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 2 Wed Jul 19 22:47:55 2006 MODEL 2 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 17.681 25.874 16.736 1.00 0.00 ATOM 2 CA MET 1 16.996 26.824 15.825 1.00 0.00 ATOM 3 CB MET 1 17.853 28.085 15.571 1.00 0.00 ATOM 4 CG MET 1 17.603 28.878 14.270 1.00 0.00 ATOM 5 SD MET 1 19.084 29.704 13.589 1.00 0.00 ATOM 6 CE MET 1 19.486 30.681 15.007 1.00 0.00 ATOM 7 O MET 1 17.284 25.254 14.061 1.00 0.00 ATOM 8 C MET 1 16.569 26.137 14.534 1.00 0.00 ATOM 9 N THR 2 15.425 26.547 14.005 1.00 0.00 ATOM 10 CA THR 2 14.908 25.989 12.749 1.00 0.00 ATOM 11 CB THR 2 13.378 25.903 12.713 1.00 0.00 ATOM 12 CG2 THR 2 12.819 24.762 13.538 1.00 0.00 ATOM 13 OG1 THR 2 12.826 27.211 12.913 1.00 0.00 ATOM 14 O THR 2 14.684 26.380 10.419 1.00 0.00 ATOM 15 C THR 2 15.240 26.730 11.448 1.00 0.00 ATOM 16 N THR 3 16.141 27.713 11.439 1.00 0.00 ATOM 17 CA THR 3 16.326 28.513 10.208 1.00 0.00 ATOM 18 CB THR 3 16.489 30.005 10.580 1.00 0.00 ATOM 19 CG2 THR 3 15.311 30.492 11.415 1.00 0.00 ATOM 20 OG1 THR 3 17.697 30.186 11.329 1.00 0.00 ATOM 21 O THR 3 17.440 28.211 8.152 1.00 0.00 ATOM 22 C THR 3 17.411 27.921 9.368 1.00 0.00 ATOM 23 N HIS 4 18.359 27.173 9.887 1.00 0.00 ATOM 24 CA HIS 4 19.516 26.658 9.116 1.00 0.00 ATOM 25 CB HIS 4 20.795 27.392 9.561 1.00 0.00 ATOM 26 CG HIS 4 20.798 28.889 9.191 1.00 0.00 ATOM 27 CD2 HIS 4 20.484 29.945 9.948 1.00 0.00 ATOM 28 ND1 HIS 4 21.153 29.347 8.007 1.00 0.00 ATOM 29 CE1 HIS 4 20.945 30.669 7.969 1.00 0.00 ATOM 30 NE2 HIS 4 20.570 31.035 9.195 1.00 0.00 ATOM 31 O HIS 4 19.375 24.667 10.433 1.00 0.00 ATOM 32 C HIS 4 19.667 25.151 9.346 1.00 0.00 ATOM 33 N ASP 5 20.335 24.520 8.390 1.00 0.00 ATOM 34 CA ASP 5 20.636 23.076 8.452 1.00 0.00 ATOM 35 CB ASP 5 21.155 22.527 7.123 1.00 0.00 ATOM 36 CG ASP 5 20.103 22.562 6.024 1.00 0.00 ATOM 37 OD1 ASP 5 18.902 22.573 6.348 1.00 0.00 ATOM 38 OD2 ASP 5 20.586 22.531 4.885 1.00 0.00 ATOM 39 O ASP 5 21.481 21.790 10.273 1.00 0.00 ATOM 40 C ASP 5 21.678 22.722 9.508 1.00 0.00 ATOM 41 N ARG 6 22.734 23.521 9.563 1.00 0.00 ATOM 42 CA ARG 6 23.810 23.331 10.565 1.00 0.00 ATOM 43 CB ARG 6 24.893 24.324 10.292 1.00 0.00 ATOM 44 CG ARG 6 26.113 24.112 11.108 1.00 0.00 ATOM 45 CD ARG 6 27.141 25.132 10.703 1.00 0.00 ATOM 46 NE ARG 6 28.324 25.031 11.533 1.00 0.00 ATOM 47 CZ ARG 6 29.324 24.185 11.302 1.00 0.00 ATOM 48 NH1 ARG 6 29.288 23.375 10.253 1.00 0.00 ATOM 49 NH2 ARG 6 30.372 24.153 12.116 1.00 0.00 ATOM 50 O ARG 6 23.491 22.694 12.865 1.00 0.00 ATOM 51 C ARG 6 23.214 23.497 11.965 1.00 0.00 ATOM 52 N VAL 7 22.280 24.420 12.060 1.00 0.00 ATOM 53 CA VAL 7 21.612 24.684 13.332 1.00 0.00 ATOM 54 CB VAL 7 20.831 25.989 13.180 1.00 0.00 ATOM 55 CG1 VAL 7 20.079 26.174 14.462 1.00 0.00 ATOM 56 CG2 VAL 7 21.729 27.208 13.100 1.00 0.00 ATOM 57 O VAL 7 20.626 23.129 14.887 1.00 0.00 ATOM 58 C VAL 7 20.698 23.514 13.718 1.00 0.00 ATOM 59 N ARG 8 19.763 23.214 12.814 1.00 0.00 ATOM 60 CA ARG 8 18.793 22.129 13.033 1.00 0.00 ATOM 61 CB ARG 8 17.984 21.868 11.769 1.00 0.00 ATOM 62 CG ARG 8 17.044 23.020 11.480 1.00 0.00 ATOM 63 CD ARG 8 16.328 22.684 10.178 1.00 0.00 ATOM 64 NE ARG 8 15.461 23.800 9.772 1.00 0.00 ATOM 65 CZ ARG 8 14.771 23.855 8.636 1.00 0.00 ATOM 66 NH1 ARG 8 14.024 24.874 8.295 1.00 0.00 ATOM 67 NH2 ARG 8 14.864 22.942 7.734 1.00 0.00 ATOM 68 O ARG 8 19.072 20.187 14.369 1.00 0.00 ATOM 69 C ARG 8 19.522 20.882 13.474 1.00 0.00 ATOM 70 N LEU 9 20.711 20.636 12.853 1.00 0.00 ATOM 71 CA LEU 9 21.555 19.522 13.238 1.00 0.00 ATOM 72 CB LEU 9 22.745 19.522 12.284 1.00 0.00 ATOM 73 CG LEU 9 23.737 18.415 12.601 1.00 0.00 ATOM 74 CD1 LEU 9 23.086 17.038 12.410 1.00 0.00 ATOM 75 CD2 LEU 9 24.968 18.565 11.729 1.00 0.00 ATOM 76 O LEU 9 22.038 18.689 15.433 1.00 0.00 ATOM 77 C LEU 9 22.040 19.654 14.681 1.00 0.00 ATOM 78 N GLN 10 22.430 20.870 15.069 1.00 0.00 ATOM 79 CA GLN 10 22.911 21.112 16.424 1.00 0.00 ATOM 80 CB GLN 10 23.493 22.508 16.484 1.00 0.00 ATOM 81 CG GLN 10 24.675 22.740 15.547 1.00 0.00 ATOM 82 CD GLN 10 25.189 24.171 15.636 1.00 0.00 ATOM 83 OE1 GLN 10 24.510 25.157 15.808 1.00 0.00 ATOM 84 NE2 GLN 10 26.467 24.355 15.466 1.00 0.00 ATOM 85 O GLN 10 22.056 20.274 18.509 1.00 0.00 ATOM 86 C GLN 10 21.819 20.896 17.472 1.00 0.00 ATOM 87 N LEU 11 20.593 21.336 17.162 1.00 0.00 ATOM 88 CA LEU 11 19.449 21.130 18.047 1.00 0.00 ATOM 89 CB LEU 11 18.194 21.818 17.491 1.00 0.00 ATOM 90 CG LEU 11 16.942 21.413 18.292 1.00 0.00 ATOM 91 CD1 LEU 11 17.004 21.770 19.776 1.00 0.00 ATOM 92 CD2 LEU 11 15.742 22.093 17.677 1.00 0.00 ATOM 93 O LEU 11 18.880 19.220 19.366 1.00 0.00 ATOM 94 C LEU 11 19.131 19.647 18.244 1.00 0.00 ATOM 95 N GLN 12 19.046 18.876 17.145 1.00 0.00 ATOM 96 CA GLN 12 18.695 17.461 17.230 1.00 0.00 ATOM 97 CB GLN 12 18.502 16.941 15.805 1.00 0.00 ATOM 98 CG GLN 12 18.074 15.463 15.719 1.00 0.00 ATOM 99 CD GLN 12 19.263 14.520 15.877 1.00 0.00 ATOM 100 OE1 GLN 12 20.429 14.833 15.672 1.00 0.00 ATOM 101 NE2 GLN 12 18.996 13.321 16.307 1.00 0.00 ATOM 102 O GLN 12 19.430 15.804 18.806 1.00 0.00 ATOM 103 C GLN 12 19.764 16.661 17.985 1.00 0.00 ATOM 104 N ALA 13 21.028 17.025 17.776 1.00 0.00 ATOM 105 CA ALA 13 22.126 16.323 18.478 1.00 0.00 ATOM 106 CB ALA 13 23.460 16.763 17.887 1.00 0.00 ATOM 107 O ALA 13 22.024 15.643 20.767 1.00 0.00 ATOM 108 C ALA 13 22.025 16.583 19.974 1.00 0.00 ATOM 109 N LEU 14 21.813 17.837 20.346 1.00 0.00 ATOM 110 CA LEU 14 21.698 18.182 21.759 1.00 0.00 ATOM 111 CB LEU 14 21.681 19.685 21.923 1.00 0.00 ATOM 112 CG LEU 14 21.501 20.099 23.368 1.00 0.00 ATOM 113 CD1 LEU 14 22.632 19.677 24.288 1.00 0.00 ATOM 114 CD2 LEU 14 21.589 21.572 23.383 1.00 0.00 ATOM 115 O LEU 14 20.506 17.057 23.508 1.00 0.00 ATOM 116 C LEU 14 20.454 17.569 22.388 1.00 0.00 ATOM 117 N GLU 15 19.330 17.647 21.679 1.00 0.00 ATOM 118 CA GLU 15 18.069 17.097 22.171 1.00 0.00 ATOM 119 CB GLU 15 16.983 17.402 21.128 1.00 0.00 ATOM 120 CG GLU 15 15.642 16.880 21.615 1.00 0.00 ATOM 121 CD GLU 15 14.433 17.329 20.812 1.00 0.00 ATOM 122 OE1 GLU 15 14.565 17.585 19.596 1.00 0.00 ATOM 123 OE2 GLU 15 13.386 17.373 21.469 1.00 0.00 ATOM 124 O GLU 15 17.699 15.088 23.434 