PFRMAT TS TARGET T0352 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 We did not get good fold-recognition hits for T0352, and undertaker METHOD seemed incapable of finding a compact packing of the helices, so we METHOD tried using ProteinShop to create a 5-helix bundle. The bundle had METHOD bad clashes and unrealistic loops, so we used undertaker and METHOD ProteinShop alternately to try to clean up the bundle. METHOD METHOD Model 1, try11-opt2, was heavily tweaked using ProteinShop to get the METHOD 5-helix bundle, then optimized with undertaker (mixing in some METHOD gromacs and rosetta sidechain packing to get out of local METHOD minima). There are some buried charges, which is not too METHOD encouraging, though most of the hydrophobics are also buried. METHOD The buried ASP residues are also near a HIS, so there may be a METHOD metal-binding site, though we don't have time to try to create METHOD one. METHOD METHOD Model 2, try5-opt2, is an earlier attempt at a 5-helix bundle, but one METHOD in which the middle helix broke. It broke at a proline, so METHOD this is not really so bad. METHOD METHOD Model 3, try4-opt2, is the best-scoring of our models before trying to use ProteinShop. METHOD METHOD Model 4, try2-opt2.gromacs0.repack-nonPC, isthe model that Rosetta METHOD likes best of the ones it has repacked sidechains for. METHOD METHOD Model 5, try1-opt2, is the fully automatic model. METHOD REMARK 6 REMARK 6 T0352 model 5 Wed Jul 19 22:47:56 2006 MODEL 5 PARENT 1jpa_A 1zd3_A 1sz2_A 1tbm_A 1zv1_A REMARK 7 REMARK 7 ALLPARENTS 1jpa_A 1zd3_A 1sz2_A 1tbm_A 1zv1_A 1jhg_A 1zbo_A REMARK 7 ALLPARENTS 2fur_A 2c4j_A 1vj5_A 2fiy_A 2ahe_A 1ihp 1b4p_A REMARK 7 ALLPARENTS 2esn_A 1m6j_A 1ufa_A 1bd8 1w1o_A 1mzb_A ATOM 1 N MET 1 28.868 27.795 14.640 1.00 0.00 ATOM 2 CA MET 1 28.009 27.484 13.499 1.00 0.00 ATOM 3 CB MET 1 27.444 26.219 13.655 1.00 0.00 ATOM 4 CG MET 1 26.266 25.944 14.127 1.00 0.00 ATOM 5 SD MET 1 25.580 24.410 14.552 1.00 0.00 ATOM 6 CE MET 1 26.674 23.723 15.587 1.00 0.00 ATOM 7 O MET 1 26.329 29.234 13.688 1.00 0.00 ATOM 8 C MET 1 27.190 28.682 12.992 1.00 0.00 ATOM 9 N THR 2 27.470 29.046 11.753 1.00 0.00 ATOM 10 CA THR 2 26.797 30.109 11.048 1.00 0.00 ATOM 11 CB THR 2 27.714 30.873 10.075 1.00 0.00 ATOM 12 CG2 THR 2 28.892 31.481 10.820 1.00 0.00 ATOM 13 OG1 THR 2 28.211 29.975 9.076 1.00 0.00 ATOM 14 O THR 2 24.625 30.411 10.049 1.00 0.00 ATOM 15 C THR 2 25.577 29.650 10.202 1.00 0.00 ATOM 16 N THR 3 25.556 28.416 9.707 1.00 0.00 ATOM 17 CA THR 3 24.429 28.004 8.847 1.00 0.00 ATOM 18 CB THR 3 24.843 26.882 7.877 1.00 0.00 ATOM 19 CG2 THR 3 23.656 26.450 7.028 1.00 0.00 ATOM 20 OG1 THR 3 25.884 27.352 7.012 1.00 0.00 ATOM 21 O THR 3 23.389 26.833 10.672 1.00 0.00 ATOM 22 C THR 3 23.225 27.528 9.668 1.00 0.00 ATOM 23 N HIS 4 22.022 27.904 9.177 1.00 0.00 ATOM 24 CA HIS 4 20.821 27.543 9.926 1.00 0.00 ATOM 25 CB HIS 4 19.623 28.278 9.321 1.00 0.00 ATOM 26 CG HIS 4 18.373 28.170 10.136 1.00 0.00 ATOM 27 CD2 HIS 4 17.064 27.558 9.956 1.00 0.00 ATOM 28 ND1 HIS 4 18.253 28.724 11.394 1.00 0.00 ATOM 29 CE1 HIS 4 17.024 28.462 11.872 1.00 0.00 ATOM 30 NE2 HIS 4 16.306 27.763 11.015 1.00 0.00 ATOM 31 O HIS 4 20.271 25.462 10.984 1.00 0.00 ATOM 32 C HIS 4 20.657 26.029 9.962 1.00 0.00 ATOM 33 N ASP 5 20.942 25.372 8.827 1.00 0.00 ATOM 34 CA ASP 5 20.818 23.924 8.774 1.00 0.00 ATOM 35 CB ASP 5 21.204 23.425 7.381 1.00 0.00 ATOM 36 CG ASP 5 20.124 23.685 6.350 1.00 0.00 ATOM 37 OD1 ASP 5 18.989 24.022 6.748 1.00 0.00 ATOM 38 OD2 ASP 5 20.413 23.553 5.140 1.00 0.00 ATOM 39 O ASP 5 21.371 22.343 10.503 1.00 0.00 ATOM 40 C ASP 5 21.743 23.309 9.828 1.00 0.00 ATOM 41 N ARG 6 22.965 23.837 9.963 1.00 0.00 ATOM 42 CA ARG 6 23.893 23.302 10.945 1.00 0.00 ATOM 43 CB ARG 6 25.265 23.912 10.792 1.00 0.00 ATOM 44 CG ARG 6 25.984 23.390 9.566 1.00 0.00 ATOM 45 CD ARG 6 27.459 23.673 9.629 1.00 0.00 ATOM 46 NE ARG 6 28.124 23.322 8.378 1.00 0.00 ATOM 47 CZ ARG 6 29.295 23.823 8.008 1.00 0.00 ATOM 48 NH1 ARG 6 29.917 24.688 8.798 1.00 0.00 ATOM 49 NH2 ARG 6 29.835 23.474 6.850 1.00 0.00 ATOM 50 O ARG 6 23.498 22.670 13.186 1.00 0.00 ATOM 51 C ARG 6 23.382 23.555 12.351 1.00 0.00 ATOM 52 N VAL 7 22.781 24.720 12.590 1.00 0.00 ATOM 53 CA VAL 7 22.132 24.999 13.856 1.00 0.00 ATOM 54 CB VAL 7 21.568 26.460 13.837 1.00 0.00 ATOM 55 CG1 VAL 7 20.615 26.679 14.997 1.00 0.00 ATOM 56 CG2 VAL 7 22.728 27.472 13.881 1.00 0.00 ATOM 57 O VAL 7 20.934 23.476 15.265 1.00 0.00 ATOM 58 C VAL 7 21.023 23.980 14.144 1.00 0.00 ATOM 59 N ARG 8 20.218 23.637 13.137 1.00 0.00 ATOM 60 CA ARG 8 19.167 22.626 13.334 1.00 0.00 ATOM 61 CB ARG 8 18.420 22.425 12.014 1.00 0.00 ATOM 62 CG ARG 8 17.288 21.414 12.089 1.00 0.00 ATOM 63 CD ARG 8 16.651 21.195 10.726 1.00 0.00 ATOM 64 NE ARG 8 17.575 20.566 9.785 1.00 0.00 ATOM 65 CZ ARG 8 17.869 19.270 9.779 1.00 0.00 ATOM 66 NH1 ARG 8 18.722 18.788 8.885 1.00 0.00 ATOM 67 NH2 ARG 8 17.312 18.460 10.669 1.00 0.00 ATOM 68 O ARG 8 19.293 20.622 14.642 1.00 0.00 ATOM 69 C ARG 8 19.788 21.294 13.742 1.00 0.00 ATOM 70 N LEU 9 20.887 20.906 13.072 1.00 0.00 ATOM 71 CA LEU 9 21.592 19.673 13.411 1.00 0.00 ATOM 72 CB LEU 9 22.812 19.485 12.507 1.00 0.00 ATOM 73 CG LEU 9 22.524 19.136 11.045 1.00 0.00 ATOM 74 CD1 LEU 9 23.804 19.157 10.225 1.00 0.00 ATOM 75 CD2 LEU 9 21.911 17.749 10.934 1.00 0.00 ATOM 76 O LEU 9 22.030 18.690 15.589 1.00 0.00 ATOM 77 C LEU 9 22.090 19.717 14.868 1.00 0.00 ATOM 78 N GLN 10 22.509 20.908 15.320 1.00 0.00 ATOM 79 CA GLN 10 23.044 21.066 16.671 1.00 0.00 ATOM 80 CB GLN 10 23.605 22.477 16.863 1.00 0.00 ATOM 81 CG GLN 10 24.295 22.694 18.201 1.00 0.00 ATOM 82 CD GLN 10 25.512 21.807 18.379 1.00 0.00 ATOM 83 OE1 GLN 10 26.334 21.675 17.472 1.00 0.00 ATOM 84 NE2 GLN 10 25.629 21.195 19.551 1.00 0.00 ATOM 85 O GLN 10 22.203 20.065 18.672 1.00 0.00 ATOM 86 C GLN 10 21.966 20.762 17.686 1.00 0.00 ATOM 87 N LEU 11 20.757 21.315 17.458 1.00 0.00 ATOM 88 CA LEU 11 19.629 21.125 18.352 1.00 0.00 ATOM 89 CB LEU 11 18.405 21.924 17.900 1.00 0.00 ATOM 90 CG LEU 11 17.177 21.856 18.810 1.00 0.00 ATOM 91 CD1 LEU 11 17.504 22.393 20.194 1.00 0.00 ATOM 92 CD2 LEU 11 16.035 22.682 18.236 1.00 0.00 ATOM 93 O LEU 11 18.879 19.143 19.483 1.00 0.00 ATOM 94 C LEU 11 19.198 19.655 18.415 1.00 0.00 ATOM 95 N GLN 12 19.326 18.955 17.294 1.00 0.00 ATOM 96 CA GLN 12 18.998 