PFRMAT TS TARGET T0383 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 Neither BLAST nor our HMMs got hits for T0383, but we were able to METHOD assemble a sheet and helix that look moderately plausible. We relied METHOD on burial predictions to get the phase of the strands of the sheet, METHOD and they may be off by 2. Burial is not as good as we would like, but METHOD we ran out of time to play with the models. METHOD METHOD There is not really time even to go through the README file and figure METHOD out the history of the models. METHOD METHOD Model 1 is try28-opt2, polished from try27-opt2, from try23-opt2, METHOD created from alignments, the most recently added of which is 1xnzA. METHOD Sheet constraints and helix constraints were used in the selection of METHOD the alignment and optimization of the model. METHOD METHOD Model 2 is try15-opt2, an earlier model that was used to get sheet METHOD constraints for the try23-opt2 optimization (but the constraints for METHOD strand N49-I62) were shifted by 1 for the try23 optimization, to flip METHOD the strand over). METHOD METHOD Model 3 is try5-opt2.gromacs0.repack-nonPC, one of rosetta's favorites METHOD of the undertaker-produced backbones that it repacked, but with METHOD polarity problems on the sheet, and with one predicted strand wound up METHOD into a helix. METHOD METHOD Model 4 is try1-opt2, the fully automatic model. METHOD METHOD Model 5 is try21-opt2, one of the many models that had polarity METHOD problems with the sheet, but otherwise scored reasonably well. REMARK 6 REMARK 6 T0383 model 3 Sat Aug 5 21:25:05 2006 MODEL 3 PARENT 1qyn_A 1mug_A 1u6z_A 1xx7_A 1x5k_A REMARK 7 REMARK 7 ALLPARENTS 1qyn_A 1mug_A 1u6z_A 1xx7_A 1x5k_A 1fx3_B 1r8j_A REMARK 7 ALLPARENTS 1e6z_A 1osh_A 1dwn_A 1mva_A 1aq3_A 2gx9_A 1xnz_A REMARK 7 ALLPARENTS 1c24_A 1qyn_A 1j93_A ATOM 1 N SER 1 12.158 46.484 27.222 1.00 0.00 ATOM 2 CA SER 1 10.951 47.301 27.455 1.00 0.00 ATOM 3 CB SER 1 10.977 47.883 28.855 1.00 0.00 ATOM 4 OG SER 1 12.025 48.797 29.025 1.00 0.00 ATOM 5 O SER 1 9.840 49.019 26.243 1.00 0.00 ATOM 6 C SER 1 10.872 48.396 26.399 1.00 0.00 ATOM 7 N ASN 2 12.017 48.671 25.769 1.00 0.00 ATOM 8 CA ASN 2 12.129 49.669 24.701 1.00 0.00 ATOM 9 CB ASN 2 13.560 50.152 24.541 1.00 0.00 ATOM 10 CG ASN 2 14.043 51.000 25.684 1.00 0.00 ATOM 11 ND2 ASN 2 15.343 51.094 25.807 1.00 0.00 ATOM 12 OD1 ASN 2 13.251 51.621 26.402 1.00 0.00 ATOM 13 O ASN 2 11.623 47.864 23.185 1.00 0.00 ATOM 14 C ASN 2 11.596 49.080 23.394 1.00 0.00 ATOM 15 N ALA 3 11.330 49.964 22.452 1.00 0.00 ATOM 16 CA ALA 3 10.799 49.542 21.147 1.00 0.00 ATOM 17 CB ALA 3 10.294 50.731 20.358 1.00 0.00 ATOM 18 O ALA 3 11.576 47.848 19.647 1.00 0.00 ATOM 19 C ALA 3 11.859 48.851 20.301 1.00 0.00 ATOM 20 N MET 4 13.085 49.367 20.378 1.00 0.00 ATOM 21 CA MET 4 14.228 48.694 19.749 1.00 0.00 ATOM 22 CB MET 4 15.491 49.538 19.911 1.00 0.00 ATOM 23 CG MET 4 16.736 48.938 19.271 1.00 0.00 ATOM 24 SD MET 4 18.201 49.963 19.507 1.00 0.00 ATOM 25 CE MET 4 18.536 49.681 21.243 1.00 0.00 ATOM 26 O MET 4 14.515 46.393 19.549 1.00 0.00 ATOM 27 C MET 4 14.434 47.310 20.342 1.00 0.00 ATOM 28 N ASN 5 14.288 47.200 21.668 1.00 0.00 ATOM 29 CA ASN 5 14.376 45.897 22.377 1.00 0.00 ATOM 30 CB ASN 5 14.324 46.080 23.883 1.00 0.00 ATOM 31 CG ASN 5 15.583 46.661 24.465 1.00 0.00 ATOM 32 ND2 ASN 5 15.430 47.346 25.569 1.00 0.00 ATOM 33 OD1 ASN 5 16.688 46.429 23.961 1.00 0.00 ATOM 34 O ASN 5 13.625 43.810 21.530 1.00 0.00 ATOM 35 C ASN 5 13.289 44.907 21.956 1.00 0.00 ATOM 36 N LEU 6 12.071 45.415 21.778 1.00 0.00 ATOM 37 CA LEU 6 10.946 44.590 21.307 1.00 0.00 ATOM 38 CB LEU 6 9.641 45.393 21.361 1.00 0.00 ATOM 39 CG LEU 6 9.122 45.702 22.771 1.00 0.00 ATOM 40 CD1 LEU 6 7.937 46.655 22.694 1.00 0.00 ATOM 41 CD2 LEU 6 8.727 44.406 23.463 1.00 0.00 ATOM 42 O LEU 6 11.110 42.866 19.627 1.00 0.00 ATOM 43 C LEU 6 11.169 44.060 19.891 1.00 0.00 ATOM 44 N LYS 7 11.587 44.970 19.024 1.00 0.00 ATOM 45 CA LYS 7 11.880 44.608 17.636 1.00 0.00 ATOM 46 CB LYS 7 12.166 45.859 16.805 1.00 0.00 ATOM 47 CG LYS 7 10.948 46.738 16.551 1.00 0.00 ATOM 48 CD LYS 7 11.310 47.959 15.719 1.00 0.00 ATOM 49 CE LYS 7 10.097 48.847 15.483 1.00 0.00 ATOM 50 NZ LYS 7 10.442 50.062 14.695 1.00 0.00 ATOM 51 O LYS 7 13.022 42.646 16.830 1.00 0.00 ATOM 52 C LYS 7 13.068 43.637 17.552 1.00 0.00 ATOM 53 N ARG 8 14.050 43.846 18.425 1.00 0.00 ATOM 54 CA ARG 8 15.197 42.930 18.573 1.00 0.00 ATOM 55 CB ARG 8 16.225 43.453 19.565 1.00 0.00 ATOM 56 CG ARG 8 17.027 44.652 19.083 1.00 0.00 ATOM 57 CD ARG 8 17.973 44.351 17.978 1.00 0.00 ATOM 58 NE ARG 8 18.824 45.465 17.593 1.00 0.00 ATOM 59 CZ ARG 8 19.688 45.447 16.559 1.00 0.00 ATOM 60 NH1 ARG 8 19.846 44.366 15.828 1.00 0.00 ATOM 61 NH2 ARG 