1.00 0.00 ATOM 125 C GLU 15 18.197 15.598 22.430 1.00 0.00 ATOM 126 N ALA 16 18.861 14.878 21.520 1.00 0.00 ATOM 127 CA ALA 16 19.046 13.438 21.663 1.00 0.00 ATOM 128 CB ALA 16 19.518 12.850 20.341 1.00 0.00 ATOM 129 O ALA 16 19.664 12.214 23.636 1.00 0.00 ATOM 130 C ALA 16 19.949 13.124 22.856 1.00 0.00 ATOM 131 N LEU 17 21.074 13.851 22.988 1.00 0.00 ATOM 132 CA LEU 17 22.010 13.644 24.088 1.00 0.00 ATOM 133 CB LEU 17 23.181 14.620 24.010 1.00 0.00 ATOM 134 CG LEU 17 24.184 14.545 25.168 1.00 0.00 ATOM 135 CD1 LEU 17 24.812 13.160 25.205 1.00 0.00 ATOM 136 CD2 LEU 17 25.259 15.614 25.006 1.00 0.00 ATOM 137 O LEU 17 21.528 13.006 26.382 1.00 0.00 ATOM 138 C LEU 17 21.348 13.800 25.456 1.00 0.00 ATOM 139 N LEU 18 20.538 14.847 25.535 1.00 0.00 ATOM 140 CA LEU 18 19.843 15.221 26.783 1.00 0.00 ATOM 141 CB LEU 18 19.176 16.589 26.691 1.00 0.00 ATOM 142 CG LEU 18 20.111 17.535 25.937 1.00 0.00 ATOM 143 CD1 LEU 18 19.505 18.876 25.684 1.00 0.00 ATOM 144 CD2 LEU 18 21.512 17.649 26.503 1.00 0.00 ATOM 145 O LEU 18 18.660 13.761 28.264 1.00 0.00 ATOM 146 C LEU 18 18.794 14.167 27.111 1.00 0.00 ATOM 147 N ARG 19 18.090 13.714 26.099 1.00 0.00 ATOM 148 CA ARG 19 17.071 12.681 26.292 1.00 0.00 ATOM 149 CB ARG 19 16.505 12.191 24.979 1.00 0.00 ATOM 150 CG ARG 19 15.364 13.053 24.552 1.00 0.00 ATOM 151 CD ARG 19 14.691 12.223 23.475 1.00 0.00 ATOM 152 NE ARG 19 13.816 13.119 22.707 1.00 0.00 ATOM 153 CZ ARG 19 14.259 13.828 21.677 1.00 0.00 ATOM 154 NH1 ARG 19 15.529 13.727 21.339 1.00 0.00 ATOM 155 NH2 ARG 19 13.427 14.524 20.929 1.00 0.00 ATOM 156 O ARG 19 17.188 10.701 27.649 1.00 0.00 ATOM 157 C ARG 19 17.715 11.381 26.770 1.00 0.00 ATOM 158 N GLU 20 18.854 11.057 26.196 1.00 0.00 ATOM 159 CA GLU 20 19.588 9.848 26.557 1.00 0.00 ATOM 160 CB GLU 20 20.829 9.765 25.665 1.00 0.00 ATOM 161 CG GLU 20 21.413 8.348 25.658 1.00 0.00 ATOM 162 CD GLU 20 20.549 7.378 24.839 1.00 0.00 ATOM 163 OE1 GLU 20 20.292 7.702 23.656 1.00 0.00 ATOM 164 OE2 GLU 20 20.086 6.361 25.394 1.00 0.00 ATOM 165 O GLU 20 19.576 9.111 28.870 1.00 0.00 ATOM 166 C GLU 20 19.962 9.923 28.035 1.00 0.00 ATOM 167 N HIS 21 20.574 11.043 28.385 1.00 0.00 ATOM 168 CA HIS 21 20.965 11.220 29.774 1.00 0.00 ATOM 169 CB HIS 21 22.097 12.215 29.954 1.00 0.00 ATOM 170 CG HIS 21 23.457 11.571 29.727 1.00 0.00 ATOM 171 CD2 HIS 21 24.071 11.401 28.563 1.00 0.00 ATOM 172 ND1 HIS 21 24.156 10.947 30.669 1.00 0.00 ATOM 173 CE1 HIS 21 25.167 10.320 30.082 1.00 0.00 ATOM 174 NE2 HIS 21 25.138 10.632 28.789 1.00 0.00 ATOM 175 O HIS 21 20.199 11.639 31.999 1.00 0.00 ATOM 176 C HIS 21 19.913 11.595 30.823 1.00 0.00 ATOM 177 N GLN 22 18.582 11.798 30.335 1.00 0.00 ATOM 178 CA GLN 22 17.430 12.110 31.185 1.00 0.00 ATOM 179 CB GLN 22 17.085 10.959 32.107 1.00 0.00 ATOM 180 CG GLN 22 16.817 9.649 31.388 1.00 0.00 ATOM 181 CD GLN 22 16.481 8.512 32.341 1.00 0.00 ATOM 182 OE1 GLN 22 16.534 7.339 31.967 1.00 0.00 ATOM 183 NE2 GLN 22 16.129 8.853 33.575 1.00 0.00 ATOM 184 O GLN 22 16.892 14.165 32.239 1.00 0.00 ATOM 185 C GLN 22 17.739 13.285 32.105 1.00 0.00 ATOM 186 N HIS 23 18.953 13.339 32.642 1.00 0.00 ATOM 187 CA HIS 23 19.393 14.446 33.463 1.00 0.00 ATOM 188 CB HIS 23 20.750 13.883 33.965 1.00 0.00 ATOM 189 CG HIS 23 20.722 12.584 34.794 1.00 0.00 ATOM 190 CD2 HIS 23 19.873 12.243 35.765 1.00 0.00 ATOM 191 ND1 HIS 23 21.616 11.613 34.678 1.00 0.00 ATOM 192 CE1 HIS 23 21.279 10.666 35.554 1.00 0.00 ATOM 193 NE2 HIS 23 20.220 11.055 36.243 1.00 0.00 ATOM 194 O HIS 23 19.685 16.811 33.535 1.00 0.00 ATOM 195 C HIS 23 19.609 15.825 32.814 1.00 0.00 ATOM 196 N TRP 24 19.845 15.901 31.503 1.00 0.00 ATOM 197 CA TRP 24 20.142 17.195 30.850 1.00 0.00 ATOM 198 CB TRP 24 21.090 16.961 29.695 1.00 0.00 ATOM 199 CG TRP 24 22.469 16.511 30.085 1.00 0.00 ATOM 200 CD1 TRP 24 22.930 15.295 29.869 1.00 0.00 ATOM 201 CD2 TRP 24 23.496 17.268 30.586 1.00 0.00 ATOM 202 CE2 TRP 24 24.578 16.410 30.680 1.00 0.00 ATOM 203 CE3 TRP 24 23.604 18.621 30.874 1.00 0.00 ATOM 204 NE1 TRP 24 24.200 15.214 30.234 1.00 0.00 ATOM 205 CZ2 TRP 24 25.795 16.875 31.153 1.00 0.00 ATOM 206 CZ3 TRP 24 24.826 19.060 31.329 1.00 0.00 ATOM 207 CH2 TRP 24 25.885 18.208 31.501 1.00 0.00 ATOM 208 O TRP 24 17.893 17.974 30.981 1.00 0.00 ATOM 209 C TRP 24 18.959 18.055 30.412 1.00 0.00 ATOM 210 N ARG 25 19.220 18.820 29.260 1.00 0.00 ATOM 211 CA ARG 25 18.207 19.698 28.706 1.00 0.00 ATOM 212 CB ARG 25 18.729 20.871 27.824 1.00 0.00 ATOM 213 CG ARG 25 20.067 21.522 28.227 1.00 0.00 ATOM 214 CD ARG 25 20.757 22.391 27.155 1.00 0.00 ATOM 215 NE ARG 25 19.965 23.565 26.732 1.00 0.00 ATOM 216 CZ ARG 25 19.719 24.662 27.445 1.00 0.00 ATOM 217 NH1 ARG 25 20.179 24.867 28.670 1.00 0.00 ATOM 218 NH2 ARG 25 18.919 25.586 26.967 1.00 0.00 ATOM 219 O ARG 25 16.801 18.840 26.925 1.00 0.00 ATOM 220 C ARG 25 16.980 18.927 28.132 1.00 0.00 ATOM 221 N ASN 26 16.141 18.428 29.045 1.00 0.00 ATOM 222 CA ASN 26 14.915 17.634 28.753 1.00 0.00 ATOM 223 CB ASN 26 14.802 16.331 29.574 1.00 0.00 ATOM 224 CG ASN 26 13.498 15.576 29.269 1.00 0.00 ATOM 225 ND2 ASN 26 12.531 15.705 30.156 1.00 0.00 ATOM 226 OD1 ASN 26 13.299 15.008 28.197 1.00 0.00 ATOM 227 O ASN 26 12.705 18.120 27.990 1.00 0.00 ATOM 228 C ASN 26 13.549 18.352 28.841 1.00 0.00 ATOM 229 N ASP 27 13.229 18.926 29.995 1.00 0.00 ATOM 230 CA ASP 27 11.864 19.448 30.206 1.00 0.00 ATOM 231 CB ASP 27 11.658 19.914 31.657 1.00 0.00 ATOM 232 CG ASP 27 11.609 18.837 32.714 1.00 0.00 ATOM 233 OD1 ASP 27 11.620 17.634 32.357 1.00 0.00 ATOM 234 OD2 ASP 27 11.559 19.199 33.914 1.00 0.00 ATOM 235 O ASP 27 12.146 21.470 28.973 1.00 0.00 ATOM 236 C ASP 27 11.387 20.561 29.283 1.00 0.00 ATOM 237 N GLU 28 10.067 20.486 28.790 1.00 0.00 ATOM 238 CA GLU 28 9.518 21.460 27.850 1.00 0.00 ATOM 239 CB GLU 28 8.015 21.248 27.781 1.00 0.00 ATOM 240 CG GLU 28 7.568 19.945 27.123 1.00 0.00 ATOM 241 CD GLU 28 6.043 19.819 27.150 1.00 0.00 ATOM 242 OE1 GLU 28 5.336 20.730 27.655 1.00 0.00 ATOM 243 OE2 GLU 28 5.568 18.843 26.543 1.00 0.00 ATOM 244 O GLU 28 9.937 23.696 27.097 1.00 0.00 ATOM 245 C GLU 28 9.702 22.967 28.061 1.00 0.00 ATOM 246 N PRO 29 9.604 23.458 29.301 1.00 0.00 ATOM 247 