17.543 17.242 1.00 0.00 ATOM 97 CB GLN 12 18.974 17.042 15.787 1.00 0.00 ATOM 98 CG GLN 12 18.294 17.950 14.761 1.00 0.00 ATOM 99 CD GLN 12 16.927 18.457 15.198 1.00 0.00 ATOM 100 OE1 GLN 12 16.105 17.704 15.724 1.00 0.00 ATOM 101 NE2 GLN 12 16.673 19.740 14.958 1.00 0.00 ATOM 102 O GLN 12 19.652 15.858 18.748 1.00 0.00 ATOM 103 C GLN 12 20.018 16.761 18.035 1.00 0.00 ATOM 104 N ALA 13 21.304 17.101 17.884 1.00 0.00 ATOM 105 CA ALA 13 22.402 16.446 18.636 1.00 0.00 ATOM 106 CB ALA 13 23.743 17.048 18.246 1.00 0.00 ATOM 107 O ALA 13 22.289 15.667 20.899 1.00 0.00 ATOM 108 C ALA 13 22.205 16.637 20.143 1.00 0.00 ATOM 109 N LEU 14 21.902 17.864 20.561 1.00 0.00 ATOM 110 CA LEU 14 21.650 18.171 21.985 1.00 0.00 ATOM 111 CB LEU 14 21.357 19.662 22.168 1.00 0.00 ATOM 112 CG LEU 14 21.060 20.125 23.596 1.00 0.00 ATOM 113 CD1 LEU 14 22.254 19.871 24.502 1.00 0.00 ATOM 114 CD2 LEU 14 20.747 21.613 23.625 1.00 0.00 ATOM 115 O LEU 14 20.536 16.818 23.619 1.00 0.00 ATOM 116 C LEU 14 20.464 17.400 22.536 1.00 0.00 ATOM 117 N GLU 15 19.382 17.376 21.765 1.00 0.00 ATOM 118 CA GLU 15 18.154 16.689 22.169 1.00 0.00 ATOM 119 CB GLU 15 17.055 16.896 21.124 1.00 0.00 ATOM 120 CG GLU 15 16.503 18.312 21.076 1.00 0.00 ATOM 121 CD GLU 15 15.508 18.512 19.951 1.00 0.00 ATOM 122 OE1 GLU 15 15.305 17.564 19.163 1.00 0.00 ATOM 123 OE2 GLU 15 14.931 19.615 19.856 1.00 0.00 ATOM 124 O GLU 15 17.921 14.601 23.292 1.00 0.00 ATOM 125 C GLU 15 18.385 15.204 22.319 1.00 0.00 ATOM 126 N ALA 16 19.082 14.597 21.376 1.00 0.00 ATOM 127 CA ALA 16 19.343 13.158 21.462 1.00 0.00 ATOM 128 CB ALA 16 20.122 12.686 20.244 1.00 0.00 ATOM 129 O ALA 16 19.881 11.887 23.445 1.00 0.00 ATOM 130 C ALA 16 20.161 12.847 22.722 1.00 0.00 ATOM 131 N LEU 17 21.208 13.628 22.978 1.00 0.00 ATOM 132 CA LEU 17 22.011 13.418 24.162 1.00 0.00 ATOM 133 CB LEU 17 23.166 14.373 24.271 1.00 0.00 ATOM 134 CG LEU 17 24.058 14.264 25.515 1.00 0.00 ATOM 135 CD1 LEU 17 24.771 12.916 25.538 1.00 0.00 ATOM 136 CD2 LEU 17 25.067 15.399 25.528 1.00 0.00 ATOM 137 O LEU 17 21.179 12.764 26.352 1.00 0.00 ATOM 138 C LEU 17 21.114 13.561 25.411 1.00 0.00 ATOM 139 N LEU 18 20.287 14.587 25.403 1.00 0.00 ATOM 140 CA LEU 18 19.470 14.901 26.575 1.00 0.00 ATOM 141 CB LEU 18 18.655 16.175 26.337 1.00 0.00 ATOM 142 CG LEU 18 19.445 17.483 26.282 1.00 0.00 ATOM 143 CD1 LEU 18 18.546 18.636 25.862 1.00 0.00 ATOM 144 CD2 LEU 18 20.036 17.812 27.645 1.00 0.00 ATOM 145 O LEU 18 18.224 13.471 28.035 1.00 0.00 ATOM 146 C LEU 18 18.497 13.767 26.878 1.00 0.00 ATOM 147 N ARG 19 17.967 13.134 25.841 1.00 0.00 ATOM 148 CA ARG 19 17.025 12.034 26.021 1.00 0.00 ATOM 149 CB ARG 19 16.385 11.710 24.669 1.00 0.00 ATOM 150 CG ARG 19 15.365 12.770 24.236 1.00 0.00 ATOM 151 CD ARG 19 14.915 12.572 22.779 1.00 0.00 ATOM 152 NE ARG 19 13.826 13.480 22.449 1.00 0.00 ATOM 153 CZ ARG 19 13.542 13.996 21.285 1.00 0.00 ATOM 154 NH1 ARG 19 14.239 13.669 20.204 1.00 0.00 ATOM 155 NH2 ARG 19 12.564 14.852 21.193 1.00 0.00 ATOM 156 O ARG 19 17.100 10.213 27.587 1.00 0.00 ATOM 157 C ARG 19 17.696 10.874 26.735 1.00 0.00 ATOM 158 N GLU 20 18.966 10.624 26.417 1.00 0.00 ATOM 159 CA GLU 20 19.693 9.529 27.055 1.00 0.00 ATOM 160 CB GLU 20 21.104 9.502 26.464 1.00 0.00 ATOM 161 CG GLU 20 21.162 9.035 25.018 1.00 0.00 ATOM 162 CD GLU 20 22.560 9.109 24.437 1.00 0.00 ATOM 163 OE1 GLU 20 23.471 9.593 25.142 1.00 0.00 ATOM 164 OE2 GLU 20 22.745 8.684 23.277 1.00 0.00 ATOM 165 O GLU 20 19.873 8.727 29.313 1.00 0.00 ATOM 166 C GLU 20 19.813 9.709 28.569 1.00 0.00 ATOM 167 N HIS 21 19.815 10.966 29.021 1.00 0.00 ATOM 168 CA HIS 21 20.021 11.307 30.435 1.00 0.00 ATOM 169 CB HIS 21 21.209 12.260 30.588 1.00 0.00 ATOM 170 CG HIS 21 22.510 11.680 30.131 1.00 0.00 ATOM 171 CD2 HIS 21 23.390 11.876 28.989 1.00 0.00 ATOM 172 ND1 HIS 21 23.186 10.713 30.844 1.00 0.00 ATOM 173 CE1 HIS 21 24.316 10.395 30.187 1.00 0.00 ATOM 174 NE2 HIS 21 24.444 11.088 29.072 1.00 0.00 ATOM 175 O HIS 21 18.998 12.626 32.163 1.00 0.00 ATOM 176 C HIS 21 18.837 11.995 31.113 1.00 0.00 ATOM 177 N GLN 22 17.653 11.868 30.519 1.00 0.00 ATOM 178 CA GLN 22 16.438 12.429 31.112 1.00 0.00 ATOM 179 CB GLN 22 15.494 11.386 31.691 1.00 0.00 ATOM 180 CG GLN 22 15.383 10.102 30.940 1.00 0.00 ATOM 181 CD GLN 22 16.464 9.113 31.304 1.00 0.00 ATOM 182 OE1 GLN 22 17.507 9.089 30.667 1.00 0.00 ATOM 183 NE2 GLN 22 16.220 8.280 32.332 1.00 0.00 ATOM 184 O GLN 22 16.219 14.443 32.424 1.00 0.00 ATOM 185 C GLN 22 16.589 13.939 31.367 1.00 0.00 ATOM 186 N HIS 23 17.144 14.658 30.389 1.00 0.00 ATOM 187 CA HIS 23 17.347 16.107 30.517 1.00 0.00 ATOM 188 CB HIS 23 18.795 16.484 30.197 1.00 0.00 ATOM 189 CG HIS 23 19.784 15.995 31.209 1.00 0.00 ATOM 190 CD2 HIS 23 19.704 15.395 32.533 1.00 0.00 ATOM 191 ND1 HIS 23 21.146 16.048 31.005 1.00 0.00 ATOM 192 CE1 HIS 23 21.770 15.540 32.084 1.00 0.00 ATOM 193 NE2 HIS 23 20.911 15.147 33.003 1.00 0.00 ATOM 194 O HIS 23 16.849 17.949 29.032 1.00 0.00 ATOM 195 C HIS 23 16.437 16.928 29.593 1.00 0.00 ATOM 196 N TRP 24 15.192 16.492 29.484 1.00 0.00 ATOM 197 CA TRP 24 14.203 17.138 28.631 1.00 0.00 ATOM 198 CB TRP 24 13.871 16.192 27.453 1.00 0.00 ATOM 199 CG TRP 24 13.352 14.848 27.875 1.00 0.00 ATOM 200 CD1 TRP 24 14.080 13.795 28.358 1.00 0.00 ATOM 201 CD2 TRP 24 11.990 14.412 27.838 1.00 0.00 ATOM 202 CE2 TRP 24 11.963 13.080 28.309 1.00 0.00 ATOM 203 CE3 TRP 24 10.784 15.019 27.447 1.00 0.00 ATOM 204 NE1 TRP 24 13.250 12.724 28.618 1.00 0.00 ATOM 205 CZ2 TRP 24 10.781 12.344 28.401 1.00 0.00 ATOM 206 CZ3 TRP 24 9.609 14.288 27.538 1.00 0.00 ATOM 207 CH2 TRP 24 9.617 12.957 28.014 1.00 0.00 ATOM 208 O TRP 24 12.773 17.154 30.561 1.00 0.00 ATOM 209 C TRP 24 12.991 17.584 29.428 1.00 0.00 ATOM 210 N ARG 25 12.174 18.470 28.772 1.00 0.00 ATOM 211 CA ARG 25 10.950 18.905 29.412 1.00 0.00 ATOM 212 CB ARG 25 10.295 19.992 28.555 1.00 0.00 ATOM 213 CG ARG 25 11.093 21.282 28.473 1.00 0.00 ATOM 214 CD ARG 25 11.040 22.049 29.784 1.00 0.00 ATOM 215 NE ARG 25 11.763 23.317 29.705 1.00 0.00 ATOM 216 CZ ARG 25 11.906 24.160 30.724 1.00 0.00 ATOM 217 NH1 ARG 25 12.580 25.290 30.559 1.00 0.00 ATOM 218 NH2 ARG 25 11.374 23.869 31.903 1.00 0.00 ATOM 219 O ARG 25 10.013 16.743 28.859 1.00 0.00 ATOM 220 C ARG 25 10.017 17.713 29.631 1.00 0.00 ATOM 221 N ASN 26 9.142 17.612 30.757 1.00 0.00 ATOM 222 CA ASN 26 8.250 16.517 31.107 1.00 0.00 ATOM 