8 20.390 46.539 16.313 1.00 0.00 ATOM 62 O ARG 8 15.235 40.555 18.383 1.00 0.00 ATOM 63 C ARG 8 14.723 41.532 18.936 1.00 0.00 ATOM 64 N GLU 9 13.893 41.489 19.969 1.00 0.00 ATOM 65 CA GLU 9 13.429 40.212 20.527 1.00 0.00 ATOM 66 CB GLU 9 12.598 40.451 21.790 1.00 0.00 ATOM 67 CG GLU 9 12.129 39.179 22.483 1.00 0.00 ATOM 68 CD GLU 9 11.379 39.491 23.747 1.00 0.00 ATOM 69 OE1 GLU 9 11.251 40.647 24.070 1.00 0.00 ATOM 70 OE2 GLU 9 10.837 38.582 24.333 1.00 0.00 ATOM 71 O GLU 9 12.929 38.282 19.247 1.00 0.00 ATOM 72 C GLU 9 12.616 39.436 19.495 1.00 0.00 ATOM 73 N GLN 10 11.823 40.167 18.711 1.00 0.00 ATOM 74 CA GLN 10 11.053 39.552 17.608 1.00 0.00 ATOM 75 CB GLN 10 10.098 40.575 16.986 1.00 0.00 ATOM 76 CG GLN 10 8.933 40.963 17.883 1.00 0.00 ATOM 77 CD GLN 10 8.083 42.065 17.281 1.00 0.00 ATOM 78 OE1 GLN 10 8.412 42.618 16.227 1.00 0.00 ATOM 79 NE2 GLN 10 6.985 42.397 17.951 1.00 0.00 ATOM 80 O GLN 10 11.772 37.862 16.052 1.00 0.00 ATOM 81 C GLN 10 11.970 38.985 16.515 1.00 0.00 ATOM 82 N GLU 11 12.982 39.770 16.163 1.00 0.00 ATOM 83 CA GLU 11 13.977 39.351 15.165 1.00 0.00 ATOM 84 CB GLU 11 14.915 40.511 14.823 1.00 0.00 ATOM 85 CG GLU 11 14.263 41.632 14.025 1.00 0.00 ATOM 86 CD GLU 11 15.209 42.784 13.832 1.00 0.00 ATOM 87 OE1 GLU 11 16.293 42.734 14.360 1.00 0.00 ATOM 88 OE2 GLU 11 14.892 43.663 13.065 1.00 0.00 ATOM 89 O GLU 11 15.006 37.188 14.905 1.00 0.00 ATOM 90 C GLU 11 14.791 38.151 15.648 1.00 0.00 ATOM 91 N PHE 12 15.117 38.163 16.942 1.00 0.00 ATOM 92 CA PHE 12 15.792 37.022 17.591 1.00 0.00 ATOM 93 CB PHE 12 16.239 37.370 19.009 1.00 0.00 ATOM 94 CG PHE 12 17.652 37.956 19.062 1.00 0.00 ATOM 95 CD1 PHE 12 18.486 37.590 20.093 1.00 0.00 ATOM 96 CD2 PHE 12 18.149 38.850 18.133 1.00 0.00 ATOM 97 CE1 PHE 12 19.768 38.053 20.263 1.00 0.00 ATOM 98 CE2 PHE 12 19.444 39.340 18.282 1.00 0.00 ATOM 99 CZ PHE 12 20.253 38.951 19.340 1.00 0.00 ATOM 100 O PHE 12 15.359 34.683 17.279 1.00 0.00 ATOM 101 C PHE 12 14.912 35.767 17.628 1.00 0.00 ATOM 102 N VAL 13 13.613 36.004 17.815 1.00 0.00 ATOM 103 CA VAL 13 12.612 34.917 17.833 1.00 0.00 ATOM 104 CB VAL 13 11.232 35.410 18.290 1.00 0.00 ATOM 105 CG1 VAL 13 10.143 34.331 18.171 1.00 0.00 ATOM 106 CG2 VAL 13 11.274 35.794 19.769 1.00 0.00 ATOM 107 O VAL 13 12.688 33.039 16.315 1.00 0.00 ATOM 108 C VAL 13 12.556 34.260 16.446 1.00 0.00 ATOM 109 N SER 14 12.404 35.087 15.425 1.00 0.00 ATOM 110 CA SER 14 12.332 34.580 14.047 1.00 0.00 ATOM 111 CB SER 14 12.119 35.697 13.070 1.00 0.00 ATOM 112 OG SER 14 10.851 36.303 13.313 1.00 0.00 ATOM 113 O SER 14 13.581 32.873 12.916 1.00 0.00 ATOM 114 C SER 14 13.626 33.885 13.624 1.00 0.00 ATOM 115 N GLN 15 14.744 34.441 14.084 1.00 0.00 ATOM 116 CA GLN 15 16.072 33.859 13.842 1.00 0.00 ATOM 117 CB GLN 15 17.167 34.778 14.391 1.00 0.00 ATOM 118 CG GLN 15 18.580 34.319 14.074 1.00 0.00 ATOM 119 CD GLN 15 18.864 34.306 12.584 1.00 0.00 ATOM 120 OE1 GLN 15 18.536 35.255 11.867 1.00 0.00 ATOM 121 NE2 GLN 15 19.472 33.225 12.108 1.00 0.00 ATOM 122 O GLN 15 16.618 31.544 13.813 1.00 0.00 ATOM 123 C GLN 15 16.193 32.481 14.476 1.00 0.00 ATOM 124 N TYR 16 15.598 32.346 15.651 1.00 0.00 ATOM 125 CA TYR 16 15.559 31.059 16.369 1.00 0.00 ATOM 126 CB TYR 16 14.944 31.221 17.752 1.00 0.00 ATOM 127 CG TYR 16 14.766 29.869 18.443 1.00 0.00 ATOM 128 CD1 TYR 16 15.872 29.223 18.963 1.00 0.00 ATOM 129 CD2 TYR 16 13.508 29.309 18.550 1.00 0.00 ATOM 130 CE1 TYR 16 15.719 28.008 19.622 1.00 0.00 ATOM 131 CE2 TYR 16 13.346 28.097 19.207 1.00 0.00 ATOM 132 CZ TYR 16 14.461 27.459 19.738 1.00 0.00 ATOM 133 OH TYR 16 14.338 26.275 20.360 1.00 0.00 ATOM 134 O TYR 16 15.214 28.972 15.342 1.00 0.00 ATOM 135 C TYR 16 14.745 30.065 15.549 1.00 0.00 ATOM 136 N HIS 17 13.576 30.450 15.077 1.00 0.00 ATOM 137 CA HIS 17 12.730 29.589 14.233 1.00 0.00 ATOM 138 CB HIS 17 11.463 30.333 13.800 1.00 0.00 ATOM 139 CG HIS 17 10.501 30.586 14.919 1.00 0.00 ATOM 140 CD2 HIS 17 10.457 30.104 16.183 1.00 0.00 ATOM 141 ND1 HIS 17 9.421 31.436 14.794 1.00 0.00 ATOM 142 CE1 HIS 17 8.753 31.463 15.934 1.00 0.00 ATOM 143 NE2 HIS 17 9.361 30.664 16.793 1.00 0.00 ATOM 144 O HIS 17 13.638 27.881 12.789 1.00 0.00 ATOM 145 C HIS 17 13.481 29.082 12.988 1.00 0.00 ATOM 146 N PHE 18 14.121 30.019 12.276 1.00 0.00 ATOM 147 CA PHE 18 14.953 29.690 11.102 1.00 0.00 ATOM 148 CB PHE 18 15.499 30.967 10.459 1.00 0.00 ATOM 149 CG PHE 18 16.403 30.715 9.286 1.00 0.00 ATOM 150 CD1 PHE 18 15.878 30.396 8.043 1.00 0.00 ATOM 151 CD2 PHE 18 17.780 30.798 9.424 1.00 0.00 ATOM 152 CE1 PHE 18 16.710 30.165 6.963 1.00 0.00 ATOM 153 CE2 PHE 18 18.614 30.568 8.346 1.00 0.00 ATOM 154 CZ PHE 18 18.077 30.251 7.115 1.00 0.00 ATOM 155 O PHE 18 16.205 27.608 11.044 1.00 0.00 ATOM 156 C PHE 18 16.109 28.753 11.504 1.00 0.00 