CA PRO 29 9.844 24.872 29.572 1.00 0.00 ATOM 248 CB PRO 29 9.620 25.015 31.077 1.00 0.00 ATOM 249 CG PRO 29 8.599 23.956 31.341 1.00 0.00 ATOM 250 CD PRO 29 9.223 22.812 30.556 1.00 0.00 ATOM 251 O PRO 29 11.351 26.365 28.480 1.00 0.00 ATOM 252 C PRO 29 11.219 25.260 29.014 1.00 0.00 ATOM 253 N GLN 30 12.212 24.346 29.146 1.00 0.00 ATOM 254 CA GLN 30 13.569 24.736 28.756 1.00 0.00 ATOM 255 CB GLN 30 14.536 23.640 29.192 1.00 0.00 ATOM 256 CG GLN 30 15.975 24.045 28.895 1.00 0.00 ATOM 257 CD GLN 30 16.442 25.305 29.637 1.00 0.00 ATOM 258 OE1 GLN 30 17.376 25.943 29.206 1.00 0.00 ATOM 259 NE2 GLN 30 15.986 25.555 30.853 1.00 0.00 ATOM 260 O GLN 30 14.301 25.833 26.771 1.00 0.00 ATOM 261 C GLN 30 13.638 24.896 27.230 1.00 0.00 ATOM 262 N PRO 31 12.981 24.017 26.444 1.00 0.00 ATOM 263 CA PRO 31 12.826 24.157 24.992 1.00 0.00 ATOM 264 CB PRO 31 11.785 23.134 24.565 1.00 0.00 ATOM 265 CG PRO 31 11.983 22.014 25.561 1.00 0.00 ATOM 266 CD PRO 31 12.587 22.649 26.801 1.00 0.00 ATOM 267 O PRO 31 12.786 26.011 23.537 1.00 0.00 ATOM 268 C PRO 31 12.302 25.496 24.541 1.00 0.00 ATOM 269 N HIS 32 11.254 26.066 25.273 1.00 0.00 ATOM 270 CA HIS 32 10.712 27.397 24.964 1.00 0.00 ATOM 271 CB HIS 32 9.635 27.774 25.974 1.00 0.00 ATOM 272 CG HIS 32 8.294 27.126 25.642 1.00 0.00 ATOM 273 CD2 HIS 32 7.391 26.748 26.520 1.00 0.00 ATOM 274 ND1 HIS 32 7.776 26.906 24.435 1.00 0.00 ATOM 275 CE1 HIS 32 6.567 26.384 24.572 1.00 0.00 ATOM 276 NE2 HIS 32 6.331 26.274 25.877 1.00 0.00 ATOM 277 O HIS 32 11.970 29.243 24.092 1.00 0.00 ATOM 278 C HIS 32 11.840 28.422 24.995 1.00 0.00 ATOM 279 N GLN 33 12.648 28.385 26.031 1.00 0.00 ATOM 280 CA GLN 33 13.757 29.325 26.167 1.00 0.00 ATOM 281 CB GLN 33 14.415 29.247 27.522 1.00 0.00 ATOM 282 CG GLN 33 13.545 29.741 28.676 1.00 0.00 ATOM 283 CD GLN 33 13.023 31.159 28.485 1.00 0.00 ATOM 284 OE1 GLN 33 11.851 31.442 28.522 1.00 0.00 ATOM 285 NE2 GLN 33 13.854 32.109 28.158 1.00 0.00 ATOM 286 O GLN 33 15.265 30.075 24.455 1.00 0.00 ATOM 287 C GLN 33 14.789 29.108 25.042 1.00 0.00 ATOM 288 N PHE 34 15.126 27.855 24.769 1.00 0.00 ATOM 289 CA PHE 34 16.134 27.571 23.741 1.00 0.00 ATOM 290 CB PHE 34 16.372 26.062 23.694 1.00 0.00 ATOM 291 CG PHE 34 17.143 25.605 22.449 1.00 0.00 ATOM 292 CD1 PHE 34 18.515 25.676 22.385 1.00 0.00 ATOM 293 CD2 PHE 34 16.460 25.190 21.317 1.00 0.00 ATOM 294 CE1 PHE 34 19.189 25.300 21.223 1.00 0.00 ATOM 295 CE2 PHE 34 17.139 24.858 20.152 1.00 0.00 ATOM 296 CZ PHE 34 18.521 24.891 20.105 1.00 0.00 ATOM 297 O PHE 34 16.506 28.626 21.616 1.00 0.00 ATOM 298 C PHE 34 15.699 28.086 22.367 1.00 0.00 ATOM 299 N ASN 35 14.437 27.816 22.025 1.00 0.00 ATOM 300 CA ASN 35 13.887 28.208 20.722 1.00 0.00 ATOM 301 CB ASN 35 12.504 27.616 20.508 1.00 0.00 ATOM 302 CG ASN 35 12.547 26.090 20.464 1.00 0.00 ATOM 303 ND2 ASN 35 11.400 25.502 20.622 1.00 0.00 ATOM 304 OD1 ASN 35 13.556 25.432 20.278 1.00 0.00 ATOM 305 O ASN 35 14.264 30.249 19.525 1.00 0.00 ATOM 306 C ASN 35 13.894 29.727 20.586 1.00 0.00 ATOM 307 N SER 36 13.501 30.448 21.651 1.00 0.00 ATOM 308 CA SER 36 13.544 31.924 21.544 1.00 0.00 ATOM 309 CB SER 36 12.694 32.446 22.698 1.00 0.00 ATOM 310 OG SER 36 13.319 32.188 23.944 1.00 0.00 ATOM 311 O SER 36 15.146 33.685 21.467 1.00 0.00 ATOM 312 C SER 36 14.951 32.472 21.675 1.00 0.00 ATOM 313 N THR 37 15.919 31.600 21.951 1.00 0.00 ATOM 314 CA THR 37 17.312 32.006 22.032 1.00 0.00 ATOM 315 CB THR 37 17.990 31.121 23.171 1.00 0.00 ATOM 316 CG2 THR 37 19.447 31.513 23.448 1.00 0.00 ATOM 317 OG1 THR 37 17.305 31.336 24.413 1.00 0.00 ATOM 318 O THR 37 19.057 32.790 20.587 1.00 0.00 ATOM 319 C THR 37 18.238 31.909 20.822 1.00 0.00 ATOM 320 N GLN 38 18.133 30.767 20.021 1.00 0.00 ATOM 321 CA GLN 38 18.990 30.600 18.856 1.00 0.00 ATOM 322 CB GLN 38 19.459 29.329 18.161 1.00 0.00 ATOM 323 CG GLN 38 20.500 28.514 18.933 1.00 0.00 ATOM 324 CD GLN 38 20.849 27.240 18.159 1.00 0.00 ATOM 325 OE1 GLN 38 20.394 26.966 17.055 1.00 0.00 ATOM 326 NE2 GLN 38 21.547 26.352 18.817 1.00 0.00 ATOM 327 O GLN 38 19.478 32.341 17.317 1.00 0.00 ATOM 328 C GLN 38 18.586 31.651 17.809 1.00 0.00 ATOM 329 N PRO 39 17.303 31.794 17.479 1.00 0.00 ATOM 330 CA PRO 39 16.863 32.888 16.593 1.00 0.00 ATOM 331 CB PRO 39 15.374 32.645 16.359 1.00 0.00 ATOM 332 CG PRO 39 15.195 31.143 16.531 1.00 0.00 ATOM 333 CD PRO 39 16.228 30.794 17.598 1.00 0.00 ATOM 334 O PRO 39 17.566 35.122 16.292 1.00 0.00 ATOM 335 C PRO 39 17.207 34.291 17.119 1.00 0.00 ATOM 336 N PHE 40 17.314 34.519 18.499 1.00 0.00 ATOM 337 CA PHE 40 17.733 35.831 19.054 1.00 0.00 ATOM 338 CB PHE 40 17.537 35.849 20.571 1.00 0.00 ATOM 339 CG PHE 40 17.630 37.266 21.136 1.00 0.00 ATOM 340 CD1 PHE 40 16.570 38.147 20.954 1.00 0.00 ATOM 341 CD2 PHE 40 18.723 37.659 21.887 1.00 0.00 ATOM 342 CE1 PHE 40 16.598 39.423 21.513 1.00 0.00 ATOM 343 CE2 PHE 40 18.742 38.931 22.405 1.00 0.00 ATOM 344 CZ PHE 40 17.695 39.828 22.238 1.00 0.00 ATOM 345 O PHE 40 19.551 37.078 18.061 1.00 0.00 ATOM 346 C PHE 40 19.203 36.052 18.648 1.00 0.00 ATOM 347 N PHE 41 20.062 35.089 18.955 1.00 0.00 ATOM 348 CA PHE 41 21.475 35.225 18.626 1.00 0.00 ATOM 349 CB PHE 41 22.328 34.194 19.279 1.00 0.00 ATOM 350 CG PHE 41 22.588 34.509 20.738 1.00 0.00 ATOM 351 CD1 PHE 41 23.303 35.642 21.086 1.00 0.00 ATOM 352 CD2 PHE 41 22.125 33.657 21.750 1.00 0.00 ATOM 353 CE1 PHE 41 23.569 35.950 22.380 1.00 0.00 ATOM 354 CE2 PHE 41 22.381 33.962 23.077 1.00 0.00 ATOM 355 CZ PHE 41 23.101 35.096 23.399 1.00 0.00 ATOM 356 O PHE 41 22.685 35.778 16.649 1.00 0.00 ATOM 357 C PHE 41 21.706 35.220 17.122 1.00 0.00 ATOM 358 N MET 42 20.829 34.521 16.396 1.00 0.00 ATOM 359 CA MET 42 20.852 34.451 14.922 1.00 0.00 ATOM 360 CB MET 42 19.658 33.693 14.366 1.00 0.00 ATOM 361 CG MET 42 19.699 33.529 12.854 1.00 0.00 ATOM 362 SD MET 42 18.185 32.731 12.218 1.00 0.00 ATOM 363 CE MET 42 16.987 33.986 12.612 1.00 0.00 ATOM 364 O MET 42 21.596 36.244 13.516 1.00 0.00 ATOM 365 C MET 42 20.774 35.856 14.360 1.00 0.00 ATOM 366 N ASP 43 19.813 36.590 14.768 1.00 0.00 ATOM 367 CA ASP 43 19.721 37.993 14.330 1.00 0.00 ATOM 368 CB ASP 43 18.487 38.661 14.948 1.00 0.00 ATOM 369 CG ASP 43 17.158 