223 CB ASN 26 8.349 16.163 32.592 1.00 0.00 ATOM 224 CG ASN 26 9.666 15.502 32.947 1.00 0.00 ATOM 225 ND2 ASN 26 10.010 15.523 34.229 1.00 0.00 ATOM 226 OD1 ASN 26 10.366 14.983 32.078 1.00 0.00 ATOM 227 O ASN 26 6.148 16.083 30.026 1.00 0.00 ATOM 228 C ASN 26 6.780 16.809 30.791 1.00 0.00 ATOM 229 N ASP 27 6.265 17.902 31.338 1.00 0.00 ATOM 230 CA ASP 27 4.870 18.285 31.136 1.00 0.00 ATOM 231 CB ASP 27 4.444 19.319 32.179 1.00 0.00 ATOM 232 CG ASP 27 4.293 18.722 33.564 1.00 0.00 ATOM 233 OD1 ASP 27 4.276 17.478 33.675 1.00 0.00 ATOM 234 OD2 ASP 27 4.195 19.497 34.538 1.00 0.00 ATOM 235 O ASP 27 5.648 19.287 29.104 1.00 0.00 ATOM 236 C ASP 27 4.676 18.889 29.753 1.00 0.00 ATOM 237 N GLU 28 3.424 18.969 29.303 1.00 0.00 ATOM 238 CA GLU 28 3.117 19.585 28.007 1.00 0.00 ATOM 239 CB GLU 28 1.609 19.567 27.750 1.00 0.00 ATOM 240 CG GLU 28 1.201 20.146 26.405 1.00 0.00 ATOM 241 CD GLU 28 -0.295 20.082 26.171 1.00 0.00 ATOM 242 OE1 GLU 28 -1.013 19.572 27.058 1.00 0.00 ATOM 243 OE2 GLU 28 -0.751 20.541 25.104 1.00 0.00 ATOM 244 O GLU 28 4.185 21.465 26.977 1.00 0.00 ATOM 245 C GLU 28 3.592 21.038 27.966 1.00 0.00 ATOM 246 N PRO 29 3.316 21.810 29.006 1.00 0.00 ATOM 247 CA PRO 29 3.759 23.210 29.000 1.00 0.00 ATOM 248 CB PRO 29 3.259 23.761 30.337 1.00 0.00 ATOM 249 CG PRO 29 2.058 22.937 30.656 1.00 0.00 ATOM 250 CD PRO 29 2.381 21.539 30.209 1.00 0.00 ATOM 251 O PRO 29 5.796 24.150 28.168 1.00 0.00 ATOM 252 C PRO 29 5.280 23.300 28.891 1.00 0.00 ATOM 253 N GLN 30 5.984 22.425 29.608 1.00 0.00 ATOM 254 CA GLN 30 7.451 22.383 29.550 1.00 0.00 ATOM 255 CB GLN 30 7.997 21.344 30.532 1.00 0.00 ATOM 256 CG GLN 30 7.849 21.733 31.994 1.00 0.00 ATOM 257 CD GLN 30 8.294 20.634 32.937 1.00 0.00 ATOM 258 OE1 GLN 30 8.636 19.533 32.505 1.00 0.00 ATOM 259 NE2 GLN 30 8.292 20.929 34.233 1.00 0.00 ATOM 260 O GLN 30 8.870 22.644 27.645 1.00 0.00 ATOM 261 C GLN 30 7.928 22.025 28.151 1.00 0.00 ATOM 262 N PRO 31 7.284 21.050 27.515 1.00 0.00 ATOM 263 CA PRO 31 7.692 20.656 26.163 1.00 0.00 ATOM 264 CB PRO 31 6.755 19.475 25.867 1.00 0.00 ATOM 265 CG PRO 31 6.566 18.846 27.252 1.00 0.00 ATOM 266 CD PRO 31 6.468 20.026 28.173 1.00 0.00 ATOM 267 O PRO 31 8.334 22.092 24.325 1.00 0.00 ATOM 268 C PRO 31 7.480 21.821 25.177 1.00 0.00 ATOM 269 N HIS 32 6.359 22.536 25.310 1.00 0.00 ATOM 270 CA HIS 32 6.089 23.648 24.416 1.00 0.00 ATOM 271 CB HIS 32 4.729 24.268 24.744 1.00 0.00 ATOM 272 CG HIS 32 4.408 25.483 23.931 1.00 0.00 ATOM 273 CD2 HIS 32 4.364 26.918 24.179 1.00 0.00 ATOM 274 ND1 HIS 32 4.042 25.416 22.603 1.00 0.00 ATOM 275 CE1 HIS 32 3.817 26.660 22.147 1.00 0.00 ATOM 276 NE2 HIS 32 4.008 27.565 23.087 1.00 0.00 ATOM 277 O HIS 32 7.708 25.301 23.613 1.00 0.00 ATOM 278 C HIS 32 7.196 24.763 24.592 1.00 0.00 ATOM 279 N GLN 33 7.537 25.030 25.854 1.00 0.00 ATOM 280 CA GLN 33 8.540 26.022 26.133 1.00 0.00 ATOM 281 CB GLN 33 8.673 26.338 27.603 1.00 0.00 ATOM 282 CG GLN 33 9.623 27.477 27.902 1.00 0.00 ATOM 283 CD GLN 33 9.069 28.822 27.419 1.00 0.00 ATOM 284 OE1 GLN 33 7.869 29.075 27.516 1.00 0.00 ATOM 285 NE2 GLN 33 9.937 29.657 26.893 1.00 0.00 ATOM 286 O GLN 33 10.652 26.321 25.057 1.00 0.00 ATOM 287 C GLN 33 9.880 25.535 25.586 1.00 0.00 ATOM 288 N PHE 34 10.142 24.242 25.757 1.00 0.00 ATOM 289 CA PHE 34 11.401 23.664 25.292 1.00 0.00 ATOM 290 CB PHE 34 11.460 22.220 25.810 1.00 0.00 ATOM 291 CG PHE 34 12.772 21.557 25.583 1.00 0.00 ATOM 292 CD1 PHE 34 13.676 21.461 26.627 1.00 0.00 ATOM 293 CD2 PHE 34 13.095 20.999 24.350 1.00 0.00 ATOM 294 CE1 PHE 34 14.923 20.814 26.479 1.00 0.00 ATOM 295 CE2 PHE 34 14.365 20.363 24.174 1.00 0.00 ATOM 296 CZ PHE 34 15.272 20.257 25.266 1.00 0.00 ATOM 297 O PHE 34 12.676 24.171 23.304 1.00 0.00 ATOM 298 C PHE 34 11.598 23.771 23.783 1.00 0.00 ATOM 299 N ASN 35 10.578 23.426 23.040 1.00 0.00 ATOM 300 CA ASN 35 10.626 23.511 21.576 1.00 0.00 ATOM 301 CB ASN 35 9.400 22.859 20.932 1.00 0.00 ATOM 302 CG ASN 35 9.410 21.349 21.056 1.00 0.00 ATOM 303 ND2 ASN 35 8.238 20.738 20.929 1.00 0.00 ATOM 304 OD1 ASN 35 10.461 20.740 21.263 1.00 0.00 ATOM 305 O ASN 35 11.499 25.235 20.181 1.00 0.00 ATOM 306 C ASN 35 10.715 24.938 21.085 1.00 0.00 ATOM 307 N SER 36 9.899 25.829 21.640 1.00 0.00 ATOM 308 CA SER 36 9.978 27.231 21.246 1.00 0.00 ATOM 309 CB SER 36 8.999 28.074 22.063 1.00 0.00 ATOM 310 OG SER 36 7.657 27.731 21.766 1.00 0.00 ATOM 311 O SER 36 11.978 28.380 20.603 1.00 0.00 ATOM 312 C SER 36 11.394 27.744 21.477 1.00 0.00 ATOM 313 N THR 37 12.011 27.465 22.699 1.00 0.00 ATOM 314 CA THR 37 13.326 27.987 23.057 1.00 0.00 ATOM 315 CB THR 37 13.657 27.719 24.537 1.00 0.00 ATOM 316 CG2 THR 37 15.045 28.237 24.874 1.00 0.00 ATOM 317 OG1 THR 37 12.698 28.382 25.371 1.00 0.00 ATOM 318 O THR 37 15.415 28.074 21.928 1.00 0.00 ATOM 319 C THR 37 14.478 27.381 22.271 1.00 0.00 ATOM 320 N GLN 38 14.400 26.092 21.983 1.00 0.00 ATOM 321 CA GLN 38 15.457 25.434 21.216 1.00 0.00 ATOM 322 CB GLN 38 15.101 23.968 20.963 1.00 0.00 ATOM 323 CG GLN 38 15.118 23.101 22.211 1.00 0.00 ATOM 324 CD GLN 38 16.486 23.036 22.858 1.00 0.00 ATOM 325 OE1 GLN 38 17.494 22.830 22.182 1.00 0.00 ATOM 326 NE2 GLN 38 16.528 23.213 24.174 1.00 0.00 ATOM 327 O GLN 38 16.700 26.518 19.443 1.00 0.00 ATOM 328 C GLN 38 15.601 26.162 19.870 1.00 0.00 ATOM 329 N PRO 39 14.400 26.459 19.220 1.00 0.00 ATOM 330 CA PRO 39 14.377 27.127 17.936 1.00 0.00 ATOM 331 CB PRO 39 12.996 26.774 17.293 1.00 0.00 ATOM 332 CG PRO 39 12.661 25.491 18.014 1.00 0.00 ATOM 333 CD PRO 39 13.320 25.504 19.387 1.00 0.00 ATOM 334 O PRO 39 15.379 29.146 17.175 1.00 0.00 ATOM 335 C PRO 39 14.666 28.618 18.018 1.00 0.00 ATOM 336 N PHE 40 14.157 29.279 19.056 1.00 0.00 ATOM 337 CA PHE 40 14.412 30.708 19.265 1.00 0.00 ATOM 338 CB PHE 40 13.611 31.226 20.462 1.00 0.00 ATOM 339 CG PHE 40 13.849 32.677 20.767 1.00 0.00 ATOM 340 CD1 PHE 40 13.224 33.666 20.029 1.00 0.00 ATOM 341 CD2 PHE 40 14.697 33.053 21.795 1.00 0.00 ATOM 342 CE1 PHE 40 13.443 35.002 20.310 1.00 0.00 ATOM 343 CE2 PHE 40 14.915 34.389 22.076 1.00 0.00 ATOM 344 CZ PHE 40 14.292 35.361 21.339 1.00 0.00 ATOM 345 O PHE 40 16.484 31.849 18.920 1.00 0.00 ATOM 346 C PHE 40 15.892 30.958 19.531 1.00 0.00 ATOM 347 N PHE 41 16.495 30.156 20.417 1.00 0.00 ATOM 348 CA PHE 41 17.934 30.284 20.680 1.00 0.00 ATOM 349 CB PHE 41 18.465 28.816 21.265 1.00 0.00 ATOM 350 CG PHE 41 19.780 28.904 