ATOM 157 N ASP 19 16.857 29.212 12.495 1.00 0.00 ATOM 158 CA ASP 19 18.033 28.493 13.000 1.00 0.00 ATOM 159 CB ASP 19 18.763 29.330 14.054 1.00 0.00 ATOM 160 CG ASP 19 20.070 28.724 14.544 1.00 0.00 ATOM 161 OD1 ASP 19 20.960 28.554 13.743 1.00 0.00 ATOM 162 OD2 ASP 19 20.228 28.582 15.732 1.00 0.00 ATOM 163 O ASP 19 18.288 26.109 13.250 1.00 0.00 ATOM 164 C ASP 19 17.683 27.123 13.598 1.00 0.00 ATOM 165 N ALA 20 16.574 27.060 14.305 1.00 0.00 ATOM 166 CA ALA 20 16.085 25.825 14.914 1.00 0.00 ATOM 167 CB ALA 20 14.997 26.157 15.931 1.00 0.00 ATOM 168 O ALA 20 15.935 23.625 14.002 1.00 0.00 ATOM 169 C ALA 20 15.617 24.804 13.873 1.00 0.00 ATOM 170 N ARG 21 15.015 25.298 12.792 1.00 0.00 ATOM 171 CA ARG 21 14.584 24.489 11.631 1.00 0.00 ATOM 172 CB ARG 21 13.747 25.294 10.649 1.00 0.00 ATOM 173 CG ARG 21 12.354 25.655 11.140 1.00 0.00 ATOM 174 CD ARG 21 11.575 26.504 10.203 1.00 0.00 ATOM 175 NE ARG 21 10.249 26.867 10.680 1.00 0.00 ATOM 176 CZ ARG 21 9.406 27.698 10.037 1.00 0.00 ATOM 177 NH1 ARG 21 9.758 28.284 8.914 1.00 0.00 ATOM 178 NH2 ARG 21 8.223 27.929 10.579 1.00 0.00 ATOM 179 O ARG 21 15.834 22.653 10.640 1.00 0.00 ATOM 180 C ARG 21 15.802 23.834 10.945 1.00 0.00 ATOM 181 N ASN 22 16.897 24.580 10.909 1.00 0.00 ATOM 182 CA ASN 22 18.164 24.104 10.339 1.00 0.00 ATOM 183 CB ASN 22 19.203 25.209 10.294 1.00 0.00 ATOM 184 CG ASN 22 18.937 26.249 9.241 1.00 0.00 ATOM 185 ND2 ASN 22 19.599 27.369 9.374 1.00 0.00 ATOM 186 OD1 ASN 22 18.197 26.012 8.280 1.00 0.00 ATOM 187 O ASN 22 19.142 21.921 10.432 1.00 0.00 ATOM 188 C ASN 22 18.765 22.894 11.071 1.00 0.00 ATOM 189 N PHE 23 18.736 22.948 12.406 1.00 0.00 ATOM 190 CA PHE 23 19.177 21.811 13.246 1.00 0.00 ATOM 191 CB PHE 23 19.261 22.232 14.714 1.00 0.00 ATOM 192 CG PHE 23 20.212 23.368 14.966 1.00 0.00 ATOM 193 CD1 PHE 23 21.145 23.734 14.007 1.00 0.00 ATOM 194 CD2 PHE 23 20.175 24.070 16.160 1.00 0.00 ATOM 195 CE1 PHE 23 22.021 24.779 14.237 1.00 0.00 ATOM 196 CE2 PHE 23 21.048 25.116 16.393 1.00 0.00 ATOM 197 CZ PHE 23 21.972 25.469 15.430 1.00 0.00 ATOM 198 O PHE 23 18.647 19.509 13.538 1.00 0.00 ATOM 199 C PHE 23 18.266 20.598 13.125 1.00 0.00 ATOM 200 N GLU 24 17.012 20.826 12.764 1.00 0.00 ATOM 201 CA GLU 24 16.073 19.703 12.604 1.00 0.00 ATOM 202 CB GLU 24 14.716 20.206 12.108 1.00 0.00 ATOM 203 CG GLU 24 13.915 20.981 13.144 1.00 0.00 ATOM 204 CD GLU 24 12.639 21.519 12.559 1.00 0.00 ATOM 205 OE1 GLU 24 12.432 21.353 11.382 1.00 0.00 ATOM 206 OE2 GLU 24 11.822 21.998 13.309 1.00 0.00 ATOM 207 O GLU 24 16.515 17.449 11.939 1.00 0.00 ATOM 208 C GLU 24 16.600 18.639 11.650 1.00 0.00 ATOM 209 N TRP 25 17.328 19.141 10.660 1.00 0.00 ATOM 210 CA TRP 25 18.008 18.292 9.677 1.00 0.00 ATOM 211 CB TRP 25 18.628 19.149 8.571 1.00 0.00 ATOM 212 CG TRP 25 17.616 19.766 7.654 1.00 0.00 ATOM 213 CD1 TRP 25 17.277 21.084 7.582 1.00 0.00 ATOM 214 CD2 TRP 25 16.815 19.091 6.677 1.00 0.00 ATOM 215 CE2 TRP 25 16.013 20.062 6.052 1.00 0.00 ATOM 216 CE3 TRP 25 16.697 17.755 6.271 1.00 0.00 ATOM 217 NE1 TRP 25 16.313 21.273 6.623 1.00 0.00 ATOM 218 CZ2 TRP 25 15.109 19.747 5.049 1.00 0.00 ATOM 219 CZ3 TRP 25 15.792 17.439 5.265 1.00 0.00 ATOM 220 CH2 TRP 25 15.021 18.406 4.670 1.00 0.00 ATOM 221 O TRP 25 19.328 16.280 9.939 1.00 0.00 ATOM 222 C TRP 25 19.098 17.418 10.335 1.00 0.00 ATOM 223 N GLU 26 19.708 17.931 11.410 1.00 0.00 ATOM 224 CA GLU 26 20.744 17.202 12.172 1.00 0.00 ATOM 225 CB GLU 26 21.466 18.157 13.129 1.00 0.00 ATOM 226 CG GLU 26 22.304 19.213 12.400 1.00 0.00 ATOM 227 CD GLU 26 23.508 18.611 11.663 1.00 0.00 ATOM 228 OE1 GLU 26 24.246 17.826 12.284 1.00 0.00 ATOM 229 OE2 GLU 26 23.693 18.979 10.491 1.00 0.00 ATOM 230 O GLU 26 20.784 14.903 12.887 1.00 0.00 ATOM 231 C GLU 26 20.212 15.988 12.955 1.00 0.00 ATOM 232 N ASN 27 18.983 16.096 13.455 1.00 0.00 ATOM 233 CA ASN 27 18.337 14.951 14.139 1.00 0.00 ATOM 234 CB ASN 27 17.006 15.348 14.751 1.00 0.00 ATOM 235 CG ASN 27 17.137 16.145 16.018 1.00 0.00 ATOM 236 ND2 ASN 27 16.604 17.340 15.992 1.00 0.00 ATOM 237 OD1 ASN 27 17.650 15.658 17.032 1.00 0.00 ATOM 238 O ASN 27 18.090 12.605 13.729 1.00 0.00 ATOM 239 C ASN 27 18.116 13.741 13.255 1.00 0.00 ATOM 240 N GLU 28 17.872 14.050 11.984 1.00 0.00 ATOM 241 CA GLU 28 17.651 13.041 10.952 1.00 0.00 ATOM 242 CB GLU 28 17.217 13.702 9.641 1.00 0.00 ATOM 243 CG GLU 28 15.857 14.383 9.701 1.00 0.00 ATOM 244 CD GLU 28 14.770 13.405 10.053 1.00 0.00 ATOM 245 OE1 GLU 28 14.646 12.415 9.372 1.00 0.00 ATOM 246 OE2 GLU 28 14.138 13.589 11.066 1.00 0.00 ATOM 247 O GLU 28 18.814 11.010 10.347 1.00 0.00 ATOM 248 C GLU 28 18.913 12.188 10.716 1.00 0.00 ATOM 249 N ASN 29 20.050 12.658 11.254 1.00 0.00 ATOM 250 CA ASN 29 21.309 11.888 11.225 1.00 0.00 ATOM 251 CB ASN 29 22.510 12.796 11.032 