38.226 14.314 1.00 0.00 ATOM 370 OD1 ASP 43 17.183 37.553 13.261 1.00 0.00 ATOM 371 OD2 ASP 43 16.110 38.595 14.881 1.00 0.00 ATOM 372 O ASP 43 21.558 39.495 14.021 1.00 0.00 ATOM 373 C ASP 43 21.013 38.676 14.753 1.00 0.00 ATOM 374 N THR 44 21.564 38.252 15.932 1.00 0.00 ATOM 375 CA THR 44 22.785 38.851 16.444 1.00 0.00 ATOM 376 CB THR 44 23.080 38.345 17.856 1.00 0.00 ATOM 377 CG2 THR 44 24.382 38.919 18.379 1.00 0.00 ATOM 378 OG1 THR 44 22.080 38.830 18.739 1.00 0.00 ATOM 379 O THR 44 24.524 39.494 15.030 1.00 0.00 ATOM 380 C THR 44 24.041 38.532 15.600 1.00 0.00 ATOM 381 N MET 45 24.396 37.134 15.910 1.00 0.00 ATOM 382 CA MET 45 25.680 36.580 15.312 1.00 0.00 ATOM 383 CB MET 45 26.797 37.672 15.412 1.00 0.00 ATOM 384 CG MET 45 27.305 37.801 16.839 1.00 0.00 ATOM 385 SD MET 45 28.171 39.389 17.077 1.00 0.00 ATOM 386 CE MET 45 26.780 40.297 17.774 1.00 0.00 ATOM 387 O MET 45 25.947 35.057 17.074 1.00 0.00 ATOM 388 C MET 45 26.190 35.197 15.881 1.00 0.00 ATOM 389 N GLU 46 27.102 34.238 15.161 1.00 0.00 ATOM 390 CA GLU 46 27.986 33.118 15.663 1.00 0.00 ATOM 391 CB GLU 46 28.796 33.695 16.874 1.00 0.00 ATOM 392 CG GLU 46 29.343 35.155 16.880 1.00 0.00 ATOM 393 CD GLU 46 30.764 35.558 16.411 1.00 0.00 ATOM 394 OE1 GLU 46 31.358 34.820 15.604 1.00 0.00 ATOM 395 OE2 GLU 46 31.194 36.679 16.765 1.00 0.00 ATOM 396 O GLU 46 26.980 31.276 16.919 1.00 0.00 ATOM 397 C GLU 46 27.403 31.625 15.813 1.00 0.00 ATOM 398 N PRO 47 27.430 30.603 14.882 1.00 0.00 ATOM 399 CA PRO 47 26.738 29.280 15.044 1.00 0.00 ATOM 400 CB PRO 47 26.832 28.515 13.724 1.00 0.00 ATOM 401 CG PRO 47 26.820 29.640 12.709 1.00 0.00 ATOM 402 CD PRO 47 27.617 30.765 13.392 1.00 0.00 ATOM 403 O PRO 47 26.653 27.712 16.884 1.00 0.00 ATOM 404 C PRO 47 27.365 28.378 16.124 1.00 0.00 ATOM 405 N LEU 48 28.683 28.190 16.037 1.00 0.00 ATOM 406 CA LEU 48 29.471 27.459 17.058 1.00 0.00 ATOM 407 CB LEU 48 30.975 27.579 16.781 1.00 0.00 ATOM 408 CG LEU 48 31.871 26.792 17.749 1.00 0.00 ATOM 409 CD1 LEU 48 31.567 25.292 17.793 1.00 0.00 ATOM 410 CD2 LEU 48 33.326 26.987 17.350 1.00 0.00 ATOM 411 O LEU 48 29.050 27.263 19.416 1.00 0.00 ATOM 412 C LEU 48 29.242 28.022 18.468 1.00 0.00 ATOM 413 N GLU 49 29.231 29.348 18.591 1.00 0.00 ATOM 414 CA GLU 49 28.992 29.970 19.887 1.00 0.00 ATOM 415 CB GLU 49 29.054 31.415 19.861 1.00 0.00 ATOM 416 CG GLU 49 30.449 31.896 19.431 1.00 0.00 ATOM 417 CD GLU 49 31.591 31.250 20.220 1.00 0.00 ATOM 418 OE1 GLU 49 32.718 31.184 19.686 1.00 0.00 ATOM 419 OE2 GLU 49 31.374 30.817 21.371 1.00 0.00 ATOM 420 O GLU 49 27.375 29.387 21.564 1.00 0.00 ATOM 421 C GLU 49 27.585 29.655 20.381 1.00 0.00 ATOM 422 N TRP 50 26.618 29.667 19.462 1.00 0.00 ATOM 423 CA TRP 50 25.231 29.367 19.819 1.00 0.00 ATOM 424 CB TRP 50 24.272 29.391 18.637 1.00 0.00 ATOM 425 CG TRP 50 24.139 30.663 17.838 1.00 0.00 ATOM 426 CD1 TRP 50 24.400 31.862 18.311 1.00 0.00 ATOM 427 CD2 TRP 50 23.690 30.763 16.531 1.00 0.00 ATOM 428 CE2 TRP 50 23.716 32.126 16.269 1.00 0.00 ATOM 429 CE3 TRP 50 23.273 29.872 15.547 1.00 0.00 ATOM 430 NE1 TRP 50 24.124 32.756 17.373 1.00 0.00 ATOM 431 CZ2 TRP 50 23.347 32.584 15.022 1.00 0.00 ATOM 432 CZ3 TRP 50 22.875 30.337 14.305 1.00 0.00 ATOM 433 CH2 TRP 50 22.912 31.705 14.047 1.00 0.00 ATOM 434 O TRP 50 24.480 27.652 21.335 1.00 0.00 ATOM 435 C TRP 50 25.125 27.926 20.317 1.00 0.00 ATOM 436 N LEU 51 25.755 27.007 19.595 1.00 0.00 ATOM 437 CA LEU 51 25.727 25.601 19.973 1.00 0.00 ATOM 438 CB LEU 51 26.470 24.787 18.900 1.00 0.00 ATOM 439 CG LEU 51 26.508 23.299 19.249 1.00 0.00 ATOM 440 CD1 LEU 51 25.098 22.728 19.429 1.00 0.00 ATOM 441 CD2 LEU 51 27.351 22.484 18.267 1.00 0.00 ATOM 442 O LEU 51 25.865 24.551 22.130 1.00 0.00 ATOM 443 C LEU 51 26.369 25.339 21.334 1.00 0.00 ATOM 444 N GLN 52 27.508 25.992 21.610 1.00 0.00 ATOM 445 CA GLN 52 28.199 25.826 22.882 1.00 0.00 ATOM 446 CB GLN 52 29.524 26.578 22.888 1.00 0.00 ATOM 447 CG GLN 52 30.563 25.901 22.038 1.00 0.00 ATOM 448 CD GLN 52 31.913 26.581 22.184 1.00 0.00 ATOM 449 OE1 GLN 52 32.370 26.971 23.253 1.00 0.00 ATOM 450 NE2 GLN 52 32.569 26.758 21.037 1.00 0.00 ATOM 451 O GLN 52 27.207 25.725 25.069 1.00 0.00 ATOM 452 C GLN 52 27.318 26.350 24.018 1.00 0.00 ATOM 453 N TRP 53 26.696 27.499 23.787 1.00 0.00 ATOM 454 CA TRP 53 25.823 28.099 24.795 1.00 0.00 ATOM 455 CB TRP 53 25.298 29.462 24.342 1.00 0.00 ATOM 456 CG TRP 53 24.462 30.148 25.424 1.00 0.00 ATOM 457 CD1 TRP 53 24.913 30.965 26.375 1.00 0.00 ATOM 458 CD2 TRP 53 23.105 30.037 25.635 1.00 0.00 ATOM 459 CE2 TRP 53 22.826 30.779 26.762 1.00 0.00 ATOM 460 CE3 TRP 53 22.084 29.381 24.964 1.00 0.00 ATOM 461 NE1 TRP 53 23.945 31.331 27.206 1.00 0.00 ATOM 462 CZ2 TRP 53 21.559 30.862 27.247 1.00 0.00 ATOM 463 CZ3 TRP 53 20.800 29.473 25.460 1.00 0.00 ATOM 464 CH2 TRP 53 20.537 30.208 26.601 1.00 0.00 ATOM 465 O TRP 53 24.045 27.296 26.143 1.00 0.00 ATOM 466 C TRP 53 24.636 27.188 25.100 1.00 0.00 ATOM 467 N VAL 54 24.129 26.451 24.136 1.00 0.00 ATOM 468 CA VAL 54 23.023 25.552 24.472 1.00 0.00 ATOM 469 CB VAL 54 22.236 25.276 23.217 1.00 0.00 ATOM 470 CG1 VAL 54 21.039 24.442 23.628 1.00 0.00 ATOM 471 CG2 VAL 54 21.689 26.584 22.684 1.00 0.00 ATOM 472 O VAL 54 22.827 23.875 26.194 1.00 0.00 ATOM 473 C VAL 54 23.469 24.280 25.215 1.00 0.00 ATOM 474 N LEU 55 24.505 23.653 24.665 1.00 0.00 ATOM 475 CA LEU 55 25.020 22.386 25.203 1.00 0.00 ATOM 476 CB LEU 55 26.078 21.791 24.279 1.00 0.00 ATOM 477 CG LEU 55 26.695 20.485 24.816 1.00 0.00 ATOM 478 CD1 LEU 55 25.687 19.338 24.815 1.00 0.00 ATOM 479 CD2 LEU 55 27.893 20.027 23.995 1.00 0.00 ATOM 480 O LEU 55 25.271 21.784 27.515 1.00 0.00 ATOM 481 C LEU 55 25.554 22.574 26.610 1.00 0.00 ATOM 482 N ILE 56 26.374 23.610 26.847 1.00 0.00 ATOM 483 CA ILE 56 26.967 23.817 28.175 1.00 0.00 ATOM 484 CB ILE 56 28.054 24.925 28.139 1.00 0.00 ATOM 485 CG1 ILE 56 29.144 24.610 27.116 1.00 0.00 ATOM 486 CG2 ILE 56 28.600 25.225 29.555 1.00 0.00 ATOM 487 CD1 ILE 56 30.208 25.702 26.953 1.00 0.00 ATOM 488 O ILE 56 25.834 23.366 30.259 1.00 0.00 ATOM 489 C ILE 56 25.869 24.049 29.231 1.00 0.00 ATOM 490 N PRO 57 25.065 25.090 28.935 1.00 0.00 ATOM 491 CA PRO 57 23.823 