22.006 1.00 0.00 ATOM 351 CD1 PHE 41 19.744 29.141 23.377 1.00 0.00 ATOM 352 CD2 PHE 41 21.001 28.805 21.342 1.00 0.00 ATOM 353 CE1 PHE 41 20.908 29.259 24.095 1.00 0.00 ATOM 354 CE2 PHE 41 22.163 28.898 22.083 1.00 0.00 ATOM 355 CZ PHE 41 22.144 29.136 23.428 1.00 0.00 ATOM 356 O PHE 41 19.677 30.874 19.139 1.00 0.00 ATOM 357 C PHE 41 18.730 30.127 19.387 1.00 0.00 ATOM 358 N MET 42 18.338 29.151 18.581 1.00 0.00 ATOM 359 CA MET 42 19.006 28.900 17.305 1.00 0.00 ATOM 360 CB MET 42 18.393 27.708 16.568 1.00 0.00 ATOM 361 CG MET 42 18.581 26.376 17.278 1.00 0.00 ATOM 362 SD MET 42 17.939 24.985 16.329 1.00 0.00 ATOM 363 CE MET 42 16.175 25.215 16.540 1.00 0.00 ATOM 364 O MET 42 19.935 30.502 15.768 1.00 0.00 ATOM 365 C MET 42 18.934 30.128 16.396 1.00 0.00 ATOM 366 N ASP 43 17.714 30.862 16.009 1.00 0.00 ATOM 367 CA ASP 43 17.656 32.110 15.241 1.00 0.00 ATOM 368 CB ASP 43 16.243 32.696 15.278 1.00 0.00 ATOM 369 CG ASP 43 15.262 31.905 14.435 1.00 0.00 ATOM 370 OD1 ASP 43 15.714 31.054 13.640 1.00 0.00 ATOM 371 OD2 ASP 43 14.042 32.134 14.571 1.00 0.00 ATOM 372 O ASP 43 19.258 33.889 15.097 1.00 0.00 ATOM 373 C ASP 43 18.609 33.154 15.824 1.00 0.00 ATOM 374 N THR 44 18.683 33.274 17.147 1.00 0.00 ATOM 375 CA THR 44 19.576 34.228 17.779 1.00 0.00 ATOM 376 CB THR 44 19.383 34.242 19.307 1.00 0.00 ATOM 377 CG2 THR 44 20.379 35.190 19.960 1.00 0.00 ATOM 378 OG1 THR 44 18.054 34.680 19.620 1.00 0.00 ATOM 379 O THR 44 21.830 34.699 17.076 1.00 0.00 ATOM 380 C THR 44 21.019 33.844 17.472 1.00 0.00 ATOM 381 N MET 45 21.330 32.563 17.651 1.00 0.00 ATOM 382 CA MET 45 22.689 32.074 17.378 1.00 0.00 ATOM 383 CB MET 45 22.838 30.625 17.849 1.00 0.00 ATOM 384 CG MET 45 22.766 30.453 19.357 1.00 0.00 ATOM 385 SD MET 45 24.039 31.387 20.226 1.00 0.00 ATOM 386 CE MET 45 25.515 30.512 19.710 1.00 0.00 ATOM 387 O MET 45 24.211 32.185 15.509 1.00 0.00 ATOM 388 C MET 45 23.019 32.094 15.872 1.00 0.00 ATOM 389 N GLU 46 22.057 31.957 15.007 1.00 0.00 ATOM 390 CA GLU 46 22.267 31.885 13.570 1.00 0.00 ATOM 391 CB GLU 46 20.928 31.920 12.832 1.00 0.00 ATOM 392 CG GLU 46 21.049 31.837 11.320 1.00 0.00 ATOM 393 CD GLU 46 19.702 31.843 10.625 1.00 0.00 ATOM 394 OE1 GLU 46 18.671 31.893 11.328 1.00 0.00 ATOM 395 OE2 GLU 46 19.677 31.797 9.377 1.00 0.00 ATOM 396 O GLU 46 24.066 32.886 12.320 1.00 0.00 ATOM 397 C GLU 46 23.097 33.068 13.070 1.00 0.00 ATOM 398 N PRO 47 22.669 34.275 13.363 1.00 0.00 ATOM 399 CA PRO 47 23.365 35.469 12.873 1.00 0.00 ATOM 400 CB PRO 47 22.434 36.623 13.305 1.00 0.00 ATOM 401 CG PRO 47 21.119 35.892 13.504 1.00 0.00 ATOM 402 CD PRO 47 21.484 34.563 14.117 1.00 0.00 ATOM 403 O PRO 47 25.148 35.138 14.450 1.00 0.00 ATOM 404 C PRO 47 24.827 35.481 13.308 1.00 0.00 ATOM 405 N LEU 48 25.724 35.870 12.397 1.00 0.00 ATOM 406 CA LEU 48 27.132 35.942 12.687 1.00 0.00 ATOM 407 CB LEU 48 27.926 36.307 11.430 1.00 0.00 ATOM 408 CG LEU 48 29.449 36.326 11.573 1.00 0.00 ATOM 409 CD1 LEU 48 29.969 34.954 11.976 1.00 0.00 ATOM 410 CD2 LEU 48 30.107 36.715 10.258 1.00 0.00 ATOM 411 O LEU 48 28.219 36.621 14.713 1.00 0.00 ATOM 412 C LEU 48 27.455 36.933 13.802 1.00 0.00 ATOM 413 N GLU 49 26.869 38.138 13.720 1.00 0.00 ATOM 414 CA GLU 49 27.094 39.165 14.737 1.00 0.00 ATOM 415 CB GLU 49 26.397 40.472 14.349 1.00 0.00 ATOM 416 CG GLU 49 27.009 41.167 13.145 1.00 0.00 ATOM 417 CD GLU 49 26.221 42.389 12.715 1.00 0.00 ATOM 418 OE1 GLU 49 25.157 42.650 13.313 1.00 0.00 ATOM 419 OE2 GLU 49 26.669 43.086 11.779 1.00 0.00 ATOM 420 O GLU 49 27.194 38.997 17.147 1.00 0.00 ATOM 421 C GLU 49 26.575 38.748 16.119 1.00 0.00 ATOM 422 N TRP 50 25.415 38.082 16.143 1.00 0.00 ATOM 423 CA TRP 50 24.864 37.616 17.405 1.00 0.00 ATOM 424 CB TRP 50 23.498 36.916 17.210 1.00 0.00 ATOM 425 CG TRP 50 22.374 37.866 16.982 1.00 0.00 ATOM 426 CD1 TRP 50 21.541 37.931 15.884 1.00 0.00 ATOM 427 CD2 TRP 50 21.895 38.887 17.885 1.00 0.00 ATOM 428 CE2 TRP 50 20.825 39.544 17.258 1.00 0.00 ATOM 429 CE3 TRP 50 22.301 39.321 19.163 1.00 0.00 ATOM 430 NE1 TRP 50 20.620 38.905 16.035 1.00 0.00 ATOM 431 CZ2 TRP 50 20.164 40.608 17.840 1.00 0.00 ATOM 432 CZ3 TRP 50 21.621 40.388 19.726 1.00 0.00 ATOM 433 CH2 TRP 50 20.560 41.019 19.075 1.00 0.00 ATOM 434 O TRP 50 25.898 36.675 19.285 1.00 0.00 ATOM 435 C TRP 50 25.727 36.604 18.071 1.00 0.00 ATOM 436 N LEU 51 26.251 35.611 17.372 1.00 0.00 ATOM 437 CA LEU 51 27.134 34.579 17.917 1.00 0.00 ATOM 438 CB LEU 51 27.499 33.561 16.826 1.00 0.00 ATOM 439 CG LEU 51 26.452 32.576 16.324 1.00 0.00 ATOM 440 CD1 LEU 51 27.057 31.732 15.209 1.00 0.00 ATOM 441 CD2 LEU 51 25.993 31.685 17.479 1.00 0.00 ATOM 442 O LEU 51 28.858 34.724 19.559 1.00 0.00 ATOM 443 C LEU 51 28.403 35.166 18.488 1.00 0.00 ATOM 444 N GLN 52 28.982 36.153 17.821 1.00 0.00 ATOM 445 CA GLN 52 30.222 36.787 18.335 1.00 0.00 ATOM 446 CB GLN 52 30.776 37.783 17.317 1.00 0.00 ATOM 447 CG GLN 52 31.349 37.139 16.064 1.00 0.00 ATOM 448 CD GLN 52 31.786 38.158 15.032 1.00 0.00 ATOM 449 OE1 GLN 52 31.573 39.359 15.201 1.00 0.00 ATOM 450 NE2 GLN 52 32.402 37.681 13.955 1.00 0.00 ATOM 451 O GLN 52 30.754 37.381 20.603 1.00 0.00 ATOM 452 C GLN 52 29.949 37.461 19.674 1.00 0.00 ATOM 453 N TRP 53 28.806 38.139 19.763 1.00 0.00 ATOM 454 CA TRP 53 28.436 38.810 20.998 1.00 0.00 ATOM 455 CB TRP 53 27.154 39.636 20.865 1.00 0.00 ATOM 456 CG TRP 53 26.753 40.328 22.129 1.00 0.00 ATOM 457 CD1 TRP 53 25.686 40.027 22.926 1.00 0.00 ATOM 458 CD2 TRP 53 27.414 41.441 22.745 1.00 0.00 ATOM 459 CE2 TRP 53 26.691 41.761 23.912 1.00 0.00 ATOM 460 CE3 TRP 53 28.544 42.198 22.425 1.00 0.00 ATOM 461 NE1 TRP 53 25.640 40.883 24.000 1.00 0.00 ATOM 462 CZ2 TRP 53 27.062 42.805 24.758 1.00 0.00 ATOM 463 CZ3 TRP 53 28.909 43.232 23.268 1.00 0.00 ATOM 464 CH2 TRP 53 28.172 43.528 24.419 1.00 0.00 ATOM 465 O TRP 53 28.653 38.002 23.249 1.00 0.00 ATOM 466 C TRP 53 28.238 37.784 22.111 1.00 0.00 ATOM 467 N VAL 54 27.552 36.661 21.794 1.00 0.00 ATOM 468 CA VAL 54 27.309 35.592 22.758 1.00 0.00 ATOM 469 CB VAL 54 26.457 34.481 22.116 1.00 0.00 ATOM 470 CG1 VAL 54 26.329 33.296 23.061 1.00 0.00 ATOM 471 CG2 VAL 54 25.063 34.997 21.798 1.00 0.00 ATOM 472 O VAL 54 28.724 34.731 24.477 1.00 0.00 ATOM 473 C VAL 54 28.599 34.970 23.259 1.00 0.00 ATOM 474 N LEU 55 29.549 34.784 22.354 1.00 0.00 ATOM 475 CA LEU 55 30.871 34.225 22.728 1.00 0.00 ATOM 476 CB LEU 55 31.808 34.209 21.520 