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 1 Wed Jul 19 22:47:55 2006 MODEL 1 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 18.500 26.658 16.319 1.00 0.00 ATOM 2 CA MET 1 17.706 27.574 15.462 1.00 0.00 ATOM 3 CB MET 1 18.407 28.911 15.073 1.00 0.00 ATOM 4 CG MET 1 18.235 29.561 13.674 1.00 0.00 ATOM 5 SD MET 1 19.712 29.589 12.586 1.00 0.00 ATOM 6 CE MET 1 20.703 30.944 13.171 1.00 0.00 ATOM 7 O MET 1 17.667 25.632 14.051 1.00 0.00 ATOM 8 C MET 1 17.197 26.751 14.290 1.00 0.00 ATOM 9 N THR 2 16.086 27.225 13.792 1.00 0.00 ATOM 10 CA THR 2 15.359 26.552 12.710 1.00 0.00 ATOM 11 CB THR 2 13.859 26.614 12.987 1.00 0.00 ATOM 12 CG2 THR 2 13.525 25.829 14.233 1.00 0.00 ATOM 13 OG1 THR 2 13.447 27.971 13.155 1.00 0.00 ATOM 14 O THR 2 15.051 26.682 10.341 1.00 0.00 ATOM 15 C THR 2 15.673 27.147 11.318 1.00 0.00 ATOM 16 N THR 3 16.606 28.110 11.276 1.00 0.00 ATOM 17 CA THR 3 16.827 28.733 9.920 1.00 0.00 ATOM 18 CB THR 3 17.157 30.226 10.068 1.00 0.00 ATOM 19 CG2 THR 3 17.327 30.965 8.735 1.00 0.00 ATOM 20 OG1 THR 3 16.107 30.847 10.813 1.00 0.00 ATOM 21 O THR 3 17.916 28.133 7.853 1.00 0.00 ATOM 22 C THR 3 17.894 28.021 9.068 1.00 0.00 ATOM 23 N HIS 4 18.844 27.369 9.736 1.00 0.00 ATOM 24 CA HIS 4 19.968 26.740 9.030 1.00 0.00 ATOM 25 CB HIS 4 21.271 27.470 9.334 1.00 0.00 ATOM 26 CG HIS 4 21.250 28.888 8.750 1.00 0.00 ATOM 27 CD2 HIS 4 21.021 30.036 9.385 1.00 0.00 ATOM 28 ND1 HIS 4 21.466 29.175 7.473 1.00 0.00 ATOM 29 CE1 HIS 4 21.310 30.476 7.324 1.00 0.00 ATOM 30 NE2 HIS 4 21.074 31.028 8.503 1.00 0.00 ATOM 31 O HIS 4 19.843 24.806 10.487 1.00 0.00 ATOM 32 C HIS 4 20.131 25.262 9.370 1.00 0.00 ATOM 33 N ASP 5 20.583 24.463 8.323 1.00 0.00 ATOM 34 CA ASP 5 20.939 23.067 8.575 1.00 0.00 ATOM 35 CB ASP 5 21.436 22.422 7.283 1.00 0.00 ATOM 36 CG ASP 5 20.343 22.324 6.239 1.00 0.00 ATOM 37 OD1 ASP 5 19.164 22.332 6.650 1.00 0.00 ATOM 38 OD2 ASP 5 20.710 22.333 5.052 1.00 0.00 ATOM 39 O ASP 5 21.814 21.882 10.474 1.00 0.00 ATOM 40 C ASP 5 21.958 22.818 9.684 1.00 0.00 ATOM 41 N ARG 6 22.964 23.677 9.741 1.00 0.00 ATOM 42 CA ARG 6 24.003 23.539 10.760 1.00 0.00 ATOM 43 CB ARG 6 25.059 24.620 10.621 1.00 0.00 ATOM 44 CG ARG 6 25.860 24.413 9.345 1.00 0.00 ATOM 45 CD ARG 6 27.236 25.048 9.513 1.00 0.00 ATOM 46 NE ARG 6 27.145 26.477 9.806 1.00 0.00 ATOM 47 CZ ARG 6 27.049 27.379 8.850 1.00 0.00 ATOM 48 NH1 ARG 6 27.120 27.013 7.569 1.00 0.00 ATOM 49 NH2 ARG 6 26.810 28.645 9.163 1.00 0.00 ATOM 50 O ARG 6 23.689 22.825 13.038 1.00 0.00 ATOM 51 C ARG 6 23.427 23.666 12.172 1.00 0.00 ATOM 52 N VAL 7 22.559 24.651 12.340 1.00 0.00 ATOM 53 CA VAL 7 21.903 24.827 13.651 1.00 0.00 ATOM 54 CB VAL 7 21.228 26.191 13.860 1.00 0.00 ATOM 55 CG1 VAL 7 22.226 27.341 13.799 1.00 0.00 ATOM 56 CG2 VAL 7 20.143 26.449 12.840 1.00 0.00 ATOM 57 O VAL 7 20.851 23.234 15.100 1.00 0.00 ATOM 58 C VAL 7 20.911 23.716 13.968 1.00 0.00 ATOM 59 N ARG 8 20.109 23.297 12.970 1.00 0.00 ATOM 60 CA ARG 8 19.129 22.237 13.183 1.00 0.00 ATOM 61 CB ARG 8 18.418 21.991 11.871 1.00 0.00 ATOM 62 CG ARG 8 17.350 20.916 12.022 1.00 0.00 ATOM 63 CD ARG 8 16.772 20.677 10.641 1.00 0.00 ATOM 64 NE ARG 8 16.146 21.935 10.197 1.00 0.00 ATOM 65 CZ ARG 8 16.067 22.373 8.944 1.00 0.00 ATOM 66 NH1 ARG 8 16.581 21.653 7.973 1.00 0.00 ATOM 67 NH2 ARG 8 15.466 23.531 8.662 1.00 0.00 ATOM 68 O ARG 8 19.321 20.281 14.535 1.00 0.00 ATOM 69 C ARG 8 19.825 20.942 13.626 1.00 0.00 ATOM 70 N LEU 9 20.959 20.654 13.008 1.00 0.00 ATOM 71 CA LEU 9 21.769 19.472 13.377 1.00 0.00 ATOM 72 CB LEU 9 23.042 19.398 12.555 1.00 0.00 ATOM 73 CG LEU 9 23.972 18.220 12.859 1.00 0.00 ATOM 74 CD1 LEU 9 23.245 16.895 12.655 1.00 0.00 ATOM 75 CD2 LEU 9 25.190 18.301 11.955 1.00 0.00 ATOM 76 O LEU 9 22.128 18.570 15.593 1.00 0.00 ATOM 77 C LEU 9 22.210 19.565 14.831 1.00 0.00 ATOM 78 N GLN 10 22.646 20.752 15.255 1.00 0.00 ATOM 79 CA GLN 10 23.097 20.946 16.649 1.00 0.00 ATOM 80 CB GLN 10 23.508 22.398 16.871 1.00 0.00 ATOM 81 CG GLN 10 24.761 22.818 16.122 1.00 0.00 ATOM 82 CD GLN 10 25.972 22.000 16.555 1.00 0.00 ATOM 83 OE1 GLN 10 26.311 21.836 17.712 1.00 0.00 ATOM 84 NE2 GLN 10 26.647 21.519 15.550 1.00 0.00 ATOM 85 O GLN 10 22.113 20.056 18.646 1.00 0.00 ATOM 86 C GLN 10 21.948 20.722 17.627 1.00 0.00 ATOM 87 N LEU 11 20.792 21.295 17.298 1.00 0.00 ATOM 88 CA LEU 11 19.615 21.181 18.150 1.00 0.00 ATOM 89 CB LEU 11 18.470 22.075 17.643 1.00 0.00 ATOM 90 CG LEU 11 17.216 21.974 18.521 1.00 0.00 ATOM 91 CD1 LEU 11 17.475 22.404 19.965 1.00 0.00 ATOM 92 CD2 LEU 11 16.107 22.831 17.924 1.00 0.00 ATOM 93 O LEU 11 18.910 19.237 19.369 1.00 0.00 ATOM 94 C LEU 11 19.207 19.717 18.274 1.00 0.00 ATOM 95 N GLN 12 19.192 19.000 17.152 1.00 0.00 ATOM 96 CA GLN 12 18.826 17.590 17.192 1.00 0.00 ATOM 97 CB GLN 12 18.764 17.084 15.751 1.00 0.00 ATOM 98 CG GLN 12 18.377 15.615 15.783 1.00 0.00 ATOM 99 CD GLN 12 18.065 15.059 14.411 1.00 0.00 ATOM 100 OE1 GLN 12 18.695 15.350 13.398 1.00 0.00 ATOM 101 NE2 GLN 12 17.086 14.199 14.389 1.00 0.00 ATOM 102 O GLN 12 19.430 15.896 18.791 1.00 0.00 ATOM 103 C GLN 12 19.822 16.771 18.021 1.00 0.00 ATOM 104 N ALA 13 21.129 17.088 17.901 1.00 0.00 ATOM 105 CA ALA 13 22.166 16.388 18.648 1.00 0.00 ATOM 106 CB ALA 13 23.530 16.913 18.234 1.00 0.00 ATOM 107 O ALA 13 22.090 15.615 20.930 1.00 0.00 ATOM 108 C ALA 13 22.002 16.576 20.163 1.00 0.00 ATOM 109 N LEU 14 21.625 17.789 20.555 1.00 0.00 ATOM 110 CA LEU 14 21.322 18.115 21.957 1.00 0.00 ATOM 111 CB LEU 14 20.903 19.575 22.079 1.00 0.00 ATOM 112 CG LEU 14 20.662 19.969 23.530 1.00 0.00 ATOM 113 CD1 LEU 14 21.997 19.955 24.230 1.00 0.00 ATOM 114 CD2 LEU 14 20.020 21.337 23.647 1.00 0.00 ATOM 115 O LEU 14 20.052 16.839 23.552 1.00 0.00 ATOM 116 C LEU 14 20.086 17.352 22.432 1.00 0.00 ATOM 117 N GLU 15 19.086 17.300 21.582 1.00 0.00 ATOM 118 CA GLU 15 17.869 16.580 21.940 1.00 0.00 ATOM 119 CB GLU 15 16.975 16.682 20.699 1.00 0.00 ATOM 120 CG GLU 15 15.509 16.654 21.109 1.00 0.00 ATOM 121 CD GLU 15 14.617 16.618 19.877 1.00 0.00 ATOM 122 OE1 GLU 15 14.613 17.638 19.156 1.00 0.00 ATOM 123 OE2 GLU 15 13.904 15.605 19.737 1.00 0.00 ATOM 124 O GLU 15 17.910 14.624 23.302 1.00 