25.346 29.667 1.00 0.00 ATOM 492 CB PRO 57 23.165 26.457 28.831 1.00 0.00 ATOM 493 CG PRO 57 24.422 27.274 28.431 1.00 0.00 ATOM 494 CD PRO 57 25.441 26.228 28.033 1.00 0.00 ATOM 495 O PRO 57 21.997 23.948 30.416 1.00 0.00 ATOM 496 C PRO 57 22.892 24.139 29.589 1.00 0.00 ATOM 497 N ARG 58 23.311 26.015 30.964 1.00 0.00 ATOM 498 CA ARG 58 22.624 26.751 32.019 1.00 0.00 ATOM 499 CB ARG 58 21.454 27.529 31.517 1.00 0.00 ATOM 500 CG ARG 58 21.825 28.774 30.713 1.00 0.00 ATOM 501 CD ARG 58 22.479 29.836 31.600 1.00 0.00 ATOM 502 NE ARG 58 22.800 31.081 30.891 1.00 0.00 ATOM 503 CZ ARG 58 21.935 32.059 30.617 1.00 0.00 ATOM 504 NH1 ARG 58 20.669 31.985 30.995 1.00 0.00 ATOM 505 NH2 ARG 58 22.355 33.138 29.970 1.00 0.00 ATOM 506 O ARG 58 22.180 25.904 34.148 1.00 0.00 ATOM 507 C ARG 58 21.981 25.780 32.956 1.00 0.00 ATOM 508 N MET 59 21.377 24.786 32.334 1.00 0.00 ATOM 509 CA MET 59 20.888 23.611 33.038 1.00 0.00 ATOM 510 CB MET 59 20.259 22.665 32.054 1.00 0.00 ATOM 511 CG MET 59 18.965 23.286 31.590 1.00 0.00 ATOM 512 SD MET 59 18.057 22.046 30.646 1.00 0.00 ATOM 513 CE MET 59 18.048 20.650 31.751 1.00 0.00 ATOM 514 O MET 59 21.824 22.487 34.937 1.00 0.00 ATOM 515 C MET 59 21.994 22.854 33.772 1.00 0.00 ATOM 516 N HIS 60 23.151 22.604 33.099 1.00 0.00 ATOM 517 CA HIS 60 24.296 21.942 33.693 1.00 0.00 ATOM 518 CB HIS 60 25.479 21.899 32.733 1.00 0.00 ATOM 519 CG HIS 60 26.813 21.575 33.419 1.00 0.00 ATOM 520 CD2 HIS 60 27.361 20.399 33.729 1.00 0.00 ATOM 521 ND1 HIS 60 27.604 22.521 33.904 1.00 0.00 ATOM 522 CE1 HIS 60 28.638 21.954 34.503 1.00 0.00 ATOM 523 NE2 HIS 60 28.495 20.637 34.371 1.00 0.00 ATOM 524 O HIS 60 24.940 22.157 36.000 1.00 0.00 ATOM 525 C HIS 60 24.800 22.717 34.909 1.00 0.00 ATOM 526 N ASP 61 25.055 23.971 34.722 1.00 0.00 ATOM 527 CA ASP 61 25.561 24.799 35.814 1.00 0.00 ATOM 528 CB ASP 61 25.914 26.187 35.274 1.00 0.00 ATOM 529 CG ASP 61 27.101 26.267 34.316 1.00 0.00 ATOM 530 OD1 ASP 61 27.843 25.278 34.218 1.00 0.00 ATOM 531 OD2 ASP 61 27.205 27.337 33.677 1.00 0.00 ATOM 532 O ASP 61 24.858 24.480 38.094 1.00 0.00 ATOM 533 C ASP 61 24.563 24.848 36.963 1.00 0.00 ATOM 534 N LEU 62 23.301 25.126 36.635 1.00 0.00 ATOM 535 CA LEU 62 22.291 25.300 37.701 1.00 0.00 ATOM 536 CB LEU 62 21.063 26.075 37.222 1.00 0.00 ATOM 537 CG LEU 62 20.168 26.599 38.358 1.00 0.00 ATOM 538 CD1 LEU 62 20.851 27.630 39.236 1.00 0.00 ATOM 539 CD2 LEU 62 18.957 27.346 37.820 1.00 0.00 ATOM 540 O LEU 62 21.745 23.827 39.519 1.00 0.00 ATOM 541 C LEU 62 21.933 23.946 38.303 1.00 0.00 ATOM 542 N LEU 63 21.790 22.906 37.468 1.00 0.00 ATOM 543 CA LEU 63 21.437 21.580 37.949 1.00 0.00 ATOM 544 CB LEU 63 20.947 20.705 36.767 1.00 0.00 ATOM 545 CG LEU 63 20.658 19.281 37.093 1.00 0.00 ATOM 546 CD1 LEU 63 19.527 19.156 38.118 1.00 0.00 ATOM 547 CD2 LEU 63 20.270 18.570 35.800 1.00 0.00 ATOM 548 O LEU 63 22.368 20.377 39.792 1.00 0.00 ATOM 549 C LEU 63 22.583 20.946 38.720 1.00 0.00 ATOM 550 N ASP 64 23.817 21.043 38.179 1.00 0.00 ATOM 551 CA ASP 64 24.965 20.455 38.861 1.00 0.00 ATOM 552 CB ASP 64 26.236 20.732 38.047 1.00 0.00 ATOM 553 CG ASP 64 27.480 20.038 38.588 1.00 0.00 ATOM 554 OD1 ASP 64 27.462 18.801 38.737 1.00 0.00 ATOM 555 OD2 ASP 64 28.401 20.790 38.982 1.00 0.00 ATOM 556 O ASP 64 25.231 20.323 41.240 1.00 0.00 ATOM 557 C ASP 64 25.156 21.047 40.261 1.00 0.00 ATOM 558 N ASN 65 25.055 22.370 40.345 1.00 0.00 ATOM 559 CA ASN 65 25.121 23.039 41.649 1.00 0.00 ATOM 560 CB ASN 65 25.769 24.503 41.354 1.00 0.00 ATOM 561 CG ASN 65 27.213 24.509 40.903 1.00 0.00 ATOM 562 ND2 ASN 65 27.868 23.362 40.981 1.00 0.00 ATOM 563 OD1 ASN 65 27.741 25.555 40.487 1.00 0.00 ATOM 564 O ASN 65 23.853 23.129 43.566 1.00 0.00 ATOM 565 C ASN 65 23.808 23.064 42.345 1.00 0.00 ATOM 566 N LYS 66 22.226 22.967 41.765 1.00 0.00 ATOM 567 CA LYS 66 20.925 22.855 42.411 1.00 0.00 ATOM 568 CB LYS 66 19.710 23.200 41.600 1.00 0.00 ATOM 569 CG LYS 66 18.325 22.991 42.286 1.00 0.00 ATOM 570 CD LYS 66 17.776 24.040 43.250 1.00 0.00 ATOM 571 CE LYS 66 16.580 23.571 44.105 1.00 0.00 ATOM 572 NZ LYS 66 16.843 22.701 45.274 1.00 0.00 ATOM 573 O LYS 66 19.755 21.002 43.525 1.00 0.00 ATOM 574 C LYS 66 20.653 21.409 42.765 1.00 0.00 ATOM 575 N GLN 67 21.687 20.694 42.510 1.00 0.00 ATOM 576 CA GLN 67 21.902 19.604 43.396 1.00 0.00 ATOM 577 CB GLN 67 23.342 18.980 43.053 1.00 0.00 ATOM 578 CG GLN 67 23.628 17.552 43.398 1.00 0.00 ATOM 579 CD GLN 67 22.858 16.578 42.528 1.00 0.00 ATOM 580 OE1 GLN 67 23.257 16.355 41.392 1.00 0.00 ATOM 581 NE2 GLN 67 21.755 16.025 43.032 1.00 0.00 ATOM 582 O GLN 67 22.227 19.213 45.649 1.00 0.00 ATOM 583 C GLN 67 22.043 20.172 44.894 1.00 0.00 ATOM 584 N PRO 68 21.957 21.316 45.775 1.00 0.00 ATOM 585 CA PRO 68 21.675 22.791 45.498 1.00 0.00 ATOM 586 CB PRO 68 20.311 23.003 46.136 1.00 0.00 ATOM 587 CG PRO 68 20.158 21.911 47.151 1.00 0.00 ATOM 588 CD PRO 68 20.845 20.736 46.530 1.00 0.00 ATOM 589 O PRO 68 23.102 24.737 45.314 1.00 0.00 ATOM 590 C PRO 68 22.334 24.088 46.015 1.00 0.00 ATOM 591 N LEU 69 21.316 24.707 46.731 1.00 0.00 ATOM 592 CA LEU 69 21.763 25.528 47.860 1.00 0.00 ATOM 593 CB LEU 69 23.244 25.324 48.090 1.00 0.00 ATOM 594 CG LEU 69 23.558 23.854 48.411 1.00 0.00 ATOM 595 CD1 LEU 69 25.044 23.669 48.674 1.00 0.00 ATOM 596 CD2 LEU 69 22.751 23.412 49.623 1.00 0.00 ATOM 597 O LEU 69 21.211 27.422 46.526 1.00 0.00 ATOM 598 C LEU 69 21.658 27.037 47.602 1.00 0.00 ATOM 599 N PRO 70 22.379 27.859 48.356 1.00 0.00 ATOM 600 CA PRO 70 22.562 29.254 47.956 1.00 0.00 ATOM 601 CB PRO 70 23.451 29.847 49.000 1.00 0.00 ATOM 602 CG PRO 70 23.047 29.075 50.248 1.00 0.00 ATOM 603 CD PRO 70 22.865 27.667 49.739 1.00 0.00 ATOM 604 O PRO 70 22.987 30.378 45.954 1.00 0.00 ATOM 605 C PRO 70 23.227 29.379 46.594 1.00 0.00 ATOM 606 N GLY 71 24.070 28.335 46.145 1.00 0.00 ATOM 607 CA GLY 71 24.766 28.385 44.857 1.00 0.00 ATOM 608 O GLY 71 23.949 29.172 42.747 1.00 0.00 ATOM 609 C GLY 71 23.807 28.373 43.679 1.00 0.00 ATOM 610 N ALA 72 22.863 27.461 43.666 1.00 0.00 ATOM 611 CA ALA 72 21.884 27.382 42.588 1.00 0.00 ATOM 612 CB ALA 72 20.909 26.245 42.856 1.00 0.00 ATOM 613 O ALA 72 20.937 29.388 41.586 1.00 