1.00 0.00 ATOM 477 CG LEU 55 33.219 33.671 21.762 1.00 0.00 ATOM 478 CD1 LEU 55 33.171 32.218 22.208 1.00 0.00 ATOM 479 CD2 LEU 55 34.051 33.752 20.493 1.00 0.00 ATOM 480 O LEU 55 32.082 34.527 24.750 1.00 0.00 ATOM 481 C LEU 55 31.508 35.082 23.831 1.00 0.00 ATOM 482 N ILE 56 31.493 36.408 23.682 1.00 0.00 ATOM 483 CA ILE 56 32.116 37.275 24.653 1.00 0.00 ATOM 484 CB ILE 56 32.126 38.732 24.303 1.00 0.00 ATOM 485 CG1 ILE 56 32.725 38.886 22.896 1.00 0.00 ATOM 486 CG2 ILE 56 32.989 39.500 25.287 1.00 0.00 ATOM 487 CD1 ILE 56 32.850 40.352 22.436 1.00 0.00 ATOM 488 O ILE 56 32.245 37.033 27.035 1.00 0.00 ATOM 489 C ILE 56 31.519 37.116 26.047 1.00 0.00 ATOM 490 N PRO 57 30.178 37.130 26.153 1.00 0.00 ATOM 491 CA PRO 57 29.586 36.981 27.488 1.00 0.00 ATOM 492 CB PRO 57 28.067 37.132 27.202 1.00 0.00 ATOM 493 CG PRO 57 27.997 37.994 25.989 1.00 0.00 ATOM 494 CD PRO 57 29.169 37.503 25.143 1.00 0.00 ATOM 495 O PRO 57 30.283 35.580 29.301 1.00 0.00 ATOM 496 C PRO 57 29.971 35.646 28.111 1.00 0.00 ATOM 497 N ARG 58 29.964 34.588 27.312 1.00 0.00 ATOM 498 CA ARG 58 30.313 33.272 27.833 1.00 0.00 ATOM 499 CB ARG 58 30.144 32.207 26.747 1.00 0.00 ATOM 500 CG ARG 58 28.697 31.923 26.375 1.00 0.00 ATOM 501 CD ARG 58 28.608 30.915 25.241 1.00 0.00 ATOM 502 NE ARG 58 27.222 30.636 24.866 1.00 0.00 ATOM 503 CZ ARG 58 26.866 29.853 23.853 1.00 0.00 ATOM 504 NH1 ARG 58 25.582 29.656 23.587 1.00 0.00 ATOM 505 NH2 ARG 58 27.794 29.267 23.110 1.00 0.00 ATOM 506 O ARG 58 31.979 32.850 29.516 1.00 0.00 ATOM 507 C ARG 58 31.743 33.281 28.385 1.00 0.00 ATOM 508 N MET 59 32.641 33.844 27.609 1.00 0.00 ATOM 509 CA MET 59 34.045 33.879 28.034 1.00 0.00 ATOM 510 CB MET 59 34.940 34.487 26.952 1.00 0.00 ATOM 511 CG MET 59 35.079 33.625 25.707 1.00 0.00 ATOM 512 SD MET 59 35.812 32.015 26.053 1.00 0.00 ATOM 513 CE MET 59 37.486 32.488 26.480 1.00 0.00 ATOM 514 O MET 59 34.984 34.242 30.228 1.00 0.00 ATOM 515 C MET 59 34.277 34.689 29.307 1.00 0.00 ATOM 516 N HIS 60 33.687 35.880 29.389 1.00 0.00 ATOM 517 CA HIS 60 33.879 36.690 30.573 1.00 0.00 ATOM 518 CB HIS 60 33.182 38.042 30.415 1.00 0.00 ATOM 519 CG HIS 60 33.335 38.944 31.600 1.00 0.00 ATOM 520 CD2 HIS 60 32.464 39.417 32.666 1.00 0.00 ATOM 521 ND1 HIS 60 34.525 39.565 31.913 1.00 0.00 ATOM 522 CE1 HIS 60 34.354 40.305 33.024 1.00 0.00 ATOM 523 NE2 HIS 60 33.119 40.221 33.481 1.00 0.00 ATOM 524 O HIS 60 34.036 36.004 32.872 1.00 0.00 ATOM 525 C HIS 60 33.368 35.996 31.835 1.00 0.00 ATOM 526 N ASP 61 32.162 35.415 31.760 1.00 0.00 ATOM 527 CA ASP 61 31.573 34.742 32.913 1.00 0.00 ATOM 528 CB ASP 61 30.163 34.240 32.596 1.00 0.00 ATOM 529 CG ASP 61 29.157 35.367 32.476 1.00 0.00 ATOM 530 OD1 ASP 61 29.486 36.504 32.875 1.00 0.00 ATOM 531 OD2 ASP 61 28.037 35.115 31.982 1.00 0.00 ATOM 532 O ASP 61 32.614 33.324 34.579 1.00 0.00 ATOM 533 C ASP 61 32.408 33.544 33.376 1.00 0.00 ATOM 534 N LEU 62 32.891 32.751 32.431 1.00 0.00 ATOM 535 CA LEU 62 33.733 31.633 32.794 1.00 0.00 ATOM 536 CB LEU 62 34.119 30.829 31.551 1.00 0.00 ATOM 537 CG LEU 62 32.995 30.041 30.877 1.00 0.00 ATOM 538 CD1 LEU 62 33.471 29.439 29.564 1.00 0.00 ATOM 539 CD2 LEU 62 32.519 28.907 31.774 1.00 0.00 ATOM 540 O LEU 62 35.433 31.523 34.475 1.00 0.00 ATOM 541 C LEU 62 35.010 32.139 33.510 1.00 0.00 ATOM 542 N LEU 63 35.570 33.219 33.025 1.00 0.00 ATOM 543 CA LEU 63 36.793 33.795 33.624 1.00 0.00 ATOM 544 CB LEU 63 37.330 34.966 32.797 1.00 0.00 ATOM 545 CG LEU 63 37.888 34.619 31.416 1.00 0.00 ATOM 546 CD1 LEU 63 38.218 35.884 30.637 1.00 0.00 ATOM 547 CD2 LEU 63 39.161 33.796 31.543 1.00 0.00 ATOM 548 O LEU 63 37.275 34.053 35.955 1.00 0.00 ATOM 549 C LEU 63 36.486 34.269 35.030 1.00 0.00 ATOM 550 N ASP 64 35.304 34.866 35.207 1.00 0.00 ATOM 551 CA ASP 64 34.917 35.313 36.530 1.00 0.00 ATOM 552 CB ASP 64 33.564 36.024 36.480 1.00 0.00 ATOM 553 CG ASP 64 33.647 37.392 35.830 1.00 0.00 ATOM 554 OD1 ASP 64 34.777 37.889 35.635 1.00 0.00 ATOM 555 OD2 ASP 64 32.583 37.966 35.517 1.00 0.00 ATOM 556 O ASP 64 35.201 34.187 38.636 1.00 0.00 ATOM 557 C ASP 64 34.805 34.113 37.468 1.00 0.00 ATOM 558 N ASN 65 34.235 33.017 36.979 1.00 0.00 ATOM 559 CA ASN 65 34.093 31.826 37.805 1.00 0.00 ATOM 560 CB ASN 65 33.318 30.742 37.054 1.00 0.00 ATOM 561 CG ASN 65 33.022 29.533 37.920 1.00 0.00 ATOM 562 ND2 ASN 65 33.571 28.385 37.540 1.00 0.00 ATOM 563 OD1 ASN 65 32.306 29.632 38.916 1.00 0.00 ATOM 564 O ASN 65 35.656 30.798 39.304 1.00 0.00 ATOM 565 C ASN 65 35.450 31.266 38.177 1.00 0.00 ATOM 566 N LYS 66 36.369 31.294 37.217 1.00 0.00 ATOM 567 CA LYS 66 37.712 30.759 37.461 1.00 0.00 ATOM 568 CB LYS 66 38.592 30.934 36.220 1.00 0.00 ATOM 569 CG LYS 66 39.996 30.369 36.369 1.00 0.00 ATOM 570 CD LYS 66 40.786 30.513 35.080 1.00 0.00 ATOM 571 CE LYS 66 42.206 29.992 35.244 1.00 0.00 ATOM 572 NZ LYS 66 43.002 30.148 33.995 1.00 0.00 ATOM 573 O LYS 66 39.008 30.779 39.475 1.00 0.00 ATOM 574 C LYS 66 38.419 31.449 38.627 1.00 0.00 ATOM 575 N GLN 67 38.368 32.779 38.651 1.00 0.00 ATOM 576 CA GLN 67 39.003 33.574 39.706 1.00 0.00 ATOM 577 CB GLN 67 39.399 34.951 39.169 1.00 0.00 ATOM 578 CG GLN 67 40.119 35.828 40.181 1.00 0.00 ATOM 579 CD GLN 67 40.510 37.176 39.609 1.00 0.00 ATOM 580 OE1 GLN 67 40.302 37.443 38.425 1.00 0.00 ATOM 581 NE2 GLN 67 41.080 38.032 40.450 1.00 0.00 ATOM 582 O GLN 67 37.019 34.425 40.719 1.00 0.00 ATOM 583 C GLN 67 38.063 33.798 40.885 1.00 0.00 ATOM 584 N PRO 68 38.428 33.369 42.077 1.00 0.00 ATOM 585 CA PRO 68 37.589 33.529 43.256 1.00 0.00 ATOM 586 CB PRO 68 38.205 32.564 44.271 1.00 0.00 ATOM 587 CG PRO 68 39.643 32.480 43.883 1.00 0.00 ATOM 588 CD PRO 68 39.683 32.665 42.392 1.00 0.00 ATOM 589 O PRO 68 38.692 35.482 44.057 1.00 0.00 ATOM 590 C PRO 68 37.609 34.967 43.757 1.00 0.00 ATOM 591 N LEU 69 36.448 35.605 43.953 1.00 0.00 ATOM 592 CA LEU 69 36.461 36.958 44.510 1.00 0.00 ATOM 593 CB LEU 69 35.043 37.527 44.571 1.00 0.00 ATOM 594 CG LEU 69 34.905 38.948 45.119 1.00 0.00 ATOM 595 CD1 LEU 69 35.667 39.937 44.250 1.00 0.00 ATOM 596 CD2 LEU 69 33.445 39.373 45.152 1.00 0.00 ATOM 597 O LEU 69 37.846 37.815 46.261 1.00 0.00 ATOM 598 C LEU 69 37.031 36.954 45.912 1.00 0.00 ATOM 599 N PRO 70 36.613 35.988 46.751 1.00 0.00 ATOM 600 CA PRO 70 37.106 35.947 48.122 1.00 0.00 ATOM 601 CB PRO 70 36.057 35.119 48.866 1.00 0.00 ATOM 602 CG PRO 70 35.590 34.119 47.863 1.00 0.00 ATOM 