1.00 0.00 ATOM 252 CG ASN 29 22.559 13.458 9.684 1.00 0.00 ATOM 253 ND2 ASN 29 22.522 14.766 9.695 1.00 0.00 ATOM 254 OD1 ASN 29 22.701 12.796 8.650 1.00 0.00 ATOM 255 O ASN 29 22.582 10.428 12.685 1.00 0.00 ATOM 256 C ASN 29 21.529 11.033 12.473 1.00 0.00 ATOM 257 N GLY 30 20.390 10.746 13.106 1.00 0.00 ATOM 258 CA GLY 30 20.333 9.841 14.260 1.00 0.00 ATOM 259 O GLY 30 21.678 9.729 16.238 1.00 0.00 ATOM 260 C GLY 30 20.977 10.426 15.512 1.00 0.00 ATOM 261 N ALA 31 20.603 11.662 15.788 1.00 0.00 ATOM 262 CA ALA 31 21.342 12.456 16.758 1.00 0.00 ATOM 263 CB ALA 31 22.422 13.191 16.004 1.00 0.00 ATOM 264 O ALA 31 19.506 13.984 16.748 1.00 0.00 ATOM 265 C ALA 31 20.458 13.523 17.383 1.00 0.00 ATOM 266 N PRO 32 20.665 13.694 18.680 1.00 0.00 ATOM 267 CA PRO 32 19.969 14.713 19.431 1.00 0.00 ATOM 268 CB PRO 32 20.165 14.249 20.875 1.00 0.00 ATOM 269 CG PRO 32 21.459 13.505 20.935 1.00 0.00 ATOM 270 CD PRO 32 21.386 12.793 19.592 1.00 0.00 ATOM 271 O PRO 32 21.713 16.337 19.430 1.00 0.00 ATOM 272 C PRO 32 20.543 16.097 19.157 1.00 0.00 ATOM 273 N GLU 33 19.687 17.032 18.757 1.00 0.00 ATOM 274 CA GLU 33 20.216 18.381 18.570 1.00 0.00 ATOM 275 CB GLU 33 19.735 18.965 17.240 1.00 0.00 ATOM 276 CG GLU 33 20.325 18.294 16.008 1.00 0.00 ATOM 277 CD GLU 33 21.811 18.113 16.144 1.00 0.00 ATOM 278 OE1 GLU 33 22.490 19.084 16.376 1.00 0.00 ATOM 279 OE2 GLU 33 22.256 16.989 16.128 1.00 0.00 ATOM 280 O GLU 33 19.075 19.038 20.582 1.00 0.00 ATOM 281 C GLU 33 19.853 19.332 19.672 1.00 0.00 ATOM 282 N THR 34 20.695 20.340 19.686 1.00 0.00 ATOM 283 CA THR 34 20.632 21.359 20.740 1.00 0.00 ATOM 284 CB THR 34 21.947 21.447 21.535 1.00 0.00 ATOM 285 CG2 THR 34 21.867 22.494 22.643 1.00 0.00 ATOM 286 OG1 THR 34 22.206 20.184 22.136 1.00 0.00 ATOM 287 O THR 34 20.859 23.151 19.126 1.00 0.00 ATOM 288 C THR 34 20.236 22.679 20.077 1.00 0.00 ATOM 289 N LYS 35 19.149 23.216 20.602 1.00 0.00 ATOM 290 CA LYS 35 18.662 24.533 20.176 1.00 0.00 ATOM 291 CB LYS 35 17.167 24.474 19.858 1.00 0.00 ATOM 292 CG LYS 35 16.814 23.614 18.651 1.00 0.00 ATOM 293 CD LYS 35 15.322 23.322 18.598 1.00 0.00 ATOM 294 CE LYS 35 14.973 22.435 17.412 1.00 0.00 ATOM 295 NZ LYS 35 13.522 22.107 17.371 1.00 0.00 ATOM 296 O LYS 35 18.694 25.303 22.446 1.00 0.00 ATOM 297 C LYS 35 18.954 25.545 21.267 1.00 0.00 ATOM 298 N VAL 36 19.402 26.695 20.793 1.00 0.00 ATOM 299 CA VAL 36 19.758 27.813 21.680 1.00 0.00 ATOM 300 CB VAL 36 21.276 28.076 21.676 1.00 0.00 ATOM 301 CG1 VAL 36 21.761 28.384 20.267 1.00 0.00 ATOM 302 CG2 VAL 36 21.622 29.219 22.619 1.00 0.00 ATOM 303 O VAL 36 19.123 29.415 20.040 1.00 0.00 ATOM 304 C VAL 36 18.989 29.021 21.196 1.00 0.00 ATOM 305 N ASP 37 18.283 29.615 22.141 1.00 0.00 ATOM 306 CA ASP 37 17.561 30.850 21.863 1.00 0.00 ATOM 307 CB ASP 37 16.044 30.591 21.922 1.00 0.00 ATOM 308 CG ASP 37 15.201 31.766 21.403 1.00 0.00 ATOM 309 OD1 ASP 37 15.779 32.836 21.116 1.00 0.00 ATOM 310 OD2 ASP 37 13.968 31.600 21.385 1.00 0.00 ATOM 311 O ASP 37 18.005 31.605 24.103 1.00 0.00 ATOM 312 C ASP 37 17.950 31.894 22.902 1.00 0.00 ATOM 313 N VAL 38 18.333 33.051 22.401 1.00 0.00 ATOM 314 CA VAL 38 18.688 34.139 23.302 1.00 0.00 ATOM 315 CB VAL 38 20.146 34.593 23.093 1.00 0.00 ATOM 316 CG1 VAL 38 20.295 35.306 21.757 1.00 0.00 ATOM 317 CG2 VAL 38 20.589 35.500 24.231 1.00 0.00 ATOM 318 O VAL 38 17.284 35.540 21.983 1.00 0.00 ATOM 319 C VAL 38 17.748 35.316 23.090 1.00 0.00 ATOM 320 N ASN 39 17.431 35.982 24.176 1.00 0.00 ATOM 321 CA ASN 39 16.662 37.221 24.103 1.00 0.00 ATOM 322 CB ASN 39 15.177 36.963 24.283 1.00 0.00 ATOM 323 CG ASN 39 14.566 36.148 23.177 1.00 0.00 ATOM 324 ND2 ASN 39 14.252 34.917 23.490 1.00 0.00 ATOM 325 OD1 ASN 39 14.313 36.650 22.076 1.00 0.00 ATOM 326 O ASN 39 17.824 37.789 26.130 1.00 0.00 ATOM 327 C ASN 39 17.189 38.183 25.146 1.00 0.00 ATOM 328 N PHE 40 17.087 39.445 24.790 1.00 0.00 ATOM 329 CA PHE 40 17.549 40.493 25.691 1.00 0.00 ATOM 330 CB PHE 40 18.920 41.009 25.252 1.00 0.00 ATOM 331 CG PHE 40 18.921 41.647 23.893 1.00 0.00 ATOM 332 CD1 PHE 40 18.717 43.012 23.752 1.00 0.00 ATOM 333 CD2 PHE 40 19.123 40.886 22.752 1.00 0.00 ATOM 334 CE1 PHE 40 18.717 43.600 22.500 1.00 0.00 ATOM 335 CE2 PHE 40 19.124 41.471 21.501 1.00 0.00 ATOM 336 CZ PHE 40 18.920 42.831 21.376 1.00 0.00 ATOM 337 O PHE 40 16.064 42.133 24.738 1.00 0.00 ATOM 338 C PHE 40 16.555 41.646 25.760 1.00 0.00 ATOM 339 N GLN 41 16.455 42.173 26.969 1.00 0.00 ATOM 340 CA GLN 41 15.590 43.331 27.235 1.00 0.00 ATOM 341 CB GLN 41 14.182 42.871 27.623 1.00 0.00 ATOM 342 CG GLN 41 14.143 41.913 28.801 1.00 0.00 ATOM 343 CD GLN 41 12.749 41.376 29.065 1.00 0.00 ATOM 344 OE1 GLN 41 12.283 40.459 28.384 1.00 0.00 ATOM 345 NE2 GLN 41 12.072 41.948 30.054 1.00 0.00 ATOM 346 O GLN 41 16.591 