0.00 ATOM 614 C ALA 72 21.118 28.706 42.617 1.00 0.00 ATOM 615 N PHE 73 20.793 29.086 43.826 1.00 0.00 ATOM 616 CA PHE 73 20.074 30.343 43.971 1.00 0.00 ATOM 617 CB PHE 73 19.702 30.622 45.411 1.00 0.00 ATOM 618 CG PHE 73 18.685 29.650 45.951 1.00 0.00 ATOM 619 CD1 PHE 73 18.610 29.396 47.317 1.00 0.00 ATOM 620 CD2 PHE 73 17.792 28.999 45.100 1.00 0.00 ATOM 621 CE1 PHE 73 17.664 28.506 47.829 1.00 0.00 ATOM 622 CE2 PHE 73 16.841 28.108 45.602 1.00 0.00 ATOM 623 CZ PHE 73 16.779 27.862 46.970 1.00 0.00 ATOM 624 O PHE 73 20.479 32.436 42.713 1.00 0.00 ATOM 625 C PHE 73 20.955 31.515 43.411 1.00 0.00 ATOM 626 N ALA 74 22.210 31.629 43.854 1.00 0.00 ATOM 627 CA ALA 74 23.081 32.798 43.509 1.00 0.00 ATOM 628 CB ALA 74 24.409 32.691 44.211 1.00 0.00 ATOM 629 O ALA 74 23.348 33.977 41.423 1.00 0.00 ATOM 630 C ALA 74 23.347 32.894 42.008 1.00 0.00 ATOM 631 N VAL 75 23.622 31.741 41.407 1.00 0.00 ATOM 632 CA VAL 75 23.896 31.693 39.965 1.00 0.00 ATOM 633 CB VAL 75 24.352 30.299 39.561 1.00 0.00 ATOM 634 CG1 VAL 75 24.629 30.322 38.074 1.00 0.00 ATOM 635 CG2 VAL 75 25.650 29.887 40.247 1.00 0.00 ATOM 636 O VAL 75 22.763 32.829 38.179 1.00 0.00 ATOM 637 C VAL 75 22.660 32.203 39.233 1.00 0.00 ATOM 638 N ALA 76 21.493 31.898 39.827 1.00 0.00 ATOM 639 CA ALA 76 20.251 32.351 39.219 1.00 0.00 ATOM 640 CB ALA 76 19.044 31.857 39.909 1.00 0.00 ATOM 641 O ALA 76 20.183 34.423 38.036 1.00 0.00 ATOM 642 C ALA 76 20.269 33.872 39.135 1.00 0.00 ATOM 643 N PRO 77 20.616 34.560 40.232 1.00 0.00 ATOM 644 CA PRO 77 20.641 36.026 40.170 1.00 0.00 ATOM 645 CB PRO 77 20.731 36.391 41.681 1.00 0.00 ATOM 646 CG PRO 77 20.051 35.251 42.369 1.00 0.00 ATOM 647 CD PRO 77 20.436 34.006 41.572 1.00 0.00 ATOM 648 O PRO 77 21.486 37.702 38.662 1.00 0.00 ATOM 649 C PRO 77 21.703 36.629 39.248 1.00 0.00 ATOM 650 N TYR 78 22.876 35.982 39.185 1.00 0.00 ATOM 651 CA TYR 78 23.945 36.465 38.310 1.00 0.00 ATOM 652 CB TYR 78 25.191 35.617 38.513 1.00 0.00 ATOM 653 CG TYR 78 26.367 36.130 37.687 1.00 0.00 ATOM 654 CD1 TYR 78 27.045 37.302 38.026 1.00 0.00 ATOM 655 CD2 TYR 78 26.764 35.407 36.575 1.00 0.00 ATOM 656 CE1 TYR 78 28.107 37.717 37.257 1.00 0.00 ATOM 657 CE2 TYR 78 27.846 35.841 35.818 1.00 0.00 ATOM 658 CZ TYR 78 28.514 36.993 36.160 1.00 0.00 ATOM 659 OH TYR 78 29.739 37.201 35.661 1.00 0.00 ATOM 660 O TYR 78 23.619 37.540 36.169 1.00 0.00 ATOM 661 C TYR 78 23.461 36.530 36.845 1.00 0.00 ATOM 662 N TYR 79 22.706 35.515 36.427 1.00 0.00 ATOM 663 CA TYR 79 22.022 35.471 35.120 1.00 0.00 ATOM 664 CB TYR 79 21.623 34.031 34.786 1.00 0.00 ATOM 665 CG TYR 79 22.828 33.192 34.376 1.00 0.00 ATOM 666 CD1 TYR 79 23.559 33.623 33.297 1.00 0.00 ATOM 667 CD2 TYR 79 23.159 31.999 35.008 1.00 0.00 ATOM 668 CE1 TYR 79 24.595 32.842 32.829 1.00 0.00 ATOM 669 CE2 TYR 79 24.222 31.237 34.537 1.00 0.00 ATOM 670 CZ TYR 79 24.947 31.659 33.437 1.00 0.00 ATOM 671 OH TYR 79 25.954 30.942 32.861 1.00 0.00 ATOM 672 O TYR 79 20.580 36.969 33.916 1.00 0.00 ATOM 673 C TYR 79 20.864 36.457 35.000 1.00 0.00 ATOM 674 N GLU 80 20.202 36.739 36.117 1.00 0.00 ATOM 675 CA GLU 80 19.116 37.715 36.104 1.00 0.00 ATOM 676 CB GLU 80 18.646 37.984 37.554 1.00 0.00 ATOM 677 CG GLU 80 17.221 38.503 37.726 1.00 0.00 ATOM 678 CD GLU 80 16.924 39.084 39.121 1.00 0.00 ATOM 679 OE1 GLU 80 17.643 38.753 40.085 1.00 0.00 ATOM 680 OE2 GLU 80 16.126 40.027 39.159 1.00 0.00 ATOM 681 O GLU 80 19.261 39.716 34.776 1.00 0.00 ATOM 682 C GLU 80 19.737 39.045 35.693 1.00 0.00 ATOM 683 N MET 81 20.844 39.350 36.327 1.00 0.00 ATOM 684 CA MET 81 21.520 40.608 36.055 1.00 0.00 ATOM 685 CB MET 81 22.645 40.710 37.067 1.00 0.00 ATOM 686 CG MET 81 22.185 41.114 38.455 1.00 0.00 ATOM 687 SD MET 81 23.607 41.158 39.602 1.00 0.00 ATOM 688 CE MET 81 24.536 42.518 38.928 1.00 0.00 ATOM 689 O MET 81 22.195 41.788 34.111 1.00 0.00 ATOM 690 C MET 81 22.170 40.705 34.684 1.00 0.00 ATOM 691 N ALA 82 22.804 39.623 34.240 1.00 0.00 ATOM 692 CA ALA 82 23.622 39.619 33.013 1.00 0.00 ATOM 693 CB ALA 82 24.164 38.325 32.614 1.00 0.00 ATOM 694 O ALA 82 23.233 41.090 31.147 1.00 0.00 ATOM 695 C ALA 82 22.822 40.149 31.829 1.00 0.00 ATOM 696 N LEU 83 21.711 39.582 31.625 1.00 0.00 ATOM 697 CA LEU 83 20.936 39.929 30.451 1.00 0.00 ATOM 698 CB LEU 83 19.738 39.061 30.366 1.00 0.00 ATOM 699 CG LEU 83 19.015 39.514 29.137 1.00 0.00 ATOM 700 CD1 LEU 83 19.587 38.977 27.856 1.00 0.00 ATOM 701 CD2 LEU 83 17.596 39.291 29.464 1.00 0.00 ATOM 702 O LEU 83 20.647 42.076 29.659 1.00 0.00 ATOM 703 C LEU 83 20.406 41.340 30.587 1.00 0.00 ATOM 704 N ALA 84 19.616 41.617 31.717 1.00 0.00 ATOM 705 CA ALA 84 18.992 42.944 31.884 1.00 0.00 ATOM 706 CB ALA 84 18.564 43.121 33.343 1.00 0.00 ATOM 707 O ALA 84 19.488 45.023 30.776 1.00 0.00 ATOM 708 C ALA 84 19.929 44.023 31.342 1.00 0.00 ATOM 709 N THR 85 21.261 43.794 31.514 1.00 0.00 ATOM 710 CA THR 85 22.266 44.742 31.050 1.00 0.00 ATOM 711 CB THR 85 23.529 44.586 31.898 1.00 0.00 ATOM 712 CG2 THR 85 24.614 45.528 31.396 1.00 0.00 ATOM 713 OG1 THR 85 23.227 44.828 33.278 1.00 0.00 ATOM 714 O THR 85 22.981 45.490 28.884 1.00 0.00 ATOM 715 C THR 85 22.622 44.533 29.569 1.00 0.00 ATOM 716 N ASP 86 22.785 43.258 29.190 1.00 0.00 ATOM 717 CA ASP 86 23.249 42.920 27.856 1.00 0.00 ATOM 718 CB ASP 86 23.978 41.570 27.874 1.00 0.00 ATOM 719 CG ASP 86 25.307 41.646 28.606 1.00 0.00 ATOM 720 OD1 ASP 86 25.995 42.696 28.490 1.00 0.00 ATOM 721 OD2 ASP 86 25.670 40.663 29.291 1.00 0.00 ATOM 722 O ASP 86 22.227 43.170 25.707 1.00 0.00 ATOM 723 C ASP 86 22.112 42.743 26.855 1.00 0.00 ATOM 724 N HIS 87 20.724 42.284 27.148 1.00 0.00 ATOM 725 CA HIS 87 19.585 42.030 26.260 1.00 0.00 ATOM 726 CB HIS 87 19.891 41.040 25.121 1.00 0.00 ATOM 727 CG HIS 87 21.101 41.269 24.200 1.00 0.00 ATOM 728 CD2 HIS 87 22.260 40.608 24.155 1.00 0.00 ATOM 729 ND1 HIS 87 21.135 42.202 23.256 1.00 0.00 ATOM 730 CE1 HIS 87 22.343 42.180 22.740 1.00 0.00 ATOM 731 NE2 HIS 87 23.040 41.180 23.241 1.00 0.00 ATOM 732 O HIS 87 18.288 41.963 28.259 1.00 0.00 ATOM 733 C HIS 87 18.235 41.758 27.055 1.00 0.00 ATOM 734 N PRO 88 16.997 41.178 26.315 1.00 0.00 ATOM 735 CA PRO 88 15.807 40.602 27.042 1.00 0.00 ATOM 736 