0.00 ATOM 125 C GLU 15 18.197 15.108 22.216 1.00 0.00 ATOM 126 N ALA 16 19.091 14.573 21.397 1.00 0.00 ATOM 127 CA ALA 16 19.509 13.173 21.495 1.00 0.00 ATOM 128 CB ALA 16 20.222 12.827 20.206 1.00 0.00 ATOM 129 O ALA 16 20.093 11.941 23.452 1.00 0.00 ATOM 130 C ALA 16 20.402 12.862 22.705 1.00 0.00 ATOM 131 N LEU 17 21.362 13.733 22.978 1.00 0.00 ATOM 132 CA LEU 17 22.297 13.549 24.105 1.00 0.00 ATOM 133 CB LEU 17 23.390 14.618 24.118 1.00 0.00 ATOM 134 CG LEU 17 24.414 14.460 22.981 1.00 0.00 ATOM 135 CD1 LEU 17 25.312 15.681 23.017 1.00 0.00 ATOM 136 CD2 LEU 17 25.307 13.227 23.125 1.00 0.00 ATOM 137 O LEU 17 21.679 12.653 26.314 1.00 0.00 ATOM 138 C LEU 17 21.612 13.555 25.482 1.00 0.00 ATOM 139 N LEU 18 20.798 14.576 25.632 1.00 0.00 ATOM 140 CA LEU 18 20.014 14.808 26.834 1.00 0.00 ATOM 141 CB LEU 18 19.467 16.172 26.489 1.00 0.00 ATOM 142 CG LEU 18 18.446 16.724 27.444 1.00 0.00 ATOM 143 CD1 LEU 18 19.138 16.962 28.744 1.00 0.00 ATOM 144 CD2 LEU 18 18.112 18.118 26.933 1.00 0.00 ATOM 145 O LEU 18 18.836 13.212 28.183 1.00 0.00 ATOM 146 C LEU 18 18.951 13.730 27.079 1.00 0.00 ATOM 147 N ARG 19 18.255 13.371 25.999 1.00 0.00 ATOM 148 CA ARG 19 17.285 12.257 26.034 1.00 0.00 ATOM 149 CB ARG 19 16.624 12.035 24.686 1.00 0.00 ATOM 150 CG ARG 19 15.589 13.095 24.387 1.00 0.00 ATOM 151 CD ARG 19 15.173 12.856 22.945 1.00 0.00 ATOM 152 NE ARG 19 14.224 13.890 22.526 1.00 0.00 ATOM 153 CZ ARG 19 12.951 13.963 22.890 1.00 0.00 ATOM 154 NH1 ARG 19 12.412 13.047 23.702 1.00 0.00 ATOM 155 NH2 ARG 19 12.196 14.899 22.357 1.00 0.00 ATOM 156 O ARG 19 17.399 10.185 27.235 1.00 0.00 ATOM 157 C ARG 19 17.963 10.962 26.468 1.00 0.00 ATOM 158 N GLU 20 19.189 10.739 25.982 1.00 0.00 ATOM 159 CA GLU 20 19.940 9.537 26.330 1.00 0.00 ATOM 160 CB GLU 20 21.250 9.530 25.529 1.00 0.00 ATOM 161 CG GLU 20 22.019 8.218 25.745 1.00 0.00 ATOM 162 CD GLU 20 23.384 8.130 25.050 1.00 0.00 ATOM 163 OE1 GLU 20 23.751 9.040 24.287 1.00 0.00 ATOM 164 OE2 GLU 20 24.149 7.248 25.493 1.00 0.00 ATOM 165 O GLU 20 20.119 8.471 28.485 1.00 0.00 ATOM 166 C GLU 20 20.252 9.504 27.826 1.00 0.00 ATOM 167 N HIS 21 20.653 10.615 28.319 1.00 0.00 ATOM 168 CA HIS 21 20.964 10.744 29.739 1.00 0.00 ATOM 169 CB HIS 21 21.823 11.957 30.093 1.00 0.00 ATOM 170 CG HIS 21 23.268 11.916 29.615 1.00 0.00 ATOM 171 CD2 HIS 21 23.848 12.643 28.666 1.00 0.00 ATOM 172 ND1 HIS 21 24.192 11.129 30.156 1.00 0.00 ATOM 173 CE1 HIS 21 25.329 11.341 29.499 1.00 0.00 ATOM 174 NE2 HIS 21 25.126 12.294 28.595 1.00 0.00 ATOM 175 O HIS 21 19.712 9.734 31.514 1.00 0.00 ATOM 176 C HIS 21 19.690 10.495 30.552 1.00 0.00 ATOM 177 N GLN 22 18.420 11.028 29.940 1.00 0.00 ATOM 178 CA GLN 22 17.237 11.094 30.791 1.00 0.00 ATOM 179 CB GLN 22 17.325 12.284 31.759 1.00 0.00 ATOM 180 CG GLN 22 16.121 12.529 32.679 1.00 0.00 ATOM 181 CD GLN 22 15.796 11.305 33.522 1.00 0.00 ATOM 182 OE1 GLN 22 16.644 10.461 33.791 1.00 0.00 ATOM 183 NE2 GLN 22 14.568 11.183 33.942 1.00 0.00 ATOM 184 O GLN 22 16.169 12.122 28.917 1.00 0.00 ATOM 185 C GLN 22 16.028 11.360 29.869 1.00 0.00 ATOM 186 N HIS 23 14.831 11.075 30.368 1.00 0.00 ATOM 187 CA HIS 23 13.594 11.273 29.581 1.00 0.00 ATOM 188 CB HIS 23 13.102 9.824 29.177 1.00 0.00 ATOM 189 CG HIS 23 14.071 8.961 28.421 1.00 0.00 ATOM 190 CD2 HIS 23 14.626 9.121 27.195 1.00 0.00 ATOM 191 ND1 HIS 23 14.616 7.806 28.943 1.00 0.00 ATOM 192 CE1 HIS 23 15.466 7.290 28.068 1.00 0.00 ATOM 193 NE2 HIS 23 15.490 8.069 27.001 1.00 0.00 ATOM 194 O HIS 23 11.297 11.965 29.649 1.00 0.00 ATOM 195 C HIS 23 12.348 11.899 30.268 1.00 0.00 ATOM 196 N TRP 24 12.434 12.352 31.524 1.00 0.00 ATOM 197 CA TRP 24 11.226 12.879 32.206 1.00 0.00 ATOM 198 CB TRP 24 10.751 11.922 33.297 1.00 0.00 ATOM 199 CG TRP 24 10.247 10.663 32.628 1.00 0.00 ATOM 200 CD1 TRP 24 10.940 9.530 32.495 1.00 0.00 ATOM 201 CD2 TRP 24 9.013 10.506 32.031 1.00 0.00 ATOM 202 CE2 TRP 24 9.018 9.212 31.574 1.00 0.00 ATOM 203 CE3 TRP 24 7.896 11.312 31.853 1.00 0.00 ATOM 204 NE1 TRP 24 10.182 8.647 31.841 1.00 0.00 ATOM 205 CZ2 TRP 24 7.871 8.753 30.977 1.00 0.00 ATOM 206 CZ3 TRP 24 6.751 10.829 31.230 1.00 0.00 ATOM 207 CH2 TRP 24 6.737 9.519 30.790 1.00 0.00 ATOM 208 O TRP 24 10.162 14.732 33.177 1.00 0.00 ATOM 209 C TRP 24 11.248 14.256 32.848 1.00 0.00 ATOM 210 N ARG 25 12.391 14.520 33.479 1.00 0.00 ATOM 211 CA ARG 25 12.475 15.660 34.394 1.00 0.00 ATOM 212 CB ARG 25 13.457 15.369 35.558 1.00 0.00 ATOM 213 CG ARG 25 14.965 15.071 35.359 1.00 0.00 ATOM 214 CD ARG 25 15.609 14.011 36.283 1.00 0.00 ATOM 215 NE ARG 25 17.087 13.933 36.105 1.00 0.00 ATOM 216 CZ ARG 25 17.845 12.821 36.082 1.00 0.00 ATOM 217 NH1 ARG 25 19.130 12.856 35.703 1.00 0.00 ATOM 218 NH2 ARG 25 17.324 11.607 36.163 1.00 0.00 ATOM 219 O ARG 25 13.389 17.640 33.327 1.00 0.00 ATOM 220 C ARG 25 12.376 16.964 33.589 1.00 0.00 ATOM 221 N ASN 26 11.142 17.306 33.213 1.00 0.00 ATOM 222 CA ASN 26 10.797 18.547 32.510 1.00 0.00 ATOM 223 CB ASN 26 11.393 19.853 33.028 1.00 0.00 ATOM 224 CG ASN 26 11.091 21.178 32.335 1.00 0.00 ATOM 225 ND2 ASN 26 10.950 22.161 33.178 1.00 0.00 ATOM 226 OD1 ASN 26 11.325 21.452 31.159 1.00 0.00 ATOM 227 O ASN 26 12.671 18.226 31.150 1.00 0.00 ATOM 228 C ASN 26 11.468 18.419 31.159 1.00 0.00 ATOM 229 N ASP 27 10.756 18.835 30.113 1.00 0.00 ATOM 230 CA ASP 27 11.357 19.021 28.783 1.00 0.00 ATOM 231 CB ASP 27 11.077 17.757 27.950 1.00 0.00 ATOM 232 CG ASP 27 11.830 16.518 28.432 1.00 0.00 ATOM 233 OD1 ASP 27 12.329 16.512 29.579 1.00 0.00 ATOM 234 OD2 ASP 27 11.915 15.550 27.655 1.00 0.00 ATOM 235 O ASP 27 11.583 20.871 27.437 1.00 0.00 ATOM 236 C ASP 27 10.762 20.165 27.974 1.00 0.00 ATOM 237 N GLU 28 9.435 20.344 27.856 1.00 0.00 ATOM 238 CA GLU 28 8.808 21.409 27.017 1.00 0.00 ATOM 239 CB GLU 28 7.327 21.077 26.838 1.00 0.00 ATOM 240 CG GLU 28 6.572 22.109 25.989 1.00 0.00 ATOM 241 CD GLU 28 5.081 21.855 25.870 1.00 0.00 ATOM 242 OE1 GLU 28 4.640 20.826 26.408 1.00 0.00 ATOM 243 OE2 GLU 28 4.420 22.751 25.318 1.00 0.00 ATOM 244 O GLU 28 9.409 23.663 26.473 1.00 0.00 ATOM 245 C GLU 28 9.061 22.881 27.355 1.00 0.00 ATOM 246 N PRO 29 8.740 23.331 28.666 1.00 0.00 ATOM 247 CA PRO 29 8.942 