603 CD PRO 70 35.540 34.840 46.546 1.00 0.00 ATOM 604 O PRO 70 38.772 34.406 47.376 1.00 0.00 ATOM 605 C PRO 70 38.482 35.296 48.178 1.00 0.00 ATOM 606 N GLY 71 35.242 32.636 44.794 1.00 0.00 ATOM 607 CA GLY 71 35.237 31.324 44.170 1.00 0.00 ATOM 608 O GLY 71 33.622 30.265 42.704 1.00 0.00 ATOM 609 C GLY 71 33.812 30.938 43.733 1.00 0.00 ATOM 610 N ALA 72 32.830 31.394 44.518 1.00 0.00 ATOM 611 CA ALA 72 31.413 31.107 44.280 1.00 0.00 ATOM 612 CB ALA 72 30.808 30.415 45.492 1.00 0.00 ATOM 613 O ALA 72 29.997 32.966 44.910 1.00 0.00 ATOM 614 C ALA 72 30.597 32.370 44.015 1.00 0.00 ATOM 615 N PHE 73 30.572 32.758 42.754 1.00 0.00 ATOM 616 CA PHE 73 29.881 33.947 42.350 1.00 0.00 ATOM 617 CB PHE 73 30.570 34.612 41.134 1.00 0.00 ATOM 618 CG PHE 73 31.917 35.180 41.421 1.00 0.00 ATOM 619 CD1 PHE 73 32.068 36.539 41.585 1.00 0.00 ATOM 620 CD2 PHE 73 33.039 34.361 41.511 1.00 0.00 ATOM 621 CE1 PHE 73 33.324 37.100 41.833 1.00 0.00 ATOM 622 CE2 PHE 73 34.296 34.922 41.768 1.00 0.00 ATOM 623 CZ PHE 73 34.425 36.299 41.928 1.00 0.00 ATOM 624 O PHE 73 28.071 32.870 41.180 1.00 0.00 ATOM 625 C PHE 73 28.426 33.783 41.920 1.00 0.00 ATOM 626 N ALA 74 27.632 34.766 42.308 1.00 0.00 ATOM 627 CA ALA 74 26.248 34.846 41.875 1.00 0.00 ATOM 628 CB ALA 74 25.423 35.635 42.881 1.00 0.00 ATOM 629 O ALA 74 27.275 36.133 40.071 1.00 0.00 ATOM 630 C ALA 74 26.243 35.560 40.517 1.00 0.00 ATOM 631 N VAL 75 25.095 35.549 39.847 1.00 0.00 ATOM 632 CA VAL 75 24.958 36.260 38.568 1.00 0.00 ATOM 633 CB VAL 75 23.535 36.129 37.997 1.00 0.00 ATOM 634 CG1 VAL 75 23.364 37.026 36.782 1.00 0.00 ATOM 635 CG2 VAL 75 23.258 34.694 37.578 1.00 0.00 ATOM 636 O VAL 75 25.916 38.378 37.915 1.00 0.00 ATOM 637 C VAL 75 25.267 37.748 38.755 1.00 0.00 ATOM 638 N ALA 76 24.817 38.315 39.873 1.00 0.00 ATOM 639 CA ALA 76 25.075 39.727 40.171 1.00 0.00 ATOM 640 CB ALA 76 24.329 40.148 41.428 1.00 0.00 ATOM 641 O ALA 76 27.084 41.038 39.930 1.00 0.00 ATOM 642 C ALA 76 26.564 39.999 40.386 1.00 0.00 ATOM 643 N PRO 77 27.250 39.080 41.078 1.00 0.00 ATOM 644 CA PRO 77 28.694 39.233 41.294 1.00 0.00 ATOM 645 CB PRO 77 29.052 38.073 42.205 1.00 0.00 ATOM 646 CG PRO 77 27.848 37.919 43.057 1.00 0.00 ATOM 647 CD PRO 77 26.692 38.229 42.151 1.00 0.00 ATOM 648 O PRO 77 30.388 40.056 39.796 1.00 0.00 ATOM 649 C PRO 77 29.445 39.277 39.968 1.00 0.00 ATOM 650 N TYR 78 29.044 38.432 39.024 1.00 0.00 ATOM 651 CA TYR 78 29.683 38.371 37.720 1.00 0.00 ATOM 652 CB TYR 78 29.108 37.219 36.893 1.00 0.00 ATOM 653 CG TYR 78 29.578 35.852 37.335 1.00 0.00 ATOM 654 CD1 TYR 78 28.756 35.026 38.088 1.00 0.00 ATOM 655 CD2 TYR 78 30.844 35.392 36.995 1.00 0.00 ATOM 656 CE1 TYR 78 29.178 33.775 38.497 1.00 0.00 ATOM 657 CE2 TYR 78 31.284 34.145 37.395 1.00 0.00 ATOM 658 CZ TYR 78 30.436 33.336 38.151 1.00 0.00 ATOM 659 OH TYR 78 30.860 32.090 38.556 1.00 0.00 ATOM 660 O TYR 78 30.352 40.361 36.488 1.00 0.00 ATOM 661 C TYR 78 29.416 39.702 37.013 1.00 0.00 ATOM 662 N TYR 79 28.148 40.096 36.962 1.00 0.00 ATOM 663 CA TYR 79 27.742 41.374 36.340 1.00 0.00 ATOM 664 CB TYR 79 26.244 41.615 36.542 1.00 0.00 ATOM 665 CG TYR 79 25.756 42.936 35.989 1.00 0.00 ATOM 666 CD1 TYR 79 25.483 43.082 34.635 1.00 0.00 ATOM 667 CD2 TYR 79 25.570 44.031 36.822 1.00 0.00 ATOM 668 CE1 TYR 79 25.036 44.284 34.121 1.00 0.00 ATOM 669 CE2 TYR 79 25.125 45.241 36.327 1.00 0.00 ATOM 670 CZ TYR 79 24.858 45.360 34.962 1.00 0.00 ATOM 671 OH TYR 79 24.413 46.559 34.453 1.00 0.00 ATOM 672 O TYR 79 28.891 43.476 36.222 1.00 0.00 ATOM 673 C TYR 79 28.454 42.582 36.944 1.00 0.00 ATOM 674 N GLU 80 28.586 42.615 38.281 1.00 0.00 ATOM 675 CA GLU 80 29.261 43.728 38.943 1.00 0.00 ATOM 676 CB GLU 80 29.099 43.673 40.453 1.00 0.00 ATOM 677 CG GLU 80 29.661 44.917 41.118 1.00 0.00 ATOM 678 CD GLU 80 29.352 45.019 42.596 1.00 0.00 ATOM 679 OE1 GLU 80 28.263 44.571 43.003 1.00 0.00 ATOM 680 OE2 GLU 80 30.234 45.492 43.343 1.00 0.00 ATOM 681 O GLU 80 31.308 44.834 38.339 1.00 0.00 ATOM 682 C GLU 80 30.743 43.762 38.566 1.00 0.00 ATOM 683 N MET 81 31.388 42.595 38.539 1.00 0.00 ATOM 684 CA MET 81 32.791 42.523 38.131 1.00 0.00 ATOM 685 CB MET 81 33.292 41.077 38.177 1.00 0.00 ATOM 686 CG MET 81 33.408 40.505 39.582 1.00 0.00 ATOM 687 SD MET 81 34.576 41.414 40.610 1.00 0.00 ATOM 688 CE MET 81 36.126 40.992 39.816 1.00 0.00 ATOM 689 O MET 81 33.850 43.837 36.423 1.00 0.00 ATOM 690 C MET 81 32.934 43.058 36.717 1.00 0.00 ATOM 691 N ALA 82 32.032 42.658 35.833 1.00 0.00 ATOM 692 CA ALA 82 32.066 43.134 34.458 1.00 0.00 ATOM 693 CB ALA 82 30.942 42.481 33.653 1.00 0.00 ATOM 694 O ALA 82 32.558 45.336 33.619 1.00 0.00 ATOM 695 C ALA 82 31.866 44.653 34.375 1.00 0.00 ATOM 696 N LEU 83 30.925 45.170 35.162 1.00 0.00 ATOM 697 CA LEU 83 30.671 46.608 35.165 1.00 0.00 ATOM 698 CB LEU 83 29.511 46.933 36.107 1.00 0.00 ATOM 699 CG LEU 83 29.104 48.405 36.199 1.00 0.00 ATOM 700 CD1 LEU 83 28.641 48.920 34.844 1.00 0.00 ATOM 701 CD2 LEU 83 27.964 48.585 37.190 1.00 0.00 ATOM 702 O LEU 83 32.229 48.408 35.038 1.00 0.00 ATOM 703 C LEU 83 31.891 47.382 35.627 1.00 0.00 ATOM 704 N ALA 84 32.526 46.776 36.541 1.00 0.00 ATOM 705 CA ALA 84 33.786 47.330 37.019 1.00 0.00 ATOM 706 CB ALA 84 34.337 46.489 38.162 1.00 0.00 ATOM 707 O ALA 84 35.448 48.281 35.548 1.00 0.00 ATOM 708 C ALA 84 34.744 47.307 35.819 1.00 0.00 ATOM 709 N THR 85 34.751 46.194 35.086 1.00 0.00 ATOM 710 CA THR 85 35.614 46.056 33.918 1.00 0.00 ATOM 711 CB THR 85 35.858 44.622 33.564 1.00 0.00 ATOM 712 CG2 THR 85 36.633 43.930 34.691 1.00 0.00 ATOM 713 OG1 THR 85 34.592 44.029 33.368 1.00 0.00 ATOM 714 O THR 85 35.431 46.667 31.598 1.00 0.00 ATOM 715 C THR 85 35.102 46.905 32.762 1.00 0.00 ATOM 716 N ASP 86 34.304 47.910 33.073 1.00 0.00 ATOM 717 CA ASP 86 33.735 48.802 32.067 1.00 0.00 ATOM 718 CB ASP 86 34.848 49.509 31.292 1.00 0.00 ATOM 719 CG ASP 86 35.675 50.430 32.167 1.00 0.00 ATOM 720 OD1 ASP 86 35.079 51.249 32.897 1.00 0.00 ATOM 721 OD2 ASP 86 36.920 50.330 32.125 1.00 0.00 ATOM 722 O ASP 86 32.632 48.730 29.948 1.00 0.00 ATOM 723 C ASP 86 32.868 48.138 31.009 1.00 0.00 ATOM 724 N HIS 87 32.340 46.957 31.270 1.00 0.00 ATOM 725 CA HIS 87 31.474 46.322 30.261 1.00 0.00 ATOM 726 CB HIS 87 32.225 45.217 29.516 1.00 0.00 ATOM 727 CG HIS 87 33.402 45.708 28.733 1.00 0.00 ATOM 728 CD2 HIS 87 34.847 45.707 28.919 1.00 0.00 ATOM 729 ND1 HIS 87 33.276 46.339 