 137 18.030 20.867 19.162 1.00 0.00 ATOM 1009 CA ASP 137 17.682 21.238 17.796 1.00 0.00 ATOM 1010 CB ASP 137 18.268 20.233 16.802 1.00 0.00 ATOM 1011 CG ASP 137 19.772 20.370 16.654 1.00 0.00 ATOM 1012 OD1 ASP 137 20.325 21.383 17.133 1.00 0.00 ATOM 1013 OD2 ASP 137 20.396 19.465 16.063 1.00 0.00 ATOM 1014 O ASP 137 15.588 22.131 17.020 1.00 0.00 ATOM 1015 C ASP 137 16.159 21.249 17.661 1.00 0.00 ATOM 1016 N ARG 138 15.511 20.265 18.274 1.00 0.00 ATOM 1017 CA ARG 138 14.059 20.147 18.230 1.00 0.00 ATOM 1018 CB ARG 138 13.594 18.940 19.045 1.00 0.00 ATOM 1019 CG ARG 138 13.929 17.598 18.414 1.00 0.00 ATOM 1020 CD ARG 138 13.506 16.445 19.309 1.00 0.00 ATOM 1021 NE ARG 138 13.847 15.148 18.729 1.00 0.00 ATOM 1022 CZ ARG 138 13.653 13.984 19.338 1.00 0.00 ATOM 1023 NH1 ARG 138 13.995 12.854 18.733 1.00 0.00 ATOM 1024 NH2 ARG 138 13.118 13.951 20.551 1.00 0.00 ATOM 1025 O ARG 138 12.375 21.860 18.253 1.00 0.00 ATOM 1026 C ARG 138 13.373 21.386 18.801 1.00 0.00 ATOM 1027 N TRP 139 13.907 21.908 19.901 1.00 0.00 ATOM 1028 CA TRP 139 13.325 23.085 20.535 1.00 0.00 ATOM 1029 CB TRP 139 13.880 23.261 21.950 1.00 0.00 ATOM 1030 CG TRP 139 13.360 22.253 22.928 1.00 0.00 ATOM 1031 CD1 TRP 139 14.036 21.186 23.443 1.00 0.00 ATOM 1032 CD2 TRP 139 12.051 22.219 23.511 1.00 0.00 ATOM 1033 CE2 TRP 139 12.006 21.103 24.370 1.00 0.00 ATOM 1034 CE3 TRP 139 10.913 23.023 23.390 1.00 0.00 ATOM 1035 NE1 TRP 139 13.232 20.487 24.311 1.00 0.00 ATOM 1036 CZ2 TRP 139 10.868 20.770 25.102 1.00 0.00 ATOM 1037 CZ3 TRP 139 9.787 22.688 24.119 1.00 0.00 ATOM 1038 CH2 TRP 139 9.770 21.574 24.965 1.00 0.00 ATOM 1039 O TRP 139 12.788 25.208 19.542 1.00 0.00 ATOM 1040 C TRP 139 13.646 24.344 19.732 1.00 0.00 TER END