43.681 29.393 1.00 0.00 ATOM 347 C GLN 41 16.197 44.180 28.342 1.00 0.00 ATOM 348 N LEU 42 16.147 45.485 28.109 1.00 0.00 ATOM 349 CA LEU 42 16.554 46.481 29.117 1.00 0.00 ATOM 350 CB LEU 42 17.512 47.505 28.494 1.00 0.00 ATOM 351 CG LEU 42 18.396 48.262 29.492 1.00 0.00 ATOM 352 CD1 LEU 42 19.518 47.359 29.986 1.00 0.00 ATOM 353 CD2 LEU 42 18.961 49.509 28.827 1.00 0.00 ATOM 354 O LEU 42 14.346 47.358 28.958 1.00 0.00 ATOM 355 C LEU 42 15.310 47.159 29.689 1.00 0.00 ATOM 356 N LEU 43 15.388 47.513 30.973 1.00 0.00 ATOM 357 CA LEU 43 14.330 48.178 31.750 1.00 0.00 ATOM 358 CB LEU 43 13.797 47.236 32.836 1.00 0.00 ATOM 359 CG LEU 43 12.728 47.840 33.756 1.00 0.00 ATOM 360 CD1 LEU 43 11.467 48.147 32.961 1.00 0.00 ATOM 361 CD2 LEU 43 12.427 46.870 34.890 1.00 0.00 ATOM 362 O LEU 43 15.816 49.466 33.136 1.00 0.00 ATOM 363 C LEU 43 14.854 49.475 32.366 1.00 0.00 ATOM 364 N GLN 44 14.147 50.560 32.079 1.00 0.00 ATOM 365 CA GLN 44 14.489 51.846 32.683 1.00 0.00 ATOM 366 CB GLN 44 14.125 52.995 31.738 1.00 0.00 ATOM 367 CG GLN 44 14.513 54.370 32.255 1.00 0.00 ATOM 368 CD GLN 44 14.221 55.469 31.249 1.00 0.00 ATOM 369 OE1 GLN 44 13.061 55.771 30.959 1.00 0.00 ATOM 370 NE2 GLN 44 15.275 56.070 30.709 1.00 0.00 ATOM 371 O GLN 44 12.533 51.810 34.057 1.00 0.00 ATOM 372 C GLN 44 13.751 51.979 34.018 1.00 0.00 ATOM 373 N HIS 45 14.532 52.273 35.039 1.00 0.00 ATOM 374 CA HIS 45 13.978 52.469 36.392 1.00 0.00 ATOM 375 CB HIS 45 14.867 51.796 37.422 1.00 0.00 ATOM 376 CG HIS 45 14.635 50.279 37.423 1.00 0.00 ATOM 377 CD2 HIS 45 15.172 49.396 36.606 1.00 0.00 ATOM 378 ND1 HIS 45 13.785 49.647 38.222 1.00 0.00 ATOM 379 CE1 HIS 45 13.789 48.359 37.912 1.00 0.00 ATOM 380 NE2 HIS 45 14.637 48.221 36.906 1.00 0.00 ATOM 381 O HIS 45 13.003 54.289 37.609 1.00 0.00 ATOM 382 C HIS 45 13.783 53.948 36.724 1.00 0.00 ATOM 383 N ASP 46 14.583 54.768 36.056 1.00 0.00 ATOM 384 CA ASP 46 14.578 56.224 36.189 1.00 0.00 ATOM 385 CB ASP 46 15.076 56.637 37.577 1.00 0.00 ATOM 386 CG ASP 46 16.528 56.275 37.858 1.00 0.00 ATOM 387 OD1 ASP 46 17.223 55.929 36.933 1.00 0.00 ATOM 388 OD2 ASP 46 16.971 56.496 38.960 1.00 0.00 ATOM 389 O ASP 46 16.074 56.023 34.314 1.00 0.00 ATOM 390 C ASP 46 15.454 56.781 35.074 1.00 0.00 ATOM 391 N GLN 47 15.533 58.088 34.997 1.00 0.00 ATOM 392 CA GLN 47 16.264 58.686 33.862 1.00 0.00 ATOM 393 CB GLN 47 15.358 59.646 33.087 1.00 0.00 ATOM 394 CG GLN 47 14.153 58.983 32.441 1.00 0.00 ATOM 395 CD GLN 47 13.235 59.983 31.765 1.00 0.00 ATOM 396 OE1 GLN 47 13.423 61.197 31.882 1.00 0.00 ATOM 397 NE2 GLN 47 12.232 59.478 31.056 1.00 0.00 ATOM 398 O GLN 47 18.246 60.024 33.467 1.00 0.00 ATOM 399 C GLN 47 17.535 59.446 34.283 1.00 0.00 ATOM 400 N GLU 48 17.960 59.060 35.484 1.00 0.00 ATOM 401 CA GLU 48 19.157 59.551 36.138 1.00 0.00 ATOM 402 CB GLU 48 18.894 59.790 37.626 1.00 0.00 ATOM 403 CG GLU 48 17.850 60.860 37.916 1.00 0.00 ATOM 404 CD GLU 48 17.614 61.005 39.394 1.00 0.00 ATOM 405 OE1 GLU 48 18.227 60.289 40.148 1.00 0.00 ATOM 406 OE2 GLU 48 16.906 61.908 39.776 1.00 0.00 ATOM 407 O GLU 48 21.441 59.061 35.947 1.00 0.00 ATOM 408 C GLU 48 20.326 58.570 35.957 1.00 0.00 ATOM 409 N ASN 49 20.101 57.249 35.739 1.00 0.00 ATOM 410 CA ASN 49 21.136 56.182 35.567 1.00 0.00 ATOM 411 CB ASN 49 22.484 56.503 36.206 1.00 0.00 ATOM 412 CG ASN 49 22.342 56.671 37.707 1.00 0.00 ATOM 413 ND2 ASN 49 23.490 56.557 38.287 1.00 0.00 ATOM 414 OD1 ASN 49 21.305 56.720 38.345 1.00 0.00 ATOM 415 O ASN 49 21.842 53.880 35.669 1.00 0.00 ATOM 416 C ASN 49 20.946 54.693 35.939 1.00 0.00 ATOM 417 N GLN 50 19.920 54.348 36.690 1.00 0.00 ATOM 418 CA GLN 50 19.726 52.946 37.123 1.00 0.00 ATOM 419 CB GLN 50 19.007 52.897 38.474 1.00 0.00 ATOM 420 CG GLN 50 18.810 51.494 39.024 1.00 0.00 ATOM 421 CD GLN 50 18.129 51.495 40.379 1.00 0.00 ATOM 422 OE1 GLN 50 17.839 52.554 40.943 1.00 0.00 ATOM 423 NE2 GLN 50 17.874 50.305 40.912 1.00 0.00 ATOM 424 O GLN 50 17.846 52.570 35.652 1.00 0.00 ATOM 425 C GLN 50 18.927 52.165 36.074 1.00 0.00 ATOM 426 N VAL 51 19.548 51.097 35.580 1.00 0.00 ATOM 427 CA VAL 51 18.964 50.265 34.519 1.00 0.00 ATOM 428 CB VAL 51 19.653 50.467 33.151 1.00 0.00 ATOM 429 CG1 VAL 51 19.422 51.881 32.600 1.00 0.00 ATOM 430 CG2 VAL 51 21.142 50.132 33.148 1.00 0.00 ATOM 431 O VAL 51 19.971 48.293 35.476 1.00 0.00 ATOM 432 C VAL 51 18.989 48.787 34.902 1.00 0.00 ATOM 433 N THR 52 17.957 48.093 34.459 1.00 0.00 ATOM 434 CA THR 52 17.931 46.616 34.570 1.00 0.00 ATOM 435 CB THR 52 16.606 46.098 35.143 1.00 0.00 ATOM 436 CG2 THR 52 16.477 44.576 35.192 1.00 0.00 ATOM 437 OG1 THR 52 16.560 46.533 36.490 1.00 0.00 ATOM 438 O THR 52 17.512 46.401 32.229 1.00 0.00 ATOM 439 C THR 52 18.172 46.041 33.195 1.00 0.00 ATOM 440 N SER 53 19.005 45.008 33.165 1.00 0.00 ATOM 