CB PRO 88 14.603 41.228 26.298 1.00 0.00 ATOM 737 CG PRO 88 15.164 41.518 24.935 1.00 0.00 ATOM 738 CD PRO 88 16.571 41.994 25.208 1.00 0.00 ATOM 739 O PRO 88 15.046 38.621 28.157 1.00 0.00 ATOM 740 C PRO 88 15.658 39.094 27.199 1.00 0.00 ATOM 741 N GLN 89 16.212 38.342 26.265 1.00 0.00 ATOM 742 CA GLN 89 16.082 36.890 26.314 1.00 0.00 ATOM 743 CB GLN 89 16.563 36.487 24.941 1.00 0.00 ATOM 744 CG GLN 89 15.632 36.890 23.808 1.00 0.00 ATOM 745 CD GLN 89 14.179 36.481 24.010 1.00 0.00 ATOM 746 OE1 GLN 89 13.806 35.353 24.305 1.00 0.00 ATOM 747 NE2 GLN 89 13.347 37.478 23.829 1.00 0.00 ATOM 748 O GLN 89 16.331 35.210 27.934 1.00 0.00 ATOM 749 C GLN 89 16.848 36.180 27.406 1.00 0.00 ATOM 750 N ARG 90 18.073 36.616 27.838 1.00 0.00 ATOM 751 CA ARG 90 18.844 35.961 28.891 1.00 0.00 ATOM 752 CB ARG 90 20.307 36.452 29.075 1.00 0.00 ATOM 753 CG ARG 90 21.278 36.415 27.879 1.00 0.00 ATOM 754 CD ARG 90 22.672 36.921 28.270 1.00 0.00 ATOM 755 NE ARG 90 23.590 36.770 27.140 1.00 0.00 ATOM 756 CZ ARG 90 24.771 37.389 26.970 1.00 0.00 ATOM 757 NH1 ARG 90 25.317 38.258 27.830 1.00 0.00 ATOM 758 NH2 ARG 90 25.536 37.015 25.951 1.00 0.00 ATOM 759 O ARG 90 18.048 34.932 30.923 1.00 0.00 ATOM 760 C ARG 90 18.102 35.967 30.233 1.00 0.00 ATOM 761 N ALA 91 17.519 37.114 30.598 1.00 0.00 ATOM 762 CA ALA 91 16.807 37.179 31.903 1.00 0.00 ATOM 763 CB ALA 91 16.372 38.605 32.209 1.00 0.00 ATOM 764 O ALA 91 15.387 35.624 32.950 1.00 0.00 ATOM 765 C ALA 91 15.562 36.327 31.960 1.00 0.00 ATOM 766 N LEU 92 14.784 36.305 30.877 1.00 0.00 ATOM 767 CA LEU 92 13.676 35.337 30.785 1.00 0.00 ATOM 768 CB LEU 92 12.937 35.513 29.468 1.00 0.00 ATOM 769 CG LEU 92 12.157 36.846 29.398 1.00 0.00 ATOM 770 CD1 LEU 92 11.519 36.932 28.026 1.00 0.00 ATOM 771 CD2 LEU 92 11.058 36.910 30.464 1.00 0.00 ATOM 772 O LEU 92 13.580 33.055 31.473 1.00 0.00 ATOM 773 C LEU 92 14.225 33.926 30.900 1.00 0.00 ATOM 774 N ILE 93 15.397 33.723 30.332 1.00 0.00 ATOM 775 CA ILE 93 16.036 32.408 30.430 1.00 0.00 ATOM 776 CB ILE 93 17.322 32.376 29.604 1.00 0.00 ATOM 777 CG1 ILE 93 17.135 32.433 28.091 1.00 0.00 ATOM 778 CG2 ILE 93 17.855 30.998 29.843 1.00 0.00 ATOM 779 CD1 ILE 93 18.429 32.744 27.327 1.00 0.00 ATOM 780 O ILE 93 16.115 30.919 32.291 1.00 0.00 ATOM 781 C ILE 93 16.291 32.067 31.902 1.00 0.00 ATOM 782 N LEU 94 16.839 33.037 32.624 1.00 0.00 ATOM 783 CA LEU 94 17.069 32.819 34.055 1.00 0.00 ATOM 784 CB LEU 94 17.649 34.054 34.726 1.00 0.00 ATOM 785 CG LEU 94 17.726 33.683 36.207 1.00 0.00 ATOM 786 CD1 LEU 94 18.700 32.541 36.437 1.00 0.00 ATOM 787 CD2 LEU 94 17.965 34.841 37.121 1.00 0.00 ATOM 788 O LEU 94 15.768 31.543 35.607 1.00 0.00 ATOM 789 C LEU 94 15.789 32.468 34.801 1.00 0.00 ATOM 790 N ALA 95 14.699 33.180 34.512 1.00 0.00 ATOM 791 CA ALA 95 13.413 32.935 35.160 1.00 0.00 ATOM 792 CB ALA 95 12.427 33.972 34.605 1.00 0.00 ATOM 793 O ALA 95 12.496 30.795 35.718 1.00 0.00 ATOM 794 C ALA 95 12.899 31.531 34.842 1.00 0.00 ATOM 795 N GLU 96 12.941 31.165 33.591 1.00 0.00 ATOM 796 CA GLU 96 12.437 29.832 33.229 1.00 0.00 ATOM 797 CB GLU 96 12.395 29.877 31.706 1.00 0.00 ATOM 798 CG GLU 96 11.262 30.745 31.156 1.00 0.00 ATOM 799 CD GLU 96 9.869 30.464 31.722 1.00 0.00 ATOM 800 OE1 GLU 96 9.445 29.292 31.800 1.00 0.00 ATOM 801 OE2 GLU 96 9.289 31.441 32.242 1.00 0.00 ATOM 802 O GLU 96 12.939 27.645 34.036 1.00 0.00 ATOM 803 C GLU 96 13.381 28.758 33.720 1.00 0.00 ATOM 804 N LEU 97 14.714 29.027 33.672 1.00 0.00 ATOM 805 CA LEU 97 15.689 28.054 34.146 1.00 0.00 ATOM 806 CB LEU 97 17.079 28.659 33.978 1.00 0.00 ATOM 807 CG LEU 97 18.214 27.712 34.384 1.00 0.00 ATOM 808 CD1 LEU 97 18.228 26.463 33.513 1.00 0.00 ATOM 809 CD2 LEU 97 19.550 28.447 34.299 1.00 0.00 ATOM 810 O LEU 97 15.663 26.546 35.989 1.00 0.00 ATOM 811 C LEU 97 15.442 27.700 35.619 1.00 0.00 ATOM 812 N GLU 98 14.993 28.676 36.386 1.00 0.00 ATOM 813 CA GLU 98 14.628 28.458 37.799 1.00 0.00 ATOM 814 CB GLU 98 14.074 29.771 38.360 1.00 0.00 ATOM 815 CG GLU 98 13.563 29.652 39.796 1.00 0.00 ATOM 816 CD GLU 98 13.120 31.015 40.326 1.00 0.00 ATOM 817 OE1 GLU 98 12.580 31.814 39.526 1.00 0.00 ATOM 818 OE2 GLU 98 13.389 31.269 41.516 1.00 0.00 ATOM 819 O GLU 98 13.734 26.428 38.729 1.00 0.00 ATOM 820 C GLU 98 13.597 27.338 37.909 1.00 0.00 ATOM 821 N LYS 99 12.537 27.384 37.062 1.00 0.00 ATOM 822 CA LYS 99 11.490 26.370 37.069 1.00 0.00 ATOM 823 CB LYS 99 10.439 26.773 36.046 1.00 0.00 ATOM 824 CG LYS 99 9.264 25.798 36.014 1.00 0.00 ATOM 825 CD LYS 99 8.244 26.277 34.998 1.00 0.00 ATOM 826 CE LYS 99 7.110 25.274 35.000 1.00 0.00 ATOM 827 NZ LYS 99 6.067 25.563 34.004 1.00 0.00 ATOM 828 O LYS 99 11.790 24.031 37.471 1.00 0.00 ATOM 829 C LYS 99 12.049 24.989 36.734 1.00 0.00 ATOM 830 N LEU 100 12.843 24.913 35.660 1.00 0.00 ATOM 831 CA LEU 100 13.426 23.625 35.260 1.00 0.00 ATOM 832 CB LEU 100 14.207 23.750 33.998 1.00 0.00 ATOM 833 CG LEU 100 14.881 22.491 33.485 1.00 0.00 ATOM 834 CD1 LEU 100 13.849 21.422 33.143 1.00 0.00 ATOM 835 CD2 LEU 100 15.689 22.833 32.266 1.00 0.00 ATOM 836 O LEU 100 14.328 21.876 36.643 1.00 0.00 ATOM 837 C LEU 100 14.355 23.066 36.334 1.00 0.00 ATOM 838 N ASP 101 15.188 23.934 36.887 1.00 0.00 ATOM 839 CA ASP 101 16.137 23.547 37.917 1.00 0.00 ATOM 840 CB ASP 101 16.852 24.800 38.348 1.00 0.00 ATOM 841 CG ASP 101 17.947 24.436 39.324 1.00 0.00 ATOM 842 OD1 ASP 101 18.760 23.569 38.933 1.00 0.00 ATOM 843 OD2 ASP 101 17.852 25.020 40.418 1.00 0.00 ATOM 844 O ASP 101 15.810 22.015 39.733 1.00 0.00 ATOM 845 C ASP 101 15.425 23.035 39.167 1.00 0.00 ATOM 846 N ALA 102 14.392 23.721 39.543 1.00 0.00 ATOM 847 CA ALA 102 13.633 23.301 40.716 1.00 0.00 ATOM 848 CB ALA 102 12.483 24.289 40.821 1.00 0.00 ATOM 849 O ALA 102 13.113 21.062 41.421 1.00 0.00 ATOM 850 C ALA 102 13.084 21.889 40.507 1.00 0.00 ATOM 851 N LEU 103 12.618 21.595 39.278 1.00 0.00 ATOM 852 CA LEU 103 12.091 20.274 38.951 1.00 0.00 ATOM 853 CB LEU 103 11.460 20.265 37.575 1.00 0.00 ATOM 854 CG LEU 103 10.093 20.956 37.527 1.00 0.00 ATOM 855 CD1 LEU 103 9.729 21.287 36.095 1.00 0.00 ATOM 856 CD2 LEU 103 9.038 20.050 38.198 1.00 0.00 ATOM 857 O LEU 103 12.945 18.104 39.482 1.00 0.00 ATOM 