24.722 29.094 1.00 0.00 ATOM 248 CB PRO 29 8.710 24.662 30.603 1.00 0.00 ATOM 249 CG PRO 29 7.766 23.530 30.761 1.00 0.00 ATOM 250 CD PRO 29 8.284 22.500 29.793 1.00 0.00 ATOM 251 O PRO 29 10.537 26.323 28.294 1.00 0.00 ATOM 252 C PRO 29 10.349 25.189 28.729 1.00 0.00 ATOM 253 N GLN 30 11.240 24.202 28.664 1.00 0.00 ATOM 254 CA GLN 30 12.599 24.349 28.108 1.00 0.00 ATOM 255 CB GLN 30 13.334 23.034 28.447 1.00 0.00 ATOM 256 CG GLN 30 14.814 22.897 28.089 1.00 0.00 ATOM 257 CD GLN 30 15.684 23.977 28.741 1.00 0.00 ATOM 258 OE1 GLN 30 15.635 24.247 29.917 1.00 0.00 ATOM 259 NE2 GLN 30 16.301 24.811 27.961 1.00 0.00 ATOM 260 O GLN 30 13.043 25.953 26.437 1.00 0.00 ATOM 261 C GLN 30 12.590 24.827 26.633 1.00 0.00 ATOM 262 N PRO 31 12.008 24.157 25.604 1.00 0.00 ATOM 263 CA PRO 31 11.905 24.631 24.218 1.00 0.00 ATOM 264 CB PRO 31 11.009 23.621 23.522 1.00 0.00 ATOM 265 CG PRO 31 11.314 22.285 24.170 1.00 0.00 ATOM 266 CD PRO 31 11.900 22.689 25.507 1.00 0.00 ATOM 267 O PRO 31 11.758 26.845 23.271 1.00 0.00 ATOM 268 C PRO 31 11.328 26.050 24.110 1.00 0.00 ATOM 269 N HIS 32 10.315 26.376 24.974 1.00 0.00 ATOM 270 CA HIS 32 9.714 27.699 24.914 1.00 0.00 ATOM 271 CB HIS 32 8.571 27.763 25.925 1.00 0.00 ATOM 272 CG HIS 32 7.314 27.047 25.409 1.00 0.00 ATOM 273 CD2 HIS 32 6.690 26.026 25.979 1.00 0.00 ATOM 274 ND1 HIS 32 6.634 27.400 24.325 1.00 0.00 ATOM 275 CE1 HIS 32 5.561 26.597 24.242 1.00 0.00 ATOM 276 NE2 HIS 32 5.612 25.739 25.250 1.00 0.00 ATOM 277 O HIS 32 10.872 29.771 24.570 1.00 0.00 ATOM 278 C HIS 32 10.784 28.739 25.229 1.00 0.00 ATOM 279 N GLN 33 11.616 28.506 26.267 1.00 0.00 ATOM 280 CA GLN 33 12.673 29.434 26.661 1.00 0.00 ATOM 281 CB GLN 33 13.253 29.078 28.021 1.00 0.00 ATOM 282 CG GLN 33 13.977 30.271 28.671 1.00 0.00 ATOM 283 CD GLN 33 13.055 31.476 28.835 1.00 0.00 ATOM 284 OE1 GLN 33 12.067 31.415 29.572 1.00 0.00 ATOM 285 NE2 GLN 33 13.329 32.567 28.109 1.00 0.00 ATOM 286 O GLN 33 14.292 30.587 25.335 1.00 0.00 ATOM 287 C GLN 33 13.754 29.519 25.586 1.00 0.00 ATOM 288 N PHE 34 14.111 28.382 24.962 1.00 0.00 ATOM 289 CA PHE 34 15.125 28.352 23.909 1.00 0.00 ATOM 290 CB PHE 34 15.025 26.845 23.196 1.00 0.00 ATOM 291 CG PHE 34 16.201 26.318 22.379 1.00 0.00 ATOM 292 CD1 PHE 34 17.194 25.604 23.063 1.00 0.00 ATOM 293 CD2 PHE 34 16.336 26.508 21.028 1.00 0.00 ATOM 294 CE1 PHE 34 18.288 25.099 22.357 1.00 0.00 ATOM 295 CE2 PHE 34 17.406 25.996 20.315 1.00 0.00 ATOM 296 CZ PHE 34 18.389 25.283 20.994 1.00 0.00 ATOM 297 O PHE 34 15.521 29.567 21.869 1.00 0.00 ATOM 298 C PHE 34 14.686 29.133 22.663 1.00 0.00 ATOM 299 N ASN 35 13.318 29.382 22.491 1.00 0.00 ATOM 300 CA ASN 35 12.795 30.136 21.365 1.00 0.00 ATOM 301 CB ASN 35 11.399 29.630 21.047 1.00 0.00 ATOM 302 CG ASN 35 11.447 28.189 20.537 1.00 0.00 ATOM 303 ND2 ASN 35 10.313 27.553 20.577 1.00 0.00 ATOM 304 OD1 ASN 35 12.465 27.614 20.177 1.00 0.00 ATOM 305 O ASN 35 13.139 32.377 20.644 1.00 0.00 ATOM 306 C ASN 35 12.746 31.650 21.545 1.00 0.00 ATOM 307 N SER 36 12.357 32.103 22.727 1.00 0.00 ATOM 308 CA SER 36 12.429 33.551 23.006 1.00 0.00 ATOM 309 CB SER 36 11.429 33.940 24.102 1.00 0.00 ATOM 310 OG SER 36 10.115 33.553 23.669 1.00 0.00 ATOM 311 O SER 36 14.062 35.258 23.308 1.00 0.00 ATOM 312 C SER 36 13.845 34.032 23.253 1.00 0.00 ATOM 313 N THR 37 14.779 33.091 23.303 1.00 0.00 ATOM 314 CA THR 37 16.178 33.446 23.467 1.00 0.00 ATOM 315 CB THR 37 16.860 32.229 24.121 1.00 0.00 ATOM 316 CG2 THR 37 18.374 32.338 24.182 1.00 0.00 ATOM 317 OG1 THR 37 16.414 32.106 25.466 1.00 0.00 ATOM 318 O THR 37 17.759 34.716 22.136 1.00 0.00 ATOM 319 C THR 37 16.918 33.816 22.180 1.00 0.00 ATOM 320 N GLN 38 16.861 32.846 21.276 1.00 0.00 ATOM 321 CA GLN 38 17.673 32.834 20.065 1.00 0.00 ATOM 322 CB GLN 38 17.614 31.471 19.420 1.00 0.00 ATOM 323 CG GLN 38 18.524 30.443 20.083 1.00 0.00 ATOM 324 CD GLN 38 18.725 29.400 19.005 1.00 0.00 ATOM 325 OE1 GLN 38 19.515 29.476 18.073 1.00 0.00 ATOM 326 NE2 GLN 38 17.739 28.579 18.836 1.00 0.00 ATOM 327 O GLN 38 18.318 34.698 18.773 1.00 0.00 ATOM 328 C GLN 38 17.375 33.966 19.076 1.00 0.00 ATOM 329 N PRO 39 16.116 34.224 18.671 1.00 0.00 ATOM 330 CA PRO 39 15.790 35.417 17.881 1.00 0.00 ATOM 331 CB PRO 39 14.304 35.271 17.554 1.00 0.00 ATOM 332 CG PRO 39 14.078 33.767 17.523 1.00 0.00 ATOM 333 CD PRO 39 14.983 33.276 18.646 1.00 0.00 ATOM 334 O PRO 39 16.815 37.590 17.995 1.00 0.00 ATOM 335 C PRO 39 16.351 36.652 18.646 1.00 0.00 ATOM 336 N PHE 40 16.305 36.670 20.056 1.00 0.00 ATOM 337 CA PHE 40 16.853 37.784 20.834 1.00 0.00 ATOM 338 CB PHE 40 16.687 37.520 22.330 1.00 0.00 ATOM 339 CG PHE 40 15.300 37.887 22.816 1.00 0.00 ATOM 340 CD1 PHE 40 14.266 38.141 21.920 1.00 0.00 ATOM 341 CD2 PHE 40 15.049 37.884 24.183 1.00 0.00 ATOM 342 CE1 PHE 40 13.021 38.451 22.404 1.00 0.00 ATOM 343 CE2 PHE 40 13.775 38.154 24.659 1.00 0.00 ATOM 344 CZ PHE 40 12.769 38.461 23.754 1.00 0.00 ATOM 345 O PHE 40 18.735 39.184 20.211 1.00 0.00 ATOM 346 C PHE 40 18.316 38.083 20.566 1.00 0.00 ATOM 347 N PHE 41 19.068 37.017 20.741 1.00 0.00 ATOM 348 CA PHE 41 20.490 37.060 20.416 1.00 0.00 ATOM 349 CB PHE 41 21.097 35.755 20.909 1.00 0.00 ATOM 350 CG PHE 41 21.101 35.512 22.422 1.00 0.00 ATOM 351 CD1 PHE 41 20.258 36.249 23.258 1.00 0.00 ATOM 352 CD2 PHE 41 21.849 34.484 22.975 1.00 0.00 ATOM 353 CE1 PHE 41 20.166 35.961 24.595 1.00 0.00 ATOM 354 CE2 PHE 41 21.757 34.190 24.333 1.00 0.00 ATOM 355 CZ PHE 41 20.915 34.933 25.149 1.00 0.00 ATOM 356 O PHE 41 21.659 37.964 18.525 1.00 0.00 ATOM 357 C PHE 41 20.661 37.366 18.931 1.00 0.00 ATOM 358 N MET 42 19.639 36.891 18.100 1.00 0.00 ATOM 359 CA MET 42 19.674 37.125 16.659 1.00 0.00 ATOM 360 CB MET 42 18.492 36.400 16.012 1.00 0.00 ATOM 361 CG MET 42 18.659 36.236 14.505 1.00 0.00 ATOM 362 SD MET 42 17.136 35.639 13.698 1.00 0.00 ATOM 363 CE MET 42 15.975 36.906 14.164 1.00 0.00 ATOM 364 O MET 42 20.579 38.987 15.519 1.00 0.00 ATOM 365 C MET 42 19.686 38.611 16.259 1.00 0.00 ATOM 366 N ASP 43 18.911 39.469 16.933 1.00 0.00 ATOM 367 CA ASP 43 19.023 40.937 16.734 1.00 0.00 ATOM 368 CB ASP 43 17.931 41.687 17.519 1.00 0.00 ATOM 369 CG ASP 43 16.590 41.749 16.762 1.00 