441 CA SER 53 19.227 44.268 31.929 1.00 0.00 ATOM 442 CB SER 53 20.654 44.459 31.456 1.00 0.00 ATOM 443 OG SER 53 21.587 44.000 32.396 1.00 0.00 ATOM 444 O SER 53 19.264 42.271 33.250 1.00 0.00 ATOM 445 C SER 53 18.897 42.804 32.212 1.00 0.00 ATOM 446 N LEU 54 18.066 42.250 31.346 1.00 0.00 ATOM 447 CA LEU 54 17.643 40.847 31.483 1.00 0.00 ATOM 448 CB LEU 54 16.125 40.769 31.688 1.00 0.00 ATOM 449 CG LEU 54 15.597 39.401 32.139 1.00 0.00 ATOM 450 CD1 LEU 54 14.137 39.516 32.554 1.00 0.00 ATOM 451 CD2 LEU 54 15.758 38.396 31.008 1.00 0.00 ATOM 452 O LEU 54 17.750 40.438 29.110 1.00 0.00 ATOM 453 C LEU 54 18.083 40.076 30.244 1.00 0.00 ATOM 454 N ILE 55 18.796 39.010 30.530 1.00 0.00 ATOM 455 CA ILE 55 19.234 38.082 29.486 1.00 0.00 ATOM 456 CB ILE 55 20.751 37.828 29.557 1.00 0.00 ATOM 457 CG1 ILE 55 21.521 39.136 29.357 1.00 0.00 ATOM 458 CG2 ILE 55 21.167 36.799 28.517 1.00 0.00 ATOM 459 CD1 ILE 55 23.004 39.018 29.626 1.00 0.00 ATOM 460 O ILE 55 18.499 36.157 30.720 1.00 0.00 ATOM 461 C ILE 55 18.455 36.794 29.666 1.00 0.00 ATOM 462 N VAL 56 17.754 36.432 28.602 1.00 0.00 ATOM 463 CA VAL 56 17.008 35.168 28.611 1.00 0.00 ATOM 464 CB VAL 56 15.560 35.362 28.124 1.00 0.00 ATOM 465 CG1 VAL 56 14.781 34.061 28.236 1.00 0.00 ATOM 466 CG2 VAL 56 14.874 36.463 28.919 1.00 0.00 ATOM 467 O VAL 56 18.044 34.465 26.547 1.00 0.00 ATOM 468 C VAL 56 17.766 34.187 27.715 1.00 0.00 ATOM 469 N ILE 57 18.113 33.065 28.332 1.00 0.00 ATOM 470 CA ILE 57 18.782 31.972 27.604 1.00 0.00 ATOM 471 CB ILE 57 20.166 31.658 28.204 1.00 0.00 ATOM 472 CG1 ILE 57 21.024 32.924 28.256 1.00 0.00 ATOM 473 CG2 ILE 57 20.861 30.572 27.396 1.00 0.00 ATOM 474 CD1 ILE 57 22.321 32.752 29.013 1.00 0.00 ATOM 475 O ILE 57 17.483 30.299 28.760 1.00 0.00 ATOM 476 C ILE 57 17.849 30.754 27.675 1.00 0.00 ATOM 477 N LEU 58 17.459 30.308 26.491 1.00 0.00 ATOM 478 CA LEU 58 16.593 29.123 26.356 1.00 0.00 ATOM 479 CB LEU 58 15.341 29.452 25.516 1.00 0.00 ATOM 480 CG LEU 58 14.486 30.590 26.068 1.00 0.00 ATOM 481 CD1 LEU 58 13.377 30.932 25.076 1.00 0.00 ATOM 482 CD2 LEU 58 13.831 30.229 27.391 1.00 0.00 ATOM 483 O LEU 58 17.956 28.206 24.597 1.00 0.00 ATOM 484 C LEU 58 17.365 28.002 25.657 1.00 0.00 ATOM 485 N SER 59 17.370 26.845 26.307 1.00 0.00 ATOM 486 CA SER 59 18.061 25.642 25.816 1.00 0.00 ATOM 487 CB SER 59 19.052 25.095 26.835 1.00 0.00 ATOM 488 OG SER 59 19.935 24.155 26.225 1.00 0.00 ATOM 489 O SER 59 16.373 24.136 26.606 1.00 0.00 ATOM 490 C SER 59 17.071 24.503 25.666 1.00 0.00 ATOM 491 N PHE 60 17.146 23.881 24.495 1.00 0.00 ATOM 492 CA PHE 60 16.309 22.720 24.167 1.00 0.00 ATOM 493 CB PHE 60 15.242 23.104 23.140 1.00 0.00 ATOM 494 CG PHE 60 14.303 24.177 23.612 1.00 0.00 ATOM 495 CD1 PHE 60 14.564 25.513 23.347 1.00 0.00 ATOM 496 CD2 PHE 60 13.158 23.853 24.323 1.00 0.00 ATOM 497 CE1 PHE 60 13.701 26.501 23.782 1.00 0.00 ATOM 498 CE2 PHE 60 12.292 24.838 24.757 1.00 0.00 ATOM 499 CZ PHE 60 12.565 26.164 24.486 1.00 0.00 ATOM 500 O PHE 60 17.851 21.742 22.626 1.00 0.00 ATOM 501 C PHE 60 17.177 21.591 23.649 1.00 0.00 ATOM 502 N MET 61 17.075 20.456 24.322 1.00 0.00 ATOM 503 CA MET 61 17.866 19.290 23.893 1.00 0.00 ATOM 504 CB MET 61 18.863 18.899 24.981 1.00 0.00 ATOM 505 CG MET 61 19.853 17.819 24.569 1.00 0.00 ATOM 506 SD MET 61 21.049 17.442 25.866 1.00 0.00 ATOM 507 CE MET 61 21.963 16.103 25.105 1.00 0.00 ATOM 508 O MET 61 15.983 17.904 24.308 1.00 0.00 ATOM 509 C MET 61 16.925 18.149 23.568 1.00 0.00 ATOM 510 N ILE 62 17.043 17.638 22.352 1.00 0.00 ATOM 511 CA ILE 62 16.114 16.590 21.885 1.00 0.00 ATOM 512 CB ILE 62 15.231 17.092 20.728 1.00 0.00 ATOM 513 CG1 ILE 62 14.043 16.151 20.516 1.00 0.00 ATOM 514 CG2 ILE 62 16.048 17.220 19.452 1.00 0.00 ATOM 515 CD1 ILE 62 12.874 16.792 19.802 1.00 0.00 ATOM 516 O ILE 62 17.931 15.682 20.850 1.00 0.00 ATOM 517 C ILE 62 16.930 15.396 21.455 1.00 0.00 ATOM 518 N VAL 63 16.386 14.194 21.569 1.00 0.00 ATOM 519 CA VAL 63 16.969 12.947 21.036 1.00 0.00 ATOM 520 CB VAL 63 17.187 11.898 22.141 1.00 0.00 ATOM 521 CG1 VAL 63 17.542 10.501 21.662 1.00 0.00 ATOM 522 CG2 VAL 63 18.421 12.210 22.981 1.00 0.00 ATOM 523 O VAL 63 14.946 11.850 20.364 1.00 0.00 ATOM 524 C VAL 63 15.926 12.520 20.018 1.00 0.00 ATOM 525 N PHE 64 16.079 13.104 18.823 1.00 0.00 ATOM 526 CA PHE 64 15.181 12.909 17.668 1.00 0.00 ATOM 527 CB PHE 64 14.816 11.412 17.510 1.00 0.00 ATOM 528 CG PHE 64 16.043 10.542 17.382 1.00 0.00 ATOM 529 CD1 PHE 64 16.724 9.951 18.432 1.00 0.00 ATOM 530 CD2 PHE 64 16.448 10.352 16.105 1.00 0.00 ATOM 531 CE1 PHE 64 17.830 9.152 18.193 1.00 0.00 ATOM 532 CE2 PHE 64 17.548 9.565 15.862 1.00 0.00 ATOM 533 CZ PHE 64 18.249 8.946 16.890 1.00 0.00 ATOM 534 O PHE 64 13.960 14.989 17.879 1.00 0.00 ATOM 535 C PHE 64 13.900 13.755 