858 C LEU 103 13.194 19.223 39.041 1.00 0.00 ATOM 859 N PHE 104 14.387 19.576 38.587 1.00 0.00 ATOM 860 CA PHE 104 15.478 18.613 38.677 1.00 0.00 ATOM 861 CB PHE 104 16.754 19.075 37.961 1.00 0.00 ATOM 862 CG PHE 104 16.666 18.939 36.469 1.00 0.00 ATOM 863 CD1 PHE 104 16.724 17.683 35.868 1.00 0.00 ATOM 864 CD2 PHE 104 16.500 20.047 35.666 1.00 0.00 ATOM 865 CE1 PHE 104 16.609 17.555 34.482 1.00 0.00 ATOM 866 CE2 PHE 104 16.384 19.927 34.277 1.00 0.00 ATOM 867 CZ PHE 104 16.442 18.673 33.682 1.00 0.00 ATOM 868 O PHE 104 16.004 17.123 40.475 1.00 0.00 ATOM 869 C PHE 104 15.736 18.281 40.140 1.00 0.00 ATOM 870 N ALA 105 15.645 19.298 41.013 1.00 0.00 ATOM 871 CA ALA 105 15.862 19.015 42.433 1.00 0.00 ATOM 872 CB ALA 105 15.784 20.321 43.275 1.00 0.00 ATOM 873 O ALA 105 15.115 17.226 43.830 1.00 0.00 ATOM 874 C ALA 105 14.820 18.015 42.939 1.00 0.00 ATOM 875 N ASP 106 13.662 17.985 42.284 1.00 0.00 ATOM 876 CA ASP 106 12.587 17.075 42.665 1.00 0.00 ATOM 877 CB ASP 106 11.233 17.748 42.444 1.00 0.00 ATOM 878 CG ASP 106 10.088 16.953 43.022 1.00 0.00 ATOM 879 OD1 ASP 106 10.267 15.733 43.253 1.00 0.00 ATOM 880 OD2 ASP 106 9.007 17.546 43.226 1.00 0.00 ATOM 881 O ASP 106 12.141 15.763 40.689 1.00 0.00 ATOM 882 C ASP 106 12.737 15.850 41.764 1.00 0.00 ATOM 883 N ASP 107 13.555 14.916 42.207 1.00 0.00 ATOM 884 CA ASP 107 13.843 13.718 41.436 1.00 0.00 ATOM 885 CB ASP 107 14.861 12.821 42.135 1.00 0.00 ATOM 886 CG ASP 107 16.153 13.538 42.462 1.00 0.00 ATOM 887 OD1 ASP 107 16.739 14.152 41.546 1.00 0.00 ATOM 888 OD2 ASP 107 16.585 13.486 43.636 1.00 0.00 ATOM 889 O ASP 107 12.572 12.398 39.888 1.00 0.00 ATOM 890 C ASP 107 12.642 12.861 41.029 1.00 0.00 ATOM 891 N ALA 108 11.661 12.580 41.976 1.00 0.00 ATOM 892 CA ALA 108 10.488 11.792 41.641 1.00 0.00 ATOM 893 CB ALA 108 9.626 11.567 42.888 1.00 0.00 ATOM 894 O ALA 108 9.318 11.856 39.562 1.00 0.00 ATOM 895 C ALA 108 9.659 12.486 40.566 1.00 0.00 ATOM 896 N SER 109 9.425 13.805 40.690 1.00 0.00 ATOM 897 CA SER 109 8.659 14.513 39.672 1.00 0.00 ATOM 898 CB SER 109 8.253 15.917 40.163 1.00 0.00 ATOM 899 OG SER 109 9.350 16.740 40.505 1.00 0.00 ATOM 900 O SER 109 8.773 14.601 37.309 1.00 0.00 ATOM 901 C SER 109 9.412 14.628 38.360 1.00 0.00 ATOM 902 N LEU 110 10.752 14.698 38.389 1.00 0.00 ATOM 903 CA LEU 110 11.555 14.693 37.168 1.00 0.00 ATOM 904 CB LEU 110 13.046 14.904 37.530 1.00 0.00 ATOM 905 CG LEU 110 14.029 15.036 36.369 1.00 0.00 ATOM 906 CD1 LEU 110 13.662 16.154 35.403 1.00 0.00 ATOM 907 CD2 LEU 110 15.447 15.231 36.881 1.00 0.00 ATOM 908 O LEU 110 11.345 13.457 35.145 1.00 0.00 ATOM 909 C LEU 110 11.417 13.392 36.372 1.00 0.00 ATOM 910 N GLU 111 11.437 12.218 37.021 1.00 0.00 ATOM 911 CA GLU 111 11.276 10.952 36.307 1.00 0.00 ATOM 912 CB GLU 111 11.483 9.763 37.199 1.00 0.00 ATOM 913 CG GLU 111 12.955 9.526 37.501 1.00 0.00 ATOM 914 CD GLU 111 13.187 8.446 38.536 1.00 0.00 ATOM 915 OE1 GLU 111 12.348 7.534 38.640 1.00 0.00 ATOM 916 OE2 GLU 111 14.222 8.507 39.230 1.00 0.00 ATOM 917 O GLU 111 9.768 10.659 34.471 1.00 0.00 ATOM 918 C GLU 111 9.885 10.927 35.658 1.00 0.00 ATOM 919 N HIS 112 8.860 11.250 36.414 1.00 0.00 ATOM 920 CA HIS 112 7.500 11.292 35.855 1.00 0.00 ATOM 921 CB HIS 112 6.474 11.580 36.949 1.00 0.00 ATOM 922 CG HIS 112 5.084 11.740 36.426 1.00 0.00 ATOM 923 CD2 HIS 112 4.145 10.822 36.093 1.00 0.00 ATOM 924 ND1 HIS 112 4.558 12.968 36.082 1.00 0.00 ATOM 925 CE1 HIS 112 3.356 12.798 35.560 1.00 0.00 ATOM 926 NE2 HIS 112 3.082 11.506 35.554 1.00 0.00 ATOM 927 O HIS 112 6.748 12.042 33.691 1.00 0.00 ATOM 928 C HIS 112 7.355 12.320 34.731 1.00 0.00 ATOM 929 N HIS 113 7.948 13.494 34.926 1.00 0.00 ATOM 930 CA HIS 113 7.896 14.555 33.927 1.00 0.00 ATOM 931 CB HIS 113 8.445 15.868 34.517 1.00 0.00 ATOM 932 CG HIS 113 8.138 17.078 33.701 1.00 0.00 ATOM 933 CD2 HIS 113 7.080 17.916 33.710 1.00 0.00 ATOM 934 ND1 HIS 113 8.973 17.521 32.700 1.00 0.00 ATOM 935 CE1 HIS 113 8.448 18.593 32.135 1.00 0.00 ATOM 936 NE2 HIS 113 7.302 18.857 32.734 1.00 0.00 ATOM 937 O HIS 113 8.186 14.402 31.510 1.00 0.00 ATOM 938 C HIS 113 8.659 14.181 32.619 1.00 0.00 ATOM 939 N HIS 114 9.957 13.629 32.838 1.00 0.00 ATOM 940 CA HIS 114 10.723 13.099 31.702 1.00 0.00 ATOM 941 CB HIS 114 11.950 12.392 32.175 1.00 0.00 ATOM 942 CG HIS 114 12.700 11.694 31.087 1.00 0.00 ATOM 943 CD2 HIS 114 12.756 10.387 30.738 1.00 0.00 ATOM 944 ND1 HIS 114 13.526 12.362 30.208 1.00 0.00 ATOM 945 CE1 HIS 114 14.055 11.496 29.361 1.00 0.00 ATOM 946 NE2 HIS 114 13.603 10.291 29.660 1.00 0.00 ATOM 947 O HIS 114 9.947 12.022 29.699 1.00 0.00 ATOM 948 C HIS 114 9.852 12.113 30.922 1.00 0.00 ATOM 949 N HIS 115 9.075 11.335 31.663 1.00 0.00 ATOM 950 CA HIS 115 8.165 10.398 30.985 1.00 0.00 ATOM 951 CB HIS 115 7.384 9.536 32.019 1.00 0.00 ATOM 952 CG HIS 115 6.303 8.687 31.408 1.00 0.00 ATOM 953 CD2 HIS 115 4.985 8.926 31.212 1.00 0.00 ATOM 954 ND1 HIS 115 6.545 7.431 30.893 1.00 0.00 ATOM 955 CE1 HIS 115 5.417 6.928 30.414 1.00 0.00 ATOM 956 NE2 HIS 115 4.456 7.818 30.589 1.00 0.00 ATOM 957 O HIS 115 6.965 10.701 28.920 1.00 0.00 ATOM 958 C HIS 115 7.189 11.116 30.071 1.00 0.00 ATOM 959 N HIS 116 6.581 12.184 30.595 1.00 0.00 ATOM 960 CA HIS 116 5.586 12.998 29.894 1.00 0.00 ATOM 961 CB HIS 116 5.090 14.150 30.813 1.00 0.00 ATOM 962 CG HIS 116 4.467 15.307 30.081 1.00 0.00 ATOM 963 CD2 HIS 116 4.951 16.535 29.768 1.00 0.00 ATOM 964 ND1 HIS 116 3.155 15.294 29.644 1.00 0.00 ATOM 965 CE1 HIS 116 2.889 16.435 29.028 1.00 0.00 ATOM 966 NE2 HIS 116 3.951 17.211 29.111 1.00 0.00 ATOM 967 O HIS 116 5.522 13.556 27.531 1.00 0.00 ATOM 968 C HIS 116 6.174 13.580 28.590 1.00 0.00 ATOM 969 N HIS 117 7.381 14.133 28.681 1.00 0.00 ATOM 970 CA HIS 117 8.057 14.699 27.509 1.00 0.00 ATOM 971 CB HIS 117 8.592 16.103 27.821 1.00 0.00 ATOM 972 CG HIS 117 9.227 16.726 26.613 1.00 0.00 ATOM 973 CD2 HIS 117 10.495 16.889 26.230 1.00 0.00 ATOM 974 ND1 HIS 117 8.430 17.278 25.598 1.00 0.00 ATOM 975 CE1 HIS 117 9.242 17.742 24.661 1.00 0.00 ATOM 976 NE2 HIS 117 10.503 17.526 25.003 1.00 0.00 ATOM 977 O HIS 117 10.177 13.625 27.804 1.00 0.00 ATOM 978 C HIS 117 9.182 13.773 27.102 1.00 0.00 TER END