0.00 ATOM 370 OD1 ASP 43 16.665 41.903 15.528 1.00 0.00 ATOM 371 OD2 ASP 43 15.520 41.753 17.408 1.00 0.00 ATOM 372 O ASP 43 20.960 42.330 16.562 1.00 0.00 ATOM 373 C ASP 43 20.399 41.420 17.162 1.00 0.00 ATOM 374 N THR 44 20.943 40.808 18.205 1.00 0.00 ATOM 375 CA THR 44 22.238 41.212 18.726 1.00 0.00 ATOM 376 CB THR 44 22.270 40.451 20.074 1.00 0.00 ATOM 377 CG2 THR 44 23.618 40.326 20.779 1.00 0.00 ATOM 378 OG1 THR 44 21.337 41.001 20.999 1.00 0.00 ATOM 379 O THR 44 24.002 41.942 17.316 1.00 0.00 ATOM 380 C THR 44 23.434 40.948 17.760 1.00 0.00 ATOM 381 N MET 45 23.901 39.637 17.656 1.00 0.00 ATOM 382 CA MET 45 25.213 39.180 17.107 1.00 0.00 ATOM 383 CB MET 45 26.346 39.383 18.137 1.00 0.00 ATOM 384 CG MET 45 26.548 40.785 18.689 1.00 0.00 ATOM 385 SD MET 45 27.296 41.806 17.380 1.00 0.00 ATOM 386 CE MET 45 28.893 41.018 17.250 1.00 0.00 ATOM 387 O MET 45 24.229 37.452 15.753 1.00 0.00 ATOM 388 C MET 45 25.247 37.880 16.351 1.00 0.00 ATOM 389 N GLU 46 26.489 36.872 16.764 1.00 0.00 ATOM 390 CA GLU 46 26.630 35.583 16.100 1.00 0.00 ATOM 391 CB GLU 46 28.197 35.263 15.909 1.00 0.00 ATOM 392 CG GLU 46 29.126 36.430 15.619 1.00 0.00 ATOM 393 CD GLU 46 28.857 36.990 14.237 1.00 0.00 ATOM 394 OE1 GLU 46 28.388 36.210 13.379 1.00 0.00 ATOM 395 OE2 GLU 46 29.103 38.199 14.063 1.00 0.00 ATOM 396 O GLU 46 25.642 33.813 17.444 1.00 0.00 ATOM 397 C GLU 46 25.655 34.392 16.353 1.00 0.00 ATOM 398 N PRO 47 24.901 33.913 15.355 1.00 0.00 ATOM 399 CA PRO 47 23.813 32.931 15.549 1.00 0.00 ATOM 400 CB PRO 47 23.045 32.883 14.240 1.00 0.00 ATOM 401 CG PRO 47 23.396 34.195 13.540 1.00 0.00 ATOM 402 CD PRO 47 24.839 34.456 13.980 1.00 0.00 ATOM 403 O PRO 47 23.606 31.012 16.877 1.00 0.00 ATOM 404 C PRO 47 24.275 31.570 16.009 1.00 0.00 ATOM 405 N LEU 48 25.321 30.934 15.361 1.00 0.00 ATOM 406 CA LEU 48 25.687 29.554 15.714 1.00 0.00 ATOM 407 CB LEU 48 26.799 29.068 14.768 1.00 0.00 ATOM 408 CG LEU 48 26.344 28.925 13.315 1.00 0.00 ATOM 409 CD1 LEU 48 27.552 28.609 12.428 1.00 0.00 ATOM 410 CD2 LEU 48 25.350 27.780 13.156 1.00 0.00 ATOM 411 O LEU 48 25.861 28.551 17.885 1.00 0.00 ATOM 412 C LEU 48 26.210 29.481 17.148 1.00 0.00 ATOM 413 N GLU 49 26.871 30.571 17.559 1.00 0.00 ATOM 414 CA GLU 49 27.376 30.749 18.927 1.00 0.00 ATOM 415 CB GLU 49 28.242 32.000 19.028 1.00 0.00 ATOM 416 CG GLU 49 29.596 31.842 18.313 1.00 0.00 ATOM 417 CD GLU 49 30.413 30.668 18.867 1.00 0.00 ATOM 418 OE1 GLU 49 30.664 30.662 20.100 1.00 0.00 ATOM 419 OE2 GLU 49 30.769 29.796 18.042 1.00 0.00 ATOM 420 O GLU 49 26.288 30.322 21.024 1.00 0.00 ATOM 421 C GLU 49 26.215 30.857 19.916 1.00 0.00 ATOM 422 N TRP 50 25.130 31.533 19.524 1.00 0.00 ATOM 423 CA TRP 50 23.971 31.667 20.410 1.00 0.00 ATOM 424 CB TRP 50 22.898 32.542 19.764 1.00 0.00 ATOM 425 CG TRP 50 23.421 33.945 19.486 1.00 0.00 ATOM 426 CD1 TRP 50 23.010 34.677 18.452 1.00 0.00 ATOM 427 CD2 TRP 50 24.341 34.687 20.208 1.00 0.00 ATOM 428 CE2 TRP 50 24.450 35.864 19.517 1.00 0.00 ATOM 429 CE3 TRP 50 25.112 34.474 21.355 1.00 0.00 ATOM 430 NE1 TRP 50 23.634 35.845 18.470 1.00 0.00 ATOM 431 CZ2 TRP 50 25.341 36.810 19.968 1.00 0.00 ATOM 432 CZ3 TRP 50 26.003 35.439 21.769 1.00 0.00 ATOM 433 CH2 TRP 50 26.143 36.603 21.054 1.00 0.00 ATOM 434 O TRP 50 22.944 29.964 21.753 1.00 0.00 ATOM 435 C TRP 50 23.288 30.337 20.632 1.00 0.00 ATOM 436 N LEU 51 23.211 29.585 19.537 1.00 0.00 ATOM 437 CA LEU 51 22.633 28.245 19.558 1.00 0.00 ATOM 438 CB LEU 51 22.691 27.647 18.157 1.00 0.00 ATOM 439 CG LEU 51 22.228 26.190 18.197 1.00 0.00 ATOM 440 CD1 LEU 51 20.738 26.075 18.397 1.00 0.00 ATOM 441 CD2 LEU 51 22.622 25.497 16.921 1.00 0.00 ATOM 442 O LEU 51 22.800 26.725 21.378 1.00 0.00 ATOM 443 C LEU 51 23.411 27.353 20.521 1.00 0.00 ATOM 444 N GLN 52 24.723 27.271 20.288 1.00 0.00 ATOM 445 CA GLN 52 25.641 26.435 21.090 1.00 0.00 ATOM 446 CB GLN 52 27.065 26.600 20.603 1.00 0.00 ATOM 447 CG GLN 52 27.311 25.871 19.297 1.00 0.00 ATOM 448 CD GLN 52 28.691 26.232 18.753 1.00 0.00 ATOM 449 OE1 GLN 52 29.483 27.034 19.211 1.00 0.00 ATOM 450 NE2 GLN 52 29.070 25.543 17.724 1.00 0.00 ATOM 451 O GLN 52 25.631 25.996 23.433 1.00 0.00 ATOM 452 C GLN 52 25.599 26.858 22.557 1.00 0.00 ATOM 453 N TRP 53 25.518 28.165 22.805 1.00 0.00 ATOM 454 CA TRP 53 25.407 28.694 24.156 1.00 0.00 ATOM 455 CB TRP 53 25.616 30.211 24.119 1.00 0.00 ATOM 456 CG TRP 53 27.093 30.612 24.015 1.00 0.00 ATOM 457 CD1 TRP 53 28.139 29.789 23.976 1.00 0.00 ATOM 458 CD2 TRP 53 27.597 31.898 24.060 1.00 0.00 ATOM 459 CE2 TRP 53 28.969 31.772 24.102 1.00 0.00 ATOM 460 CE3 TRP 53 27.017 33.171 24.186 1.00 0.00 ATOM 461 NE1 TRP 53 29.269 30.487 24.022 1.00 0.00 ATOM 462 CZ2 TRP 53 29.765 32.895 24.244 1.00 0.00 ATOM 463 CZ3 TRP 53 27.832 34.286 24.368 1.00 0.00 ATOM 464 CH2 TRP 53 29.206 34.147 24.376 1.00 0.00 ATOM 465 O TRP 53 24.079 28.295 26.115 1.00 0.00 ATOM 466 C TRP 53 24.114 28.333 24.882 1.00 0.00 ATOM 467 N VAL 54 23.078 28.039 24.161 1.00 0.00 ATOM 468 CA VAL 54 21.817 27.628 24.777 1.00 0.00 ATOM 469 CB VAL 54 20.518 28.265 24.279 1.00 0.00 ATOM 470 CG1 VAL 54 19.518 28.392 25.431 1.00 0.00 ATOM 471 CG2 VAL 54 20.742 29.635 23.643 1.00 0.00 ATOM 472 O VAL 54 21.329 25.528 25.769 1.00 0.00 ATOM 473 C VAL 54 21.685 26.107 24.761 1.00 0.00 ATOM 474 N LEU 55 22.091 25.464 23.675 1.00 0.00 ATOM 475 CA LEU 55 21.969 24.024 23.452 1.00 0.00 ATOM 476 CB LEU 55 22.583 23.783 22.076 1.00 0.00 ATOM 477 CG LEU 55 22.186 22.446 21.487 1.00 0.00 ATOM 478 CD1 LEU 55 20.824 22.621 20.830 1.00 0.00 ATOM 479 CD2 LEU 55 23.208 21.968 20.479 1.00 0.00 ATOM 480 O LEU 55 22.146 22.545 25.358 1.00 0.00 ATOM 481 C LEU 55 22.736 23.233 24.523 1.00 0.00 ATOM 482 N ILE 56 24.037 23.509 24.591 1.00 0.00 ATOM 483 CA ILE 56 24.949 22.827 25.525 1.00 0.00 ATOM 484 CB ILE 56 26.417 23.258 25.286 1.00 0.00 ATOM 485 CG1 ILE 56 26.889 22.900 23.881 1.00 0.00 ATOM 486 CG2 ILE 56 27.376 22.690 26.340 1.00 0.00 ATOM 487 CD1 ILE 56 28.185 23.642 23.569 1.00 0.00 ATOM 488 O ILE 56 24.258 22.106 27.694 1.00 0.00 ATOM 489 C ILE 56 24.503 23.082 26.986 1.00 0.00 ATOM 490 N PRO 57 24.288 24.353 27.382 1.00 0.00 ATOM 491 CA PRO 57 23.748 24.704 28.702 