17.848 1.00 0.00 ATOM 536 N ASP 65 12.790 13.086 18.088 1.00 0.00 ATOM 537 CA ASP 65 11.477 13.697 18.382 1.00 0.00 ATOM 538 CB ASP 65 10.361 12.949 17.649 1.00 0.00 ATOM 539 CG ASP 65 10.463 12.997 16.131 1.00 0.00 ATOM 540 OD1 ASP 65 10.654 14.067 15.601 1.00 0.00 ATOM 541 OD2 ASP 65 10.507 11.954 15.524 1.00 0.00 ATOM 542 O ASP 65 10.196 14.318 20.323 1.00 0.00 ATOM 543 C ASP 65 11.176 13.723 19.892 1.00 0.00 ATOM 544 N LYS 66 12.033 13.078 20.682 1.00 0.00 ATOM 545 CA LYS 66 11.835 12.947 22.132 1.00 0.00 ATOM 546 CB LYS 66 12.195 11.535 22.597 1.00 0.00 ATOM 547 CG LYS 66 11.954 11.279 24.079 1.00 0.00 ATOM 548 CD LYS 66 12.340 9.859 24.465 1.00 0.00 ATOM 549 CE LYS 66 12.076 9.595 25.940 1.00 0.00 ATOM 550 NZ LYS 66 12.445 8.207 26.332 1.00 0.00 ATOM 551 O LYS 66 13.911 13.983 22.711 1.00 0.00 ATOM 552 C LYS 66 12.689 14.008 22.839 1.00 0.00 ATOM 553 N PHE 67 12.039 14.986 23.461 1.00 0.00 ATOM 554 CA PHE 67 12.762 16.073 24.163 1.00 0.00 ATOM 555 CB PHE 67 11.777 17.132 24.664 1.00 0.00 ATOM 556 CG PHE 67 11.165 17.957 23.567 1.00 0.00 ATOM 557 CD1 PHE 67 9.868 17.715 23.140 1.00 0.00 ATOM 558 CD2 PHE 67 11.884 18.975 22.961 1.00 0.00 ATOM 559 CE1 PHE 67 9.303 18.473 22.132 1.00 0.00 ATOM 560 CE2 PHE 67 11.323 19.736 21.954 1.00 0.00 ATOM 561 CZ PHE 67 10.030 19.484 21.539 1.00 0.00 ATOM 562 O PHE 67 13.032 14.856 26.173 1.00 0.00 ATOM 563 C PHE 67 13.582 15.520 25.327 1.00 0.00 ATOM 564 N VAL 68 14.881 15.782 25.318 1.00 0.00 ATOM 565 CA VAL 68 15.792 15.418 26.419 1.00 0.00 ATOM 566 CB VAL 68 17.273 15.545 26.015 1.00 0.00 ATOM 567 CG1 VAL 68 18.264 15.106 27.104 1.00 0.00 ATOM 568 CG2 VAL 68 17.516 14.655 24.825 1.00 0.00 ATOM 569 O VAL 68 15.323 15.805 28.757 1.00 0.00 ATOM 570 C VAL 68 15.536 16.292 27.640 1.00 0.00 ATOM 571 N ILE 69 15.705 17.587 27.421 1.00 0.00 ATOM 572 CA ILE 69 15.573 18.575 28.503 1.00 0.00 ATOM 573 CB ILE 69 16.826 18.604 29.397 1.00 0.00 ATOM 574 CG1 ILE 69 16.569 19.449 30.648 1.00 0.00 ATOM 575 CG2 ILE 69 18.019 19.144 28.622 1.00 0.00 ATOM 576 CD1 ILE 69 17.604 19.261 31.734 1.00 0.00 ATOM 577 O ILE 69 15.756 20.292 26.815 1.00 0.00 ATOM 578 C ILE 69 15.322 19.972 27.929 1.00 0.00 ATOM 579 N SER 70 14.625 20.754 28.718 1.00 0.00 ATOM 580 CA SER 70 14.437 22.178 28.405 1.00 0.00 ATOM 581 CB SER 70 12.957 22.469 28.219 1.00 0.00 ATOM 582 OG SER 70 12.703 23.843 27.979 1.00 0.00 ATOM 583 O SER 70 14.718 22.544 30.693 1.00 0.00 ATOM 584 C SER 70 14.957 22.983 29.589 1.00 0.00 ATOM 585 N GLY 71 15.797 23.956 29.307 1.00 0.00 ATOM 586 CA GLY 71 16.402 24.834 30.337 1.00 0.00 ATOM 587 O GLY 71 16.131 26.680 28.821 1.00 0.00 ATOM 588 C GLY 71 16.078 26.274 29.988 1.00 0.00 ATOM 589 N THR 72 15.602 26.982 30.987 1.00 0.00 ATOM 590 CA THR 72 15.240 28.388 30.778 1.00 0.00 ATOM 591 CB THR 72 13.716 28.567 30.653 1.00 0.00 ATOM 592 CG2 THR 72 13.023 28.149 31.942 1.00 0.00 ATOM 593 OG1 THR 72 13.414 29.940 30.376 1.00 0.00 ATOM 594 O THR 72 15.593 28.849 33.093 1.00 0.00 ATOM 595 C THR 72 15.780 29.208 31.944 1.00 0.00 ATOM 596 N ILE 73 16.473 30.271 31.583 1.00 0.00 ATOM 597 CA ILE 73 17.079 31.157 32.581 1.00 0.00 ATOM 598 CB ILE 73 18.578 30.859 32.766 1.00 0.00 ATOM 599 CG1 ILE 73 19.166 31.743 33.870 1.00 0.00 ATOM 600 CG2 ILE 73 19.327 31.068 31.459 1.00 0.00 ATOM 601 CD1 ILE 73 20.545 31.319 34.321 1.00 0.00 ATOM 602 O ILE 73 17.173 33.023 31.050 1.00 0.00 ATOM 603 C ILE 73 16.896 32.628 32.180 1.00 0.00 ATOM 604 N SER 74 16.476 33.381 33.178 1.00 0.00 ATOM 605 CA SER 74 16.362 34.826 33.078 1.00 0.00 ATOM 606 CB SER 74 14.942 35.260 33.384 1.00 0.00 ATOM 607 OG SER 74 14.023 34.744 32.461 1.00 0.00 ATOM 608 O SER 74 17.257 35.292 35.268 1.00 0.00 ATOM 609 C SER 74 17.384 35.403 34.051 1.00 0.00 ATOM 610 N GLN 75 18.516 35.768 33.479 1.00 0.00 ATOM 611 CA GLN 75 19.605 36.339 34.284 1.00 0.00 ATOM 612 CB GLN 75 20.942 35.844 33.753 1.00 0.00 ATOM 613 CG GLN 75 22.120 36.339 34.588 1.00 0.00 ATOM 614 CD GLN 75 23.444 35.776 34.074 1.00 0.00 ATOM 615 OE1 GLN 75 23.592 34.951 33.204 1.00 0.00 ATOM 616 NE2 GLN 75 24.500 36.191 34.691 1.00 0.00 ATOM 617 O GLN 75 19.607 38.447 33.125 1.00 0.00 ATOM 618 C GLN 75 19.515 37.850 34.202 1.00 0.00 ATOM 619 N VAL 76 19.262 38.428 35.356 1.00 0.00 ATOM 620 CA VAL 76 19.102 39.886 35.471 1.00 0.00 ATOM 621 CB VAL 76 17.850 40.255 36.290 1.00 0.00 ATOM 622 CG1 VAL 76 16.596 39.712 35.620 1.00 0.00 ATOM 623 CG2 VAL 76 17.967 39.722 37.710 1.00 0.00 ATOM 624 O VAL 76 21.104 39.889 36.831 1.00 0.00 ATOM 625 C VAL 76 20.327 40.514 36.115 1.00 0.00 ATOM 626 N ASN 77 20.324 41.832 35.996 1.00 0.00 ATOM 627 CA ASN 77 21.327 42.669 36.642 1.00 0.00 ATOM 628 CB ASN 77 22.645 42.637 35.890 1.00 0.00 ATOM 629 CG ASN 77 23.801 43.199 36.670 1.00 0.00 ATOM 630 ND2 ASN 77 