27.514 1.00 0.00 ATOM 730 CE1 HIS 87 34.500 46.661 27.060 1.00 0.00 ATOM 731 NE2 HIS 87 35.447 46.286 27.897 1.00 0.00 ATOM 732 O HIS 87 30.260 45.205 31.994 1.00 0.00 ATOM 733 C HIS 87 30.232 45.697 30.867 1.00 0.00 ATOM 734 N PRO 88 29.148 45.706 30.115 1.00 0.00 ATOM 735 CA PRO 88 27.977 44.899 30.483 1.00 0.00 ATOM 736 CB PRO 88 26.933 45.261 29.425 1.00 0.00 ATOM 737 CG PRO 88 27.728 45.534 28.192 1.00 0.00 ATOM 738 CD PRO 88 28.949 46.290 28.642 1.00 0.00 ATOM 739 O PRO 88 27.495 42.657 31.160 1.00 0.00 ATOM 740 C PRO 88 28.219 43.380 30.478 1.00 0.00 ATOM 741 N GLN 89 25.072 43.933 29.932 1.00 0.00 ATOM 742 CA GLN 89 23.932 44.142 30.814 1.00 0.00 ATOM 743 CB GLN 89 22.694 44.509 29.993 1.00 0.00 ATOM 744 CG GLN 89 22.116 43.311 29.219 1.00 0.00 ATOM 745 CD GLN 89 21.388 43.799 27.977 1.00 0.00 ATOM 746 OE1 GLN 89 21.911 44.666 27.272 1.00 0.00 ATOM 747 NE2 GLN 89 20.216 43.255 27.705 1.00 0.00 ATOM 748 O GLN 89 24.090 41.803 31.306 1.00 0.00 ATOM 749 C GLN 89 23.658 42.906 31.654 1.00 0.00 ATOM 750 N ARG 90 22.916 43.093 32.748 1.00 0.00 ATOM 751 CA ARG 90 22.587 41.982 33.661 1.00 0.00 ATOM 752 CB ARG 90 21.655 42.540 34.790 1.00 0.00 ATOM 753 CG ARG 90 21.184 41.456 35.784 1.00 0.00 ATOM 754 CD ARG 90 20.414 42.046 37.013 1.00 0.00 ATOM 755 NE ARG 90 20.809 41.306 38.218 1.00 0.00 ATOM 756 CZ ARG 90 20.739 41.759 39.475 1.00 0.00 ATOM 757 NH1 ARG 90 20.263 42.986 39.738 1.00 0.00 ATOM 758 NH2 ARG 90 21.171 40.985 40.480 1.00 0.00 ATOM 759 O ARG 90 22.114 39.658 33.289 1.00 0.00 ATOM 760 C ARG 90 21.831 40.830 33.003 1.00 0.00 ATOM 761 N ALA 91 20.829 41.152 32.180 1.00 0.00 ATOM 762 CA ALA 91 20.046 40.133 31.487 1.00 0.00 ATOM 763 CB ALA 91 18.964 40.783 30.637 1.00 0.00 ATOM 764 O ALA 91 20.851 38.097 30.527 1.00 0.00 ATOM 765 C ALA 91 20.968 39.316 30.611 1.00 0.00 ATOM 766 N LEU 92 21.912 39.983 29.955 1.00 0.00 ATOM 767 CA LEU 92 22.833 39.224 29.120 1.00 0.00 ATOM 768 CB LEU 92 23.734 40.170 28.324 1.00 0.00 ATOM 769 CG LEU 92 23.050 41.010 27.245 1.00 0.00 ATOM 770 CD1 LEU 92 24.019 42.027 26.660 1.00 0.00 ATOM 771 CD2 LEU 92 22.549 40.127 26.113 1.00 0.00 ATOM 772 O LEU 92 23.936 37.144 29.594 1.00 0.00 ATOM 773 C LEU 92 23.688 38.281 29.978 1.00 0.00 ATOM 774 N ILE 93 24.156 38.780 31.134 1.00 0.00 ATOM 775 CA ILE 93 24.972 37.967 32.034 1.00 0.00 ATOM 776 CB ILE 93 25.375 38.746 33.299 1.00 0.00 ATOM 777 CG1 ILE 93 26.241 39.952 32.930 1.00 0.00 ATOM 778 CG2 ILE 93 26.169 37.855 34.242 1.00 0.00 ATOM 779 CD1 ILE 93 27.546 39.586 32.258 1.00 0.00 ATOM 780 O ILE 93 24.702 35.620 32.414 1.00 0.00 ATOM 781 C ILE 93 24.191 36.736 32.451 1.00 0.00 ATOM 782 N LEU 94 22.934 36.919 32.833 1.00 0.00 ATOM 783 CA LEU 94 22.137 35.767 33.260 1.00 0.00 ATOM 784 CB LEU 94 20.756 36.220 33.739 1.00 0.00 ATOM 785 CG LEU 94 19.812 35.117 34.224 1.00 0.00 ATOM 786 CD1 LEU 94 20.404 34.391 35.421 1.00 0.00 ATOM 787 CD2 LEU 94 18.469 35.702 34.637 1.00 0.00 ATOM 788 O LEU 94 22.010 33.570 32.269 1.00 0.00 ATOM 789 C LEU 94 21.929 34.777 32.103 1.00 0.00 ATOM 790 N ALA 95 21.645 35.316 30.929 1.00 0.00 ATOM 791 CA ALA 95 21.432 34.474 29.763 1.00 0.00 ATOM 792 CB ALA 95 21.120 35.328 28.544 1.00 0.00 ATOM 793 O ALA 95 22.551 32.423 29.200 1.00 0.00 ATOM 794 C ALA 95 22.658 33.626 29.435 1.00 0.00 ATOM 795 N GLU 96 23.808 34.265 29.434 1.00 0.00 ATOM 796 CA GLU 96 25.054 33.571 29.132 1.00 0.00 ATOM 797 CB GLU 96 26.228 34.632 28.945 1.00 0.00 ATOM 798 CG GLU 96 26.080 35.621 27.799 1.00 0.00 ATOM 799 CD GLU 96 25.583 34.988 26.485 1.00 0.00 ATOM 800 OE1 GLU 96 26.128 33.944 26.030 1.00 0.00 ATOM 801 OE2 GLU 96 24.623 35.537 25.893 1.00 0.00 ATOM 802 O GLU 96 25.824 31.399 29.801 1.00 0.00 ATOM 803 C GLU 96 25.402 32.500 30.158 1.00 0.00 ATOM 804 N LEU 97 25.246 32.831 31.427 1.00 0.00 ATOM 805 CA LEU 97 25.512 31.878 32.491 1.00 0.00 ATOM 806 CB LEU 97 25.325 32.481 33.885 1.00 0.00 ATOM 807 CG LEU 97 25.690 31.582 35.067 1.00 0.00 ATOM 808 CD1 LEU 97 27.158 31.187 35.008 1.00 0.00 ATOM 809 CD2 LEU 97 25.445 32.300 36.385 1.00 0.00 ATOM 810 O LEU 97 24.953 29.542 32.417 1.00 0.00 ATOM 811 C LEU 97 24.551 30.686 32.314 1.00 0.00 ATOM 812 N GLU 98 23.271 30.933 32.016 1.00 0.00 ATOM 813 CA GLU 98 22.343 29.847 31.749 1.00 0.00 ATOM 814 CB GLU 98 20.887 30.424 31.764 1.00 0.00 ATOM 815 CG GLU 98 19.811 29.348 31.612 1.00 0.00 ATOM 816 CD GLU 98 18.436 29.915 31.311 1.00 0.00 ATOM 817 OE1 GLU 98 17.476 29.123 31.199 1.00 0.00 ATOM 818 OE2 GLU 98 18.312 31.150 31.180 1.00 0.00 ATOM 819 O GLU 98 22.712 27.790 30.556 1.00 0.00 ATOM 820 C GLU 98 22.804 29.015 30.540 1.00 0.00 ATOM 821 N LYS 99 23.328 29.684 29.505 1.00 0.00 ATOM 822 CA LYS 99 23.830 28.978 28.318 1.00 0.00 ATOM 823 CB LYS 99 24.308 29.994 27.278 1.00 0.00 ATOM 824 CG LYS 99 23.191 30.803 26.640 1.00 0.00 ATOM 825 CD LYS 99 23.735 31.786 25.616 1.00 0.00 ATOM 826 CE LYS 99 22.620 32.618 25.003 1.00 0.00 ATOM 827 NZ LYS 99 23.142 33.603 24.014 1.00 0.00 ATOM 828 O LYS 99 25.049 26.900 28.364 1.00 0.00 ATOM 829 C LYS 99 24.990 28.079 28.752 1.00 0.00 ATOM 830 N LEU 100 25.884 28.615 29.594 1.00 0.00 ATOM 831 CA LEU 100 27.039 27.860 30.088 1.00 0.00 ATOM 832 CB LEU 100 27.932 28.752 30.955 1.00 0.00 ATOM 833 CG LEU 100 28.694 29.859 30.225 1.00 0.00 ATOM 834 CD1 LEU 100 29.393 30.775 31.217 1.00 0.00 ATOM 835 CD2 LEU 100 29.749 29.267 29.302 1.00 0.00 ATOM 836 O LEU 100 27.194 25.595 30.853 1.00 0.00 ATOM 837 C LEU 100 26.607 26.667 30.917 1.00 0.00 ATOM 838 N ASP 101 25.561 26.860 31.714 1.00 0.00 ATOM 839 CA ASP 101 25.083 25.797 32.562 1.00 0.00 ATOM 840 CB ASP 101 23.964 26.305 33.474 1.00 0.00 ATOM 841 CG ASP 101 24.473 27.229 34.562 1.00 0.00 ATOM 842 OD1 ASP 101 25.705 27.286 34.766 1.00 0.00 ATOM 843 OD2 ASP 101 23.643 27.899 35.210 1.00 0.00 ATOM 844 O ASP 101 24.851 23.458 32.017 1.00 0.00 ATOM 845 C ASP 101 24.530 24.618 31.753 1.00 0.00 ATOM 846 N ALA 102 23.735 24.996 30.793 1.00 0.00 ATOM 847 CA ALA 102 23.098 24.005 29.923 1.00 0.00 ATOM 848 CB ALA 102 22.178 24.690 28.924 1.00 0.00 ATOM 849 O ALA 102 23.936 22.031 28.816 1.00 0.00 ATOM 850 C ALA 102 24.127 23.222 29.114 1.00 0.00 ATOM 851 N LEU 103 25.210 23.908 28.778 1.00 0.00 ATOM 852 CA LEU 103 26.305 23.344 28.003 1.00 0.00 ATOM 853 CB LEU 103 27.100 24.508 27.346 1.00 0.00 ATOM 854 CG LEU 103 26.349 25.349 26.304 1.00 0.00 ATOM 855 CD1 LEU 103 27.184 