1.00 0.00 ATOM 492 CB PRO 57 23.793 26.234 28.738 1.00 0.00 ATOM 493 CG PRO 57 25.087 26.486 27.963 1.00 0.00 ATOM 494 CD PRO 57 24.854 25.571 26.764 1.00 0.00 ATOM 495 O PRO 57 22.089 23.664 30.041 1.00 0.00 ATOM 496 C PRO 57 22.337 24.181 28.961 1.00 0.00 ATOM 497 N ARG 58 21.530 24.038 27.917 1.00 0.00 ATOM 498 CA ARG 58 20.164 23.491 28.027 1.00 0.00 ATOM 499 CB ARG 58 19.437 23.589 26.680 1.00 0.00 ATOM 500 CG ARG 58 18.201 22.723 26.563 1.00 0.00 ATOM 501 CD ARG 58 17.411 23.084 25.307 1.00 0.00 ATOM 502 NE ARG 58 16.211 22.242 25.278 1.00 0.00 ATOM 503 CZ ARG 58 16.146 20.963 24.911 1.00 0.00 ATOM 504 NH1 ARG 58 17.191 20.278 24.451 1.00 0.00 ATOM 505 NH2 ARG 58 14.985 20.371 24.930 1.00 0.00 ATOM 506 O ARG 58 19.478 21.647 29.399 1.00 0.00 ATOM 507 C ARG 58 20.243 22.040 28.524 1.00 0.00 ATOM 508 N MET 59 21.068 21.243 27.847 1.00 0.00 ATOM 509 CA MET 59 21.333 19.856 28.303 1.00 0.00 ATOM 510 CB MET 59 22.408 19.157 27.470 1.00 0.00 ATOM 511 CG MET 59 22.987 17.838 27.990 1.00 0.00 ATOM 512 SD MET 59 24.442 17.174 27.097 1.00 0.00 ATOM 513 CE MET 59 25.633 18.487 27.265 1.00 0.00 ATOM 514 O MET 59 21.420 18.928 30.480 1.00 0.00 ATOM 515 C MET 59 21.810 19.836 29.759 1.00 0.00 ATOM 516 N HIS 60 22.728 20.741 30.087 1.00 0.00 ATOM 517 CA HIS 60 23.290 20.842 31.448 1.00 0.00 ATOM 518 CB HIS 60 24.293 21.997 31.569 1.00 0.00 ATOM 519 CG HIS 60 24.998 21.934 32.934 1.00 0.00 ATOM 520 CD2 HIS 60 24.801 22.763 33.956 1.00 0.00 ATOM 521 ND1 HIS 60 25.994 21.111 33.233 1.00 0.00 ATOM 522 CE1 HIS 60 26.412 21.442 34.442 1.00 0.00 ATOM 523 NE2 HIS 60 25.683 22.452 34.896 1.00 0.00 ATOM 524 O HIS 60 22.069 20.294 33.446 1.00 0.00 ATOM 525 C HIS 60 22.165 21.033 32.464 1.00 0.00 ATOM 526 N ASP 61 21.298 22.027 32.236 1.00 0.00 ATOM 527 CA ASP 61 20.199 22.310 33.153 1.00 0.00 ATOM 528 CB ASP 61 19.428 23.532 32.630 1.00 0.00 ATOM 529 CG ASP 61 20.233 24.839 32.600 1.00 0.00 ATOM 530 OD1 ASP 61 20.898 25.155 33.601 1.00 0.00 ATOM 531 OD2 ASP 61 20.252 25.472 31.515 1.00 0.00 ATOM 532 O ASP 61 18.934 20.671 34.403 1.00 0.00 ATOM 533 C ASP 61 19.231 21.126 33.304 1.00 0.00 ATOM 534 N LEU 62 18.904 20.506 32.172 1.00 0.00 ATOM 535 CA LEU 62 17.977 19.351 32.177 1.00 0.00 ATOM 536 CB LEU 62 17.566 18.999 30.748 1.00 0.00 ATOM 537 CG LEU 62 16.173 18.370 30.572 1.00 0.00 ATOM 538 CD1 LEU 62 15.508 19.171 29.460 1.00 0.00 ATOM 539 CD2 LEU 62 16.022 16.884 30.227 1.00 0.00 ATOM 540 O LEU 62 17.934 17.440 33.668 1.00 0.00 ATOM 541 C LEU 62 18.585 18.130 32.876 1.00 0.00 ATOM 542 N LEU 63 19.843 17.865 32.561 1.00 0.00 ATOM 543 CA LEU 63 20.550 16.706 33.111 1.00 0.00 ATOM 544 CB LEU 63 21.540 16.134 32.102 1.00 0.00 ATOM 545 CG LEU 63 20.917 15.466 30.896 1.00 0.00 ATOM 546 CD1 LEU 63 22.010 15.139 29.884 1.00 0.00 ATOM 547 CD2 LEU 63 19.908 14.371 31.232 1.00 0.00 ATOM 548 O LEU 63 22.238 16.197 34.651 1.00 0.00 ATOM 549 C LEU 63 21.355 17.005 34.374 1.00 0.00 ATOM 550 N ASP 64 21.033 18.073 35.105 1.00 0.00 ATOM 551 CA ASP 64 21.829 18.435 36.281 1.00 0.00 ATOM 552 CB ASP 64 21.219 19.648 36.968 1.00 0.00 ATOM 553 CG ASP 64 21.760 20.934 36.356 1.00 0.00 ATOM 554 OD1 ASP 64 22.878 20.929 35.787 1.00 0.00 ATOM 555 OD2 ASP 64 21.124 21.939 36.687 1.00 0.00 ATOM 556 O ASP 64 21.221 16.306 37.260 1.00 0.00 ATOM 557 C ASP 64 21.968 17.306 37.291 1.00 0.00 ATOM 558 N ASN 65 22.912 17.503 38.201 1.00 0.00 ATOM 559 CA ASN 65 23.092 16.542 39.300 1.00 0.00 ATOM 560 CB ASN 65 24.385 16.831 40.063 1.00 0.00 ATOM 561 CG ASN 65 25.623 16.530 39.212 1.00 0.00 ATOM 562 ND2 ASN 65 26.723 17.111 39.621 1.00 0.00 ATOM 563 OD1 ASN 65 25.666 15.711 38.314 1.00 0.00 ATOM 564 O ASN 65 21.784 15.691 41.116 1.00 0.00 ATOM 565 C ASN 65 21.819 16.435 40.142 1.00 0.00 ATOM 566 N LYS 66 20.710 17.163 39.726 1.00 0.00 ATOM 567 CA LYS 66 19.384 17.088 40.367 1.00 0.00 ATOM 568 CB LYS 66 19.009 15.817 41.148 1.00 0.00 ATOM 569 CG LYS 66 17.952 16.062 42.213 1.00 0.00 ATOM 570 CD LYS 66 17.791 14.846 43.101 1.00 0.00 ATOM 571 CE LYS 66 16.920 15.244 44.285 1.00 0.00 ATOM 572 NZ LYS 66 16.808 14.062 45.130 1.00 0.00 ATOM 573 O LYS 66 18.537 19.128 41.332 1.00 0.00 ATOM 574 C LYS 66 19.392 18.242 41.375 1.00 0.00 ATOM 575 N GLN 67 20.352 18.169 42.256 1.00 0.00 ATOM 576 CA GLN 67 20.477 19.186 43.296 1.00 0.00 ATOM 577 CB GLN 67 21.493 18.574 44.249 1.00 0.00 ATOM 578 CG GLN 67 20.948 17.333 44.933 1.00 0.00 ATOM 579 CD GLN 67 21.974 16.842 45.945 1.00 0.00 ATOM 580 OE1 GLN 67 22.973 17.451 46.287 1.00 0.00 ATOM 581 NE2 GLN 67 21.686 15.687 46.477 1.00 0.00 ATOM 582 O GLN 67 20.945 21.299 44.185 1.00 0.00 ATOM 583 C GLN 67 20.708 20.703 43.135 1.00 0.00 ATOM 584 N PRO 68 20.947 21.421 41.980 1.00 0.00 ATOM 585 CA PRO 68 21.443 20.752 40.768 1.00 0.00 ATOM 586 CB PRO 68 20.930 21.671 39.643 1.00 0.00 ATOM 587 CG PRO 68 20.753 23.076 40.225 1.00 0.00 ATOM 588 CD PRO 68 20.700 22.858 41.740 1.00 0.00 ATOM 589 O PRO 68 23.711 19.741 40.973 1.00 0.00 ATOM 590 C PRO 68 22.963 20.725 40.931 1.00 0.00 ATOM 591 N LEU 69 23.389 22.043 41.221 1.00 0.00 ATOM 592 CA LEU 69 24.763 22.430 41.518 1.00 0.00 ATOM 593 CB LEU 69 25.750 21.698 40.586 1.00 0.00 ATOM 594 CG LEU 69 25.735 22.223 39.154 1.00 0.00 ATOM 595 CD1 LEU 69 26.923 21.640 38.414 1.00 0.00 ATOM 596 CD2 LEU 69 24.467 21.897 38.381 1.00 0.00 ATOM 597 O LEU 69 24.326 24.588 40.508 1.00 0.00 ATOM 598 C LEU 69 24.929 23.953 41.376 1.00 0.00 ATOM 599 N PRO 70 25.957 24.468 42.041 1.00 0.00 ATOM 600 CA PRO 70 26.415 25.858 41.867 1.00 0.00 ATOM 601 CB PRO 70 27.663 26.002 42.712 1.00 0.00 ATOM 602 CG PRO 70 27.282 25.052 43.823 1.00 0.00 ATOM 603 CD PRO 70 26.709 23.833 43.120 1.00 0.00 ATOM 604 O PRO 70 26.900 27.313 40.025 1.00 0.00 ATOM 605 C PRO 70 26.826 26.141 40.416 1.00 0.00 ATOM 606 N GLY 71 27.039 25.032 39.581 1.00 0.00 ATOM 607 CA GLY 71 27.313 25.123 38.176 1.00 0.00 ATOM 608 O GLY 71 26.379 26.788 36.738 1.00 0.00 ATOM 609 C GLY 71 26.171 25.758 37.405 1.00 0.00 ATOM 610 N ALA 72 24.982 25.153 37.514 1.00 0.00 ATOM 611 CA ALA 72 23.819 25.718 36.755 1.00 0.00 ATOM 612 CB ALA 72 22.633 24.784 36.968 1.00 0.00 ATOM 613 O ALA 72 23.309 28.068 36.650 1.00 0.00 ATOM 614 