24.768 43.714 35.955 1.00 0.00 ATOM 631 OD1 ASN 77 23.784 43.232 37.906 1.00 0.00 ATOM 632 O ASN 77 20.000 44.536 35.919 1.00 0.00 ATOM 633 C ASN 77 20.790 44.090 36.761 1.00 0.00 ATOM 634 N HIS 78 21.231 44.725 37.832 1.00 0.00 ATOM 635 CA HIS 78 20.952 46.142 38.099 1.00 0.00 ATOM 636 CB HIS 78 20.316 46.316 39.482 1.00 0.00 ATOM 637 CG HIS 78 18.995 45.626 39.628 1.00 0.00 ATOM 638 CD2 HIS 78 18.673 44.420 40.151 1.00 0.00 ATOM 639 ND1 HIS 78 17.809 46.190 39.205 1.00 0.00 ATOM 640 CE1 HIS 78 16.814 45.358 39.461 1.00 0.00 ATOM 641 NE2 HIS 78 17.312 44.278 40.035 1.00 0.00 ATOM 642 O HIS 78 23.214 46.678 38.712 1.00 0.00 ATOM 643 C HIS 78 22.252 46.929 37.985 1.00 0.00 ATOM 644 N ILE 79 22.225 47.880 37.064 1.00 0.00 ATOM 645 CA ILE 79 23.397 48.716 36.766 1.00 0.00 ATOM 646 CB ILE 79 23.801 48.617 35.284 1.00 0.00 ATOM 647 CG1 ILE 79 24.172 47.174 34.928 1.00 0.00 ATOM 648 CG2 ILE 79 24.957 49.558 34.984 1.00 0.00 ATOM 649 CD1 ILE 79 24.363 46.941 33.446 1.00 0.00 ATOM 650 O ILE 79 22.124 50.774 36.646 1.00 0.00 ATOM 651 C ILE 79 23.073 50.150 37.134 1.00 0.00 ATOM 652 N ASP 80 24.019 50.656 37.890 1.00 0.00 ATOM 653 CA ASP 80 23.988 52.060 38.293 1.00 0.00 ATOM 654 CB ASP 80 23.142 52.237 39.556 1.00 0.00 ATOM 655 CG ASP 80 22.736 53.676 39.844 1.00 0.00 ATOM 656 OD1 ASP 80 23.607 54.485 40.060 1.00 0.00 ATOM 657 OD2 ASP 80 21.579 53.988 39.692 1.00 0.00 ATOM 658 O ASP 80 26.234 51.785 39.052 1.00 0.00 ATOM 659 C ASP 80 25.421 52.533 38.509 1.00 0.00 ATOM 660 N GLY 81 25.658 53.779 38.116 1.00 0.00 ATOM 661 CA GLY 81 26.913 54.477 38.458 1.00 0.00 ATOM 662 O GLY 81 28.301 54.374 40.446 1.00 0.00 ATOM 663 C GLY 81 27.199 54.605 39.967 1.00 0.00 ATOM 664 N ARG 82 26.213 54.959 40.757 1.00 0.00 ATOM 665 CA ARG 82 26.261 54.967 42.232 1.00 0.00 ATOM 666 CB ARG 82 24.937 55.398 42.847 1.00 0.00 ATOM 667 CG ARG 82 24.945 55.516 44.363 1.00 0.00 ATOM 668 CD ARG 82 23.627 55.856 44.957 1.00 0.00 ATOM 669 NE ARG 82 22.606 54.837 44.783 1.00 0.00 ATOM 670 CZ ARG 82 22.521 53.706 45.510 1.00 0.00 ATOM 671 NH1 ARG 82 23.413 53.428 46.434 1.00 0.00 ATOM 672 NH2 ARG 82 21.529 52.871 45.253 1.00 0.00 ATOM 673 O ARG 82 27.641 53.573 43.565 1.00 0.00 ATOM 674 C ARG 82 26.716 53.612 42.769 1.00 0.00 ATOM 675 N ILE 83 26.169 52.525 42.246 1.00 0.00 ATOM 676 CA ILE 83 26.618 51.153 42.597 1.00 0.00 ATOM 677 CB ILE 83 25.861 50.085 41.786 1.00 0.00 ATOM 678 CG1 ILE 83 24.390 50.038 42.206 1.00 0.00 ATOM 679 CG2 ILE 83 26.512 48.722 41.963 1.00 0.00 ATOM 680 CD1 ILE 83 23.520 49.209 41.291 1.00 0.00 ATOM 681 O ILE 83 28.786 50.156 43.050 1.00 0.00 ATOM 682 C ILE 83 28.129 50.947 42.376 1.00 0.00 ATOM 683 N VAL 84 28.638 51.679 41.397 1.00 0.00 ATOM 684 CA VAL 84 30.035 51.549 41.003 1.00 0.00 ATOM 685 CB VAL 84 30.212 51.370 39.481 1.00 0.00 ATOM 686 CG1 VAL 84 29.547 50.081 39.026 1.00 0.00 ATOM 687 CG2 VAL 84 29.777 52.580 38.655 1.00 0.00 ATOM 688 O VAL 84 32.088 52.584 41.015 1.00 0.00 ATOM 689 C VAL 84 30.958 52.681 41.459 1.00 0.00 ATOM 690 N ASN 85 30.509 53.653 42.277 1.00 0.00 ATOM 691 CA ASN 85 31.325 54.798 42.777 1.00 0.00 ATOM 692 CB ASN 85 32.804 54.583 42.511 1.00 0.00 ATOM 693 CG ASN 85 33.427 53.523 43.376 1.00 0.00 ATOM 694 ND2 ASN 85 34.583 53.068 42.966 1.00 0.00 ATOM 695 OD1 ASN 85 32.902 53.173 44.440 1.00 0.00 ATOM 696 O ASN 85 31.670 57.173 42.679 1.00 0.00 ATOM 697 C ASN 85 31.025 56.213 42.282 1.00 0.00 ATOM 698 N GLU 86 30.097 56.310 41.364 1.00 0.00 ATOM 699 CA GLU 86 29.757 57.597 40.770 1.00 0.00 ATOM 700 CB GLU 86 29.064 57.398 39.421 1.00 0.00 ATOM 701 CG GLU 86 29.946 56.781 38.345 1.00 0.00 ATOM 702 CD GLU 86 31.098 57.684 38.001 1.00 0.00 ATOM 703 OE1 GLU 86 30.859 58.817 37.658 1.00 0.00 ATOM 704 OE2 GLU 86 32.221 57.277 38.187 1.00 0.00 ATOM 705 O GLU 86 28.241 57.863 42.591 1.00 0.00 ATOM 706 C GLU 86 28.865 58.431 41.692 1.00 0.00 ATOM 707 N PRO 87 28.697 59.738 41.460 1.00 0.00 ATOM 708 CA PRO 87 27.819 60.554 42.315 1.00 0.00 ATOM 709 CB PRO 87 27.740 61.894 41.572 1.00 0.00 ATOM 710 CG PRO 87 29.104 61.989 40.905 1.00 0.00 ATOM 711 CD PRO 87 29.342 60.564 40.431 1.00 0.00 ATOM 712 O PRO 87 25.999 59.164 41.553 1.00 0.00 ATOM 713 C PRO 87 26.448 59.882 42.449 1.00 0.00 ATOM 714 N SER 88 25.895 59.965 43.651 1.00 0.00 ATOM 715 CA SER 88 24.529 59.519 43.945 1.00 0.00 ATOM 716 CB SER 88 24.075 60.074 45.281 1.00 0.00 ATOM 717 OG SER 88 23.968 61.472 45.261 1.00 0.00 ATOM 718 O SER 88 22.489 59.249 42.650 1.00 0.00 ATOM 719 C SER 88 23.506 59.915 42.854 1.00 0.00 ATOM 720 N GLU 89 23.765 60.993 42.144 1.00 0.00 ATOM 721 CA GLU 89 22.897 61.427 41.034 1.00 0.00 ATOM 722 CB GLU 89 21.983 62.569 41.484 1.00 0.00 ATOM 723 CG GLU 89 20.932 62.975 40.460 1.00 0.00 ATOM 724 CD GLU 89 20.066 64.088 40.978 1.00 0.00 