26.593 25.969 1.00 0.00 ATOM 856 CD2 LEU 103 26.089 24.520 25.076 1.00 0.00 ATOM 857 O LEU 103 27.966 21.655 28.301 1.00 0.00 ATOM 858 C LEU 103 27.211 22.468 28.841 1.00 0.00 ATOM 859 N PHE 104 27.160 22.627 30.155 1.00 0.00 ATOM 860 CA PHE 104 28.008 21.832 31.022 1.00 0.00 ATOM 861 CB PHE 104 27.815 22.242 32.483 1.00 0.00 ATOM 862 CG PHE 104 28.663 21.464 33.449 1.00 0.00 ATOM 863 CD1 PHE 104 30.002 21.770 33.618 1.00 0.00 ATOM 864 CD2 PHE 104 28.122 20.427 34.187 1.00 0.00 ATOM 865 CE1 PHE 104 30.782 21.055 34.507 1.00 0.00 ATOM 866 CE2 PHE 104 28.902 19.711 35.075 1.00 0.00 ATOM 867 CZ PHE 104 30.226 20.021 35.237 1.00 0.00 ATOM 868 O PHE 104 28.584 19.534 30.657 1.00 0.00 ATOM 869 C PHE 104 27.686 20.356 30.836 1.00 0.00 ATOM 870 N ALA 105 26.400 20.010 30.851 1.00 0.00 ATOM 871 CA ALA 105 25.967 18.626 30.686 1.00 0.00 ATOM 872 CB ALA 105 24.462 18.514 30.877 1.00 0.00 ATOM 873 O ALA 105 26.720 16.904 29.173 1.00 0.00 ATOM 874 C ALA 105 26.357 18.074 29.324 1.00 0.00 ATOM 875 N ASP 106 26.321 18.915 28.305 1.00 0.00 ATOM 876 CA ASP 106 26.666 18.522 26.938 1.00 0.00 ATOM 877 CB ASP 106 25.521 18.493 26.043 1.00 0.00 ATOM 878 CG ASP 106 24.547 19.650 26.086 1.00 0.00 ATOM 879 OD1 ASP 106 24.724 20.569 26.898 1.00 0.00 ATOM 880 OD2 ASP 106 23.594 19.607 25.262 1.00 0.00 ATOM 881 O ASP 106 27.674 20.189 25.531 1.00 0.00 ATOM 882 C ASP 106 27.836 19.345 26.420 1.00 0.00 ATOM 883 N ASP 107 29.042 19.060 27.060 1.00 0.00 ATOM 884 CA ASP 107 30.242 19.757 26.622 1.00 0.00 ATOM 885 CB ASP 107 31.460 19.273 27.410 1.00 0.00 ATOM 886 CG ASP 107 31.465 19.773 28.841 1.00 0.00 ATOM 887 OD1 ASP 107 30.666 20.677 29.158 1.00 0.00 ATOM 888 OD2 ASP 107 32.271 19.259 29.646 1.00 0.00 ATOM 889 O ASP 107 30.910 20.436 24.381 1.00 0.00 ATOM 890 C ASP 107 30.514 19.503 25.128 1.00 0.00 ATOM 891 N ALA 108 30.277 18.264 24.694 1.00 0.00 ATOM 892 CA ALA 108 30.510 17.919 23.277 1.00 0.00 ATOM 893 CB ALA 108 30.185 16.445 23.091 1.00 0.00 ATOM 894 O ALA 108 30.062 19.179 21.290 1.00 0.00 ATOM 895 C ALA 108 29.628 18.763 22.361 1.00 0.00 ATOM 896 N SER 109 28.389 19.042 22.795 1.00 0.00 ATOM 897 CA SER 109 27.484 19.844 21.975 1.00 0.00 ATOM 898 CB SER 109 26.095 19.964 22.617 1.00 0.00 ATOM 899 OG SER 109 25.449 18.694 22.679 1.00 0.00 ATOM 900 O SER 109 28.072 21.695 20.662 1.00 0.00 ATOM 901 C SER 109 28.076 21.243 21.828 1.00 0.00 ATOM 902 N LEU 110 28.566 21.813 22.909 1.00 0.00 ATOM 903 CA LEU 110 29.142 23.145 22.855 1.00 0.00 ATOM 904 CB LEU 110 29.496 23.585 24.281 1.00 0.00 ATOM 905 CG LEU 110 30.037 24.988 24.469 1.00 0.00 ATOM 906 CD1 LEU 110 29.158 26.016 23.760 1.00 0.00 ATOM 907 CD2 LEU 110 30.147 25.294 25.942 1.00 0.00 ATOM 908 O LEU 110 30.505 24.106 21.132 1.00 0.00 ATOM 909 C LEU 110 30.367 23.173 21.921 1.00 0.00 ATOM 910 N GLU 111 31.226 22.191 22.081 1.00 0.00 ATOM 911 CA GLU 111 32.395 22.040 21.174 1.00 0.00 ATOM 912 CB GLU 111 33.190 20.783 21.530 1.00 0.00 ATOM 913 CG GLU 111 33.949 20.880 22.844 1.00 0.00 ATOM 914 CD GLU 111 34.625 19.576 23.225 1.00 0.00 ATOM 915 OE1 GLU 111 34.438 18.576 22.500 1.00 0.00 ATOM 916 OE2 GLU 111 35.341 19.555 24.247 1.00 0.00 ATOM 917 O GLU 111 32.620 22.389 18.817 1.00 0.00 ATOM 918 C GLU 111 31.991 21.868 19.697 1.00 0.00 ATOM 919 N HIS 112 30.915 21.090 19.430 1.00 0.00 ATOM 920 CA HIS 112 30.442 20.887 18.076 1.00 0.00 ATOM 921 CB HIS 112 29.225 19.959 18.114 1.00 0.00 ATOM 922 CG HIS 112 29.549 18.556 18.520 1.00 0.00 ATOM 923 CD2 HIS 112 30.765 17.768 18.655 1.00 0.00 ATOM 924 ND1 HIS 112 28.581 17.646 18.888 1.00 0.00 ATOM 925 CE1 HIS 112 29.172 16.478 19.197 1.00 0.00 ATOM 926 NE2 HIS 112 30.483 16.545 19.060 1.00 0.00 ATOM 927 O HIS 112 30.573 22.523 16.327 1.00 0.00 ATOM 928 C HIS 112 30.084 22.219 17.421 1.00 0.00 ATOM 929 N HIS 113 29.387 23.097 18.140 1.00 0.00 ATOM 930 CA HIS 113 29.037 24.412 17.607 1.00 0.00 ATOM 931 CB HIS 113 28.106 25.173 18.554 1.00 0.00 ATOM 932 CG HIS 113 27.730 26.536 18.064 1.00 0.00 ATOM 933 CD2 HIS 113 28.066 27.903 18.436 1.00 0.00 ATOM 934 ND1 HIS 113 26.865 26.737 17.010 1.00 0.00 ATOM 935 CE1 HIS 113 26.722 28.058 16.804 1.00 0.00 ATOM 936 NE2 HIS 113 27.440 28.763 17.657 1.00 0.00 ATOM 937 O HIS 113 30.407 26.015 16.447 1.00 0.00 ATOM 938 C HIS 113 30.232 25.337 17.474 1.00 0.00 ATOM 939 N HIS 114 31.048 25.369 18.498 1.00 0.00 ATOM 940 CA HIS 114 32.240 26.215 18.586 1.00 0.00 ATOM 941 CB HIS 114 32.912 26.043 19.950 1.00 0.00 ATOM 942 CG HIS 114 34.132 26.890 20.134 1.00 0.00 ATOM 943 CD2 HIS 114 35.569 26.653 20.152 1.00 0.00 ATOM 944 ND1 HIS 114 34.069 28.250 20.349 1.00 0.00 ATOM 945 CE1 HIS 114 35.317 28.732 20.476 1.00 0.00 ATOM 946 NE2 HIS 114 36.222 27.779 20.359 1.00 0.00 ATOM 947 O HIS 114 33.767 26.821 16.799 1.00 0.00 ATOM 948 C HIS 114 33.283 25.908 17.489 1.00 0.00 ATOM 949 N HIS 115 33.584 24.643 17.297 1.00 0.00 ATOM 950 CA HIS 115 34.535 24.226 16.272 1.00 0.00 ATOM 951 CB HIS 115 34.807 22.724 16.365 1.00 0.00 ATOM 952 CG HIS 115 35.801 22.226 15.363 1.00 0.00 ATOM 953 CD2 HIS 115 35.747 21.385 14.176 1.00 0.00 ATOM 954 ND1 HIS 115 37.140 22.542 15.425 1.00 0.00 ATOM 955 CE1 HIS 115 37.777 21.952 14.396 1.00 0.00 ATOM 956 NE2 HIS 115 36.947 21.256 13.644 1.00 0.00 ATOM 957 O HIS 115 34.727 25.010 13.971 1.00 0.00 ATOM 958 C HIS 115 34.003 24.541 14.840 1.00 0.00 ATOM 959 N HIS 116 32.734 24.281 14.610 1.00 0.00 ATOM 960 CA HIS 116 32.092 24.558 13.318 1.00 0.00 ATOM 961 CB HIS 116 30.650 24.048 13.317 1.00 0.00 ATOM 962 CG HIS 116 30.536 22.556 13.319 1.00 0.00 ATOM 963 CD2 HIS 116 31.445 21.444 13.074 1.00 0.00 ATOM 964 ND1 HIS 116 29.358 21.898 13.602 1.00 0.00 ATOM 965 CE1 HIS 116 29.567 20.572 13.528 1.00 0.00 ATOM 966 NE2 HIS 116 30.817 20.292 13.210 1.00 0.00 ATOM 967 O HIS 116 32.328 26.478 11.891 1.00 0.00 ATOM 968 C HIS 116 32.071 26.047 13.022 1.00 0.00 ATOM 969 N HIS 117 31.868 26.855 14.054 1.00 0.00 ATOM 970 CA HIS 117 31.820 28.305 13.880 1.00 0.00 ATOM 971 CB HIS 117 31.412 28.987 15.187 1.00 0.00 ATOM 972 CG HIS 117 31.284 30.475 15.076 1.00 0.00 ATOM 973 CD2 HIS 117 32.046 31.620 15.553 1.00 0.00 ATOM 974 ND1 HIS 117 30.254 31.085 14.395 1.00 0.00 ATOM 975 CE1 HIS 117 30.408 32.420 14.472 1.00 0.00 ATOM 976 NE2 HIS 117 31.481 32.748 15.164 1.00 0.00 ATOM 977 O HIS 117 33.283 29.736 12.605 1.00 0.00 ATOM 978 C HIS 117 33.185 28.852 13.464 1.00 0.00 TER END