C ALA 72 23.601 27.100 37.359 1.00 0.00 ATOM 615 N PHE 73 23.776 27.195 38.677 1.00 0.00 ATOM 616 CA PHE 73 23.635 28.475 39.354 1.00 0.00 ATOM 617 CB PHE 73 23.874 28.281 40.854 1.00 0.00 ATOM 618 CG PHE 73 23.965 29.630 41.583 1.00 0.00 ATOM 619 CD1 PHE 73 22.800 30.284 41.910 1.00 0.00 ATOM 620 CD2 PHE 73 25.206 30.155 41.948 1.00 0.00 ATOM 621 CE1 PHE 73 22.874 31.448 42.629 1.00 0.00 ATOM 622 CE2 PHE 73 25.269 31.333 42.690 1.00 0.00 ATOM 623 CZ PHE 73 24.093 31.963 43.032 1.00 0.00 ATOM 624 O PHE 73 24.175 30.581 38.337 1.00 0.00 ATOM 625 C PHE 73 24.580 29.488 38.749 1.00 0.00 ATOM 626 N ALA 74 25.956 29.225 38.754 1.00 0.00 ATOM 627 CA ALA 74 27.003 30.114 38.332 1.00 0.00 ATOM 628 CB ALA 74 28.347 29.477 38.701 1.00 0.00 ATOM 629 O ALA 74 27.314 31.558 36.426 1.00 0.00 ATOM 630 C ALA 74 27.010 30.433 36.836 1.00 0.00 ATOM 631 N VAL 75 26.675 29.428 36.030 1.00 0.00 ATOM 632 CA VAL 75 26.356 29.651 34.597 1.00 0.00 ATOM 633 CB VAL 75 25.961 28.344 33.899 1.00 0.00 ATOM 634 CG1 VAL 75 25.365 28.525 32.509 1.00 0.00 ATOM 635 CG2 VAL 75 27.234 27.536 33.655 1.00 0.00 ATOM 636 O VAL 75 25.261 31.492 33.524 1.00 0.00 ATOM 637 C VAL 75 25.237 30.701 34.467 1.00 0.00 ATOM 638 N ALA 76 24.356 30.751 35.461 1.00 0.00 ATOM 639 CA ALA 76 23.278 31.742 35.432 1.00 0.00 ATOM 640 CB ALA 76 22.111 31.376 36.343 1.00 0.00 ATOM 641 O ALA 76 23.712 33.908 34.521 1.00 0.00 ATOM 642 C ALA 76 23.823 33.197 35.527 1.00 0.00 ATOM 643 N PRO 77 24.657 33.623 36.494 1.00 0.00 ATOM 644 CA PRO 77 25.211 34.990 36.527 1.00 0.00 ATOM 645 CB PRO 77 25.912 35.165 37.875 1.00 0.00 ATOM 646 CG PRO 77 26.230 33.731 38.266 1.00 0.00 ATOM 647 CD PRO 77 24.968 33.022 37.788 1.00 0.00 ATOM 648 O PRO 77 26.228 36.489 34.967 1.00 0.00 ATOM 649 C PRO 77 26.143 35.337 35.379 1.00 0.00 ATOM 650 N TYR 78 26.723 34.298 34.783 1.00 0.00 ATOM 651 CA TYR 78 27.517 34.470 33.557 1.00 0.00 ATOM 652 CB TYR 78 27.921 33.098 33.032 1.00 0.00 ATOM 653 CG TYR 78 28.818 33.220 31.813 1.00 0.00 ATOM 654 CD1 TYR 78 30.177 33.546 31.872 1.00 0.00 ATOM 655 CD2 TYR 78 28.252 32.892 30.609 1.00 0.00 ATOM 656 CE1 TYR 78 30.950 33.543 30.714 1.00 0.00 ATOM 657 CE2 TYR 78 29.063 32.889 29.515 1.00 0.00 ATOM 658 CZ TYR 78 30.385 33.195 29.505 1.00 0.00 ATOM 659 OH TYR 78 30.988 33.363 28.300 1.00 0.00 ATOM 660 O TYR 78 26.998 36.121 31.877 1.00 0.00 ATOM 661 C TYR 78 26.643 35.107 32.482 1.00 0.00 ATOM 662 N TYR 79 25.482 34.505 32.220 1.00 0.00 ATOM 663 CA TYR 79 24.541 35.026 31.244 1.00 0.00 ATOM 664 CB TYR 79 23.477 33.961 30.970 1.00 0.00 ATOM 665 CG TYR 79 24.058 32.797 30.167 1.00 0.00 ATOM 666 CD1 TYR 79 24.012 31.499 30.639 1.00 0.00 ATOM 667 CD2 TYR 79 24.588 33.033 28.902 1.00 0.00 ATOM 668 CE1 TYR 79 24.483 30.456 29.859 1.00 0.00 ATOM 669 CE2 TYR 79 25.010 31.986 28.120 1.00 0.00 ATOM 670 CZ TYR 79 24.992 30.689 28.603 1.00 0.00 ATOM 671 OH TYR 79 25.616 29.707 27.923 1.00 0.00 ATOM 672 O TYR 79 23.724 37.228 30.811 1.00 0.00 ATOM 673 C TYR 79 23.898 36.358 31.662 1.00 0.00 ATOM 674 N GLU 80 23.699 36.522 32.974 1.00 0.00 ATOM 675 CA GLU 80 23.206 37.791 33.556 1.00 0.00 ATOM 676 CB GLU 80 23.314 37.724 35.080 1.00 0.00 ATOM 677 CG GLU 80 22.559 38.869 35.761 1.00 0.00 ATOM 678 CD GLU 80 22.734 38.862 37.281 1.00 0.00 ATOM 679 OE1 GLU 80 23.350 37.921 37.828 1.00 0.00 ATOM 680 OE2 GLU 80 22.187 39.819 37.865 1.00 0.00 ATOM 681 O GLU 80 23.649 39.928 32.490 1.00 0.00 ATOM 682 C GLU 80 24.093 38.962 33.117 1.00 0.00 ATOM 683 N MET 81 25.387 38.715 33.300 1.00 0.00 ATOM 684 CA MET 81 26.422 39.715 33.002 1.00 0.00 ATOM 685 CB MET 81 27.773 39.299 33.543 1.00 0.00 ATOM 686 CG MET 81 27.829 39.273 35.054 1.00 0.00 ATOM 687 SD MET 81 29.574 39.017 35.518 1.00 0.00 ATOM 688 CE MET 81 29.810 37.334 34.990 1.00 0.00 ATOM 689 O MET 81 26.924 41.035 31.063 1.00 0.00 ATOM 690 C MET 81 26.724 39.914 31.523 1.00 0.00 ATOM 691 N ALA 82 26.755 38.786 30.761 1.00 0.00 ATOM 692 CA ALA 82 27.025 38.864 29.335 1.00 0.00 ATOM 693 CB ALA 82 26.797 37.506 28.669 1.00 0.00 ATOM 694 O ALA 82 26.644 40.724 27.817 1.00 0.00 ATOM 695 C ALA 82 26.162 39.899 28.592 1.00 0.00 ATOM 696 N LEU 83 24.810 39.890 28.938 1.00 0.00 ATOM 697 CA LEU 83 23.857 40.845 28.383 1.00 0.00 ATOM 698 CB LEU 83 22.445 40.500 28.845 1.00 0.00 ATOM 699 CG LEU 83 21.338 41.376 28.230 1.00 0.00 ATOM 700 CD1 LEU 83 21.032 42.652 29.018 1.00 0.00 ATOM 701 CD2 LEU 83 21.563 41.546 26.730 1.00 0.00 ATOM 702 O LEU 83 23.624 43.155 28.026 1.00 0.00 ATOM 703 C LEU 83 23.812 42.279 28.849 1.00 0.00 ATOM 704 N ALA 84 23.900 42.436 30.124 1.00 0.00 ATOM 705 CA ALA 84 23.922 43.785 30.714 1.00 0.00 ATOM 706 CB ALA 84 24.059 43.589 32.220 1.00 0.00 ATOM 707 O ALA 84 24.662 45.788 29.600 1.00 0.00 ATOM 708 C ALA 84 24.936 44.640 29.953 1.00 0.00 ATOM 709 N THR 85 26.105 44.028 29.623 1.00 0.00 ATOM 710 CA THR 85 27.161 44.725 28.896 1.00 0.00 ATOM 711 CB THR 85 28.473 43.940 29.052 1.00 0.00 ATOM 712 CG2 THR 85 29.644 44.550 28.260 1.00 0.00 ATOM 713 OG1 THR 85 28.824 43.901 30.433 1.00 0.00 ATOM 714 O THR 85 27.033 45.875 26.792 1.00 0.00 ATOM 715 C THR 85 26.797 44.838 27.410 1.00 0.00 ATOM 716 N ASP 86 26.397 43.718 26.796 1.00 0.00 ATOM 717 CA ASP 86 25.948 43.734 25.389 1.00 0.00 ATOM 718 CB ASP 86 26.769 42.702 24.599 1.00 0.00 ATOM 719 CG ASP 86 28.278 42.983 24.442 1.00 0.00 ATOM 720 OD1 ASP 86 28.631 44.038 23.870 1.00 0.00 ATOM 721 OD2 ASP 86 29.055 42.061 24.756 1.00 0.00 ATOM 722 O ASP 86 23.982 42.430 24.917 1.00 0.00 ATOM 723 C ASP 86 24.412 43.560 25.171 1.00 0.00 ATOM 724 N HIS 87 23.636 44.724 25.220 1.00 0.00 ATOM 725 CA HIS 87 22.200 44.926 24.781 1.00 0.00 ATOM 726 CB HIS 87 21.908 44.136 23.500 1.00 0.00 ATOM 727 CG HIS 87 22.961 44.398 22.432 1.00 0.00 ATOM 728 CD2 HIS 87 23.693 43.473 21.828 1.00 0.00 ATOM 729 ND1 HIS 87 23.320 45.590 21.999 1.00 0.00 ATOM 730 CE1 HIS 87 24.272 45.381 21.096 1.00 0.00 ATOM 731 NE2 HIS 87 24.515 44.089 20.975 1.00 0.00 ATOM 732 O HIS 87 21.304 44.325 26.847 1.00 0.00 ATOM 733 C HIS 87 20.999 44.674 25.748 1.00 0.00 ATOM 734 N PRO 88 19.691 44.920 25.523 1.00 0.00 ATOM 735 CA PRO 88 18.593 44.526 26.481 1.00 0.00 ATOM 736 CB PRO 88 17.376 45.330 26.044 1.00 0.00 ATOM 737 CG PRO 88 18.033 46.593 25.539 1.00 0.00 ATOM 738 CD PRO 88 19.213 46.069 24.736 1.00 0.00 ATOM 739 O PRO 88 17.296 42.951 27.640 1.00 0.00 ATOM 740 C PRO 88 18.061 43.125 26.686 1.00 0.00 ATOM 741 N GLN 89 18.295 42.209 25.753 1.00 0.00 ATOM 742 CA GLN 89 17.660 40.886 25.808 1.00 0.00 ATOM 743 CB GLN 89 17.486 40.482 24.332 1.00 0.00 ATOM 744 CG GLN 89 16.727 41.477 23.462 1.00 0.00 ATOM 745 CD GLN 89 15.207 41.468 23.702 1.00 0.00 ATOM 746 OE1 GLN 89 14.679 41.168 24.756 1.00 0.00 ATOM 747 NE2 GLN 89 14.484 41.746 22.651 1.00 0.00 ATOM 748 O GLN 89 17.537 38.864 27.126 1.00 0.00 ATOM 749 C GLN 89 18.255 39.674 26.541 1.00 0.00 ATOM 750 N ARG 90 19.576 39.477 26.459 1.00 0.00 ATOM 751 CA ARG 90 20.260 38.328 27.085 1.00 0.00 ATOM 752 CB ARG 90 21.762 38.251 26.670 1.00 0.00 ATOM 753 CG ARG 90 22.211 38.786 25.301 1.00 0.00 ATOM 754 CD ARG 90 23.598 39.419 25.425 1.00 0.00 ATOM 755 NE ARG 90 24.239 39.192 24.153 1.00 0.00 ATOM 756 CZ ARG 90 25.517 39.239 23.848 1.00 0.00 ATOM 757 NH1 ARG 90 26.546 39.585 24.629 1.00 0.00 ATOM 758 NH2 ARG 90 25.729 38.822 22.630 1.00 0.00 ATOM 759 O ARG 90 19.734 37.161 29.105 1.00 0.00 ATOM 760 C ARG 90 19.909 38.256 28.573 1.00 0.00 ATOM 761 N ALA 91 19.814 39.427 29.329 1.00 0.00 ATOM 762 CA ALA 91 19.445 39.429 30.773 1.00 0.00 ATOM 763 CB ALA 91 19.660 40.908 31.272 1.00 0.00 ATOM 764 O ALA 91 17.803 38.278 32.071 1.00 0.00 ATOM 765 C ALA 91 18.025 38.975 31.081 1.00 0.00 ATOM 766 N LEU 92 17.075 39.381 30.237 1.00 0.00 ATOM 767 CA LEU 92 15.698 38.848 30.289 1.00 0.00 ATOM 768 CB LEU 92 14.811 39.461 29.204 1.00 0.00 ATOM 769 CG LEU 92 14.491 40.952 29.421 1.00 0.00 ATOM 770 CD1 LEU 92 13.744 41.485 28.195 1.00 0.00 ATOM 771 CD2 LEU 92 13.602 41.172 30.638 1.00 0.00 ATOM 772 O LEU 92 15.052 36.602 30.854 1.00 0.00 ATOM 773 C LEU 92 15.690 37.325 30.092 1.00 0.00 ATOM 774 N ILE 93 16.658 36.897 29.278 1.00 0.00 ATOM 775 CA ILE 93 16.979 35.466 29.054 1.00 0.00 ATOM 776 CB ILE 93 18.043 35.284 27.951 1.00 0.00 ATOM 777 CG1 ILE 93 17.530 35.820 26.614 1.00 0.00 ATOM 778 CG2 ILE 93 18.579 33.851 27.821 1.00 0.00 ATOM 779 CD1 ILE 93 16.178 35.242 26.185 1.00 0.00 ATOM 780 O ILE 93 17.056 33.837 30.851 1.00 0.00 ATOM 781 C ILE 93 17.485 34.896 30.384 1.00 0.00 ATOM 782 N LEU 94 18.378 35.629 31.002 1.00 0.00 ATOM 783 CA LEU 94 18.932 35.143 32.254 1.00 0.00 ATOM 784 CB LEU 94 20.028 36.034 32.848 1.00 0.00 ATOM 785 CG LEU 94 20.283 35.326 34.172 1.00 0.00 ATOM 786 CD1 LEU 94 21.012 34.003 33.988 1.00 0.00 ATOM 787 CD2 LEU 94 20.399 36.207 35.401 1.00 0.00 ATOM 788 O LEU 94 17.843 33.960 34.035 1.00 0.00 ATOM 789 C LEU 94 17.879 34.978 33.342 1.00 0.00 ATOM 790 N ALA 95 17.014 35.998 33.489 1.00 0.00 ATOM 791 CA ALA 95 15.977 35.970 34.510 1.00 0.00 ATOM 792 CB ALA 95 15.182 37.242 34.322 1.00 0.00 ATOM 793 O ALA 95 14.868 34.005 35.404 1.00 0.00 ATOM 794 C ALA 95 15.062 34.743 34.435 1.00 0.00 ATOM 795 N GLU 96 14.562 34.465 33.232 1.00 0.00 ATOM 796 CA GLU 96 13.623 33.337 33.037 1.00 0.00 ATOM 797 CB GLU 96 12.821 33.510 31.755 1.00 0.00 ATOM 798 CG GLU 96 11.921 34.746 31.815 1.00 0.00 ATOM 799 CD GLU 96 11.108 34.940 30.528 1.00 0.00 ATOM 800 OE1 GLU 96 11.336 34.200 29.552 1.00 0.00 ATOM 801 OE2 GLU 96 10.215 35.802 30.561 1.00 0.00 ATOM 802 O GLU 96 13.770 30.959 33.436 1.00 0.00 ATOM 803 C GLU 96 14.347 32.008 33.087 1.00 0.00 ATOM 804 N LEU 97 15.606 31.938 32.625 1.00 0.00 ATOM 805 CA LEU 97 16.394 30.708 32.628 1.00 0.00 ATOM 806 CB LEU 97 17.799 30.972 32.064 1.00 0.00 ATOM 807 CG LEU 97 18.752 29.771 31.963 1.00 0.00 ATOM 808 CD1 LEU 97 18.076 28.617 31.233 1.00 0.00 ATOM 809 CD2 LEU 97 20.017 30.185 31.231 1.00 0.00 ATOM 810 O LEU 97 16.467 28.977 34.298 1.00 0.00 ATOM 811 C LEU 97 16.466 30.193 34.067 1.00 0.00 ATOM 812 N GLU 98 16.532 31.116 35.051 1.00 0.00 ATOM 813 CA GLU 98 16.613 30.747 36.454 1.00 0.00 ATOM 814 CB GLU 98 16.756 31.992 37.314 1.00 0.00 ATOM 815 CG GLU 98 18.124 32.600 37.177 1.00 0.00 ATOM 816 CD GLU 98 18.255 33.930 37.856 1.00 0.00 ATOM 817 OE1 GLU 98 17.239 34.587 38.204 1.00 0.00 ATOM 818 OE2 GLU 98 19.422 34.434 37.994 1.00 0.00 ATOM 819 O GLU 98 15.477 28.999 37.658 1.00 0.00 ATOM 820 C GLU 98 15.363 30.019 36.982 1.00 0.00 ATOM 821 N LYS 99 14.127 30.471 36.624 1.00 0.00 ATOM 822 CA LYS 99 12.925 29.789 37.003 1.00 0.00 ATOM 823 CB LYS 99 11.736 30.534 36.358 1.00 0.00 ATOM 824 CG LYS 99 10.377 29.912 36.721 1.00 0.00 ATOM 825 CD LYS 99 9.220 30.634 36.051 1.00 0.00 ATOM 826 CE LYS 99 7.901 29.899 36.335 1.00 0.00 ATOM 827 NZ LYS 99 6.777 30.578 35.686 1.00 0.00 ATOM 828 O LYS 99 12.657 27.418 37.175 1.00 0.00 ATOM 829 C LYS 99 12.958 28.369 36.453 1.00 0.00 ATOM 830 N LEU 100 13.373 28.234 35.198 1.00 0.00 ATOM 831 CA LEU 100 13.428 26.910 34.590 1.00 0.00 ATOM 832 CB LEU 100 13.636 27.056 33.059 1.00 0.00 ATOM 833 CG LEU 100 12.546 27.803 32.288 1.00 0.00 ATOM 834 CD1 LEU 100 12.921 27.892 30.817 1.00 0.00 ATOM 835 CD2 LEU 100 11.217 27.082 32.457 1.00 0.00 ATOM 836 O LEU 100 14.352 24.827 35.331 1.00 0.00 ATOM 837 C LEU 100 14.542 26.022 35.168 1.00 0.00 ATOM 838 N ASP 101 15.719 26.588 35.286 1.00 0.00 ATOM 839 CA ASP 101 16.809 25.811 35.899 1.00 0.00 ATOM 840 CB ASP 101 17.982 26.810 35.975 1.00 0.00 ATOM 841 CG ASP 101 19.215 26.253 36.666 1.00 0.00 ATOM 842 OD1 ASP 101 19.474 25.046 36.492 1.00 0.00 ATOM 843 OD2 ASP 101 19.814 27.015 37.460 1.00 0.00 ATOM 844 O ASP 101 16.694 24.169 37.676 1.00 0.00 ATOM 845 C ASP 101 16.472 25.321 37.320 1.00 0.00 ATOM 846 N ALA 102 15.661 26.128 38.025 1.00 0.00 ATOM 847 CA ALA 102 15.109 25.767 39.339 1.00 0.00 ATOM 848 CB ALA 102 14.369 26.960 39.938 1.00 0.00 ATOM 849 O ALA 102 14.208 23.629 40.001 1.00 0.00 ATOM 850 C ALA 102 14.169 24.562 39.194 1.00 0.00 ATOM 851 N LEU 103 13.344 24.590 38.154 1.00 0.00 ATOM 852 CA LEU 103 12.407 23.495 37.895 1.00 0.00 ATOM 853 CB LEU 103 11.460 23.831 36.753 1.00 0.00 ATOM 854 CG LEU 103 10.405 24.859 37.165 1.00 0.00 ATOM 855 CD1 LEU 103 9.628 25.254 35.916 1.00 0.00 ATOM 856 CD2 LEU 103 9.445 24.286 38.222 1.00 0.00 ATOM 857 O LEU 103 12.835 21.139 38.014 1.00 0.00 ATOM 858 C LEU 103 13.172 22.226 37.549 1.00 0.00 ATOM 859 N PHE 104 14.269 22.358 36.747 1.00 0.00 ATOM 860 CA PHE 104 15.089 21.212 36.380 1.00 0.00 ATOM 861 CB PHE 104 16.285 21.615 35.551 1.00 0.00 ATOM 862 CG PHE 104 15.822 21.611 34.127 1.00 0.00 ATOM 863 CD1 PHE 104 15.345 20.442 33.564 1.00 0.00 ATOM 864 CD2 PHE 104 15.663 22.829 33.512 1.00 0.00 ATOM 865 CE1 PHE 104 14.700 20.518 32.353 1.00 0.00 ATOM 866 CE2 PHE 104 15.028 22.898 32.289 1.00 0.00 ATOM 867 CZ PHE 104 14.562 21.736 31.698 1.00 0.00 ATOM 868 O PHE 104 15.833 19.317 37.653 1.00 0.00 ATOM 869 C PHE 104 15.718 20.540 37.581 1.00 0.00 ATOM 870 N ALA 105 16.082 21.422 38.496 1.00 0.00 ATOM 871 CA ALA 105 16.580 20.991 39.806 1.00 0.00 ATOM 872 CB ALA 105 16.924 22.217 40.648 1.00 0.00 ATOM 873 O ALA 105 15.797 19.059 41.003 1.00 0.00 ATOM 874 C ALA 105 15.501 20.091 40.398 1.00 0.00 ATOM 875 N ASP 106 14.186 20.542 40.182 1.00 0.00 ATOM 876 CA ASP 106 13.051 19.781 40.686 1.00 0.00 ATOM 877 CB ASP 106 11.877 20.749 40.835 1.00 0.00 ATOM 878 CG ASP 106 12.105 21.858 41.875 1.00 0.00 ATOM 879 OD1 ASP 106 12.470 21.509 43.019 1.00 0.00 ATOM 880 OD2 ASP 106 11.942 23.032 41.486 1.00 0.00 ATOM 881 O ASP 106 11.593 18.478 39.219 1.00 0.00 ATOM 882 C ASP 106 12.696 18.611 39.734 1.00 0.00 ATOM 883 N ASP 107 13.548 17.586 39.804 1.00 0.00 ATOM 884 CA ASP 107 13.434 16.325 39.049 1.00 0.00 ATOM 885 CB ASP 107 14.504 15.318 39.483 1.00 0.00 ATOM 886 CG ASP 107 15.874 15.683 38.940 1.00 0.00 ATOM 887 OD1 ASP 107 16.017 16.577 38.105 1.00 0.00 ATOM 888 OD2 ASP 107 16.854 15.089 39.433 1.00 0.00 ATOM 889 O ASP 107 11.400 15.209 38.422 1.00 0.00 ATOM 890 C ASP 107 12.139 15.580 39.342 1.00 0.00 ATOM 891 N ALA 108 11.880 15.226 40.654 1.00 0.00 ATOM 892 CA ALA 108 10.693 14.491 41.021 1.00 0.00 ATOM 893 CB ALA 108 10.790 14.251 42.527 1.00 0.00 ATOM 894 O ALA 108 8.494 14.624 40.065 1.00 0.00 ATOM 895 C ALA 108 9.387 15.219 40.672 1.00 0.00 ATOM 896 N SER 109 9.403 16.545 40.821 1.00 0.00 ATOM 897 CA SER 109 8.248 17.409 40.505 1.00 0.00 ATOM 898 CB SER 109 8.518 18.842 40.933 1.00 0.00 ATOM 899 OG SER 109 8.588 18.748 42.341 1.00 0.00 ATOM 900 O SER 109 6.732 17.415 38.619 1.00 0.00 ATOM 901 C SER 109 7.903 17.440 39.018 1.00 0.00 ATOM 902 N LEU 110 8.955 17.465 38.211 1.00 0.00 ATOM 903 CA LEU 110 8.844 17.577 36.756 1.00 0.00 ATOM 904 CB LEU 110 10.222 17.866 36.201 1.00 0.00 ATOM 905 CG LEU 110 10.810 19.224 36.573 1.00 0.00 ATOM 906 CD1 LEU 110 12.245 19.255 36.079 1.00 0.00 ATOM 907 CD2 LEU 110 10.012 20.390 36.012 1.00 0.00 ATOM 908 O LEU 110 7.524 16.387 35.153 1.00 0.00 ATOM 909 C LEU 110 8.307 16.313 36.098 1.00 0.00 ATOM 910 N GLU 111 8.661 15.174 36.702 1.00 0.00 ATOM 911 CA GLU 111 8.141 13.861 36.299 1.00 0.00 ATOM 912 CB GLU 111 8.793 12.809 37.195 1.00 0.00 ATOM 913 CG GLU 111 8.299 11.402 36.843 1.00 0.00 ATOM 914 CD GLU 111 9.053 10.344 37.624 1.00 0.00 ATOM 915 OE1 GLU 111 9.008 10.391 38.880 1.00 0.00 ATOM 916 OE2 GLU 111 9.709 9.536 36.943 1.00 0.00 ATOM 917 O GLU 111 5.925 13.655 35.407 1.00 0.00 ATOM 918 C GLU 111 6.607 13.814 36.420 1.00 0.00 ATOM 919 N HIS 112 6.134 14.302 37.564 1.00 0.00 ATOM 920 CA HIS 112 4.683 14.411 37.861 1.00 0.00 ATOM 921 CB HIS 112 4.477 14.891 39.309 1.00 0.00 ATOM 922 CG HIS 112 4.760 13.862 40.361 1.00 0.00 ATOM 923 CD2 HIS 112 5.797 13.738 41.218 1.00 0.00 ATOM 924 ND1 HIS 112 3.910 12.807 40.625 1.00 0.00 ATOM 925 CE1 HIS 112 4.417 12.075 41.604 1.00 0.00 ATOM 926 NE2 HIS 112 5.564 12.616 41.981 1.00 0.00 ATOM 927 O HIS 112 2.929 15.167 36.379 1.00 0.00 ATOM 928 C HIS 112 3.988 15.424 36.937 1.00 0.00 ATOM 929 N HIS 113 4.636 16.576 36.737 1.00 0.00 ATOM 930 CA HIS 113 4.106 17.679 35.914 1.00 0.00 ATOM 931 CB HIS 113 4.876 18.966 36.181 1.00 0.00 ATOM 932 CG HIS 113 4.246 20.134 35.425 1.00 0.00 ATOM 933 CD2 HIS 113 4.721 20.726 34.343 1.00 0.00 ATOM 934 ND1 HIS 113 3.149 20.780 35.813 1.00 0.00 ATOM 935 CE1 HIS 113 2.939 21.767 34.957 1.00 0.00 ATOM 936 NE2 HIS 113 3.936 21.752 34.100 1.00 0.00 ATOM 937 O HIS 113 3.011 17.552 33.801 1.00 0.00 ATOM 938 C HIS 113 4.058 17.363 34.414 1.00 0.00 ATOM 939 N HIS 114 5.179 16.883 33.885 1.00 0.00 ATOM 940 CA HIS 114 5.322 16.537 32.457 1.00 0.00 ATOM 941 CB HIS 114 6.792 16.181 32.161 1.00 0.00 ATOM 942 CG HIS 114 7.053 16.105 30.655 1.00 0.00 ATOM 943 CD2 HIS 114 7.696 15.149 29.982 1.00 0.00 ATOM 944 ND1 HIS 114 6.660 16.996 29.761 1.00 0.00 ATOM 945 CE1 HIS 114 6.994 16.613 28.547 1.00 0.00 ATOM 946 NE2 HIS 114 7.666 15.469 28.695 1.00 0.00 ATOM 947 O HIS 114 4.071 15.141 30.881 1.00 0.00 ATOM 948 C HIS 114 4.379 15.386 32.041 1.00 0.00 ATOM 949 N HIS 115 4.066 14.536 32.987 1.00 0.00 ATOM 950 CA HIS 115 3.014 13.517 32.846 1.00 0.00 ATOM 951 CB HIS 115 2.841 12.728 34.158 1.00 0.00 ATOM 952 CG HIS 115 1.753 11.663 34.063 1.00 0.00 ATOM 953 CD2 HIS 115 0.537 11.700 34.605 1.00 0.00 ATOM 954 ND1 HIS 115 1.858 10.546 33.344 1.00 0.00 ATOM 955 CE1 HIS 115 0.680 9.951 33.401 1.00 0.00 ATOM 956 NE2 HIS 115 -0.119 10.614 34.205 1.00 0.00 ATOM 957 O HIS 115 1.030 13.813 31.480 1.00 0.00 ATOM 958 C HIS 115 1.681 14.187 32.449 1.00 0.00 ATOM 959 N HIS 116 1.340 15.221 33.191 1.00 0.00 ATOM 960 CA HIS 116 0.122 16.018 32.980 1.00 0.00 ATOM 961 CB HIS 116 -0.092 16.904 34.219 1.00 0.00 ATOM 962 CG HIS 116 -0.572 16.194 35.502 1.00 0.00 ATOM 963 CD2 HIS 116 -0.868 14.916 35.706 1.00 0.00 ATOM 964 ND1 HIS 116 -0.639 16.787 36.691 1.00 0.00 ATOM 965 CE1 HIS 116 -0.946 15.892 37.621 1.00 0.00 ATOM 966 NE2 HIS 116 -1.104 14.730 36.993 1.00 0.00 ATOM 967 O HIS 116 -0.720 16.779 30.885 1.00 0.00 ATOM 968 C HIS 116 0.208 16.814 31.687 1.00 0.00 ATOM 969 N HIS 117 1.273 17.521 31.466 1.00 0.00 ATOM 970 CA HIS 117 1.379 18.533 30.418 1.00 0.00 ATOM 971 CB HIS 117 1.258 19.972 30.928 1.00 0.00 ATOM 972 CG HIS 117 -0.117 20.248 31.553 1.00 0.00 ATOM 973 CD2 HIS 117 -0.398 20.286 32.851 1.00 0.00 ATOM 974 ND1 HIS 117 -1.248 20.520 30.894 1.00 0.00 ATOM 975 CE1 HIS 117 -2.227 20.656 31.779 1.00 0.00 ATOM 976 NE2 HIS 117 -1.696 20.533 32.988 1.00 0.00 ATOM 977 O HIS 117 3.511 17.477 30.216 1.00 0.00 ATOM 978 C HIS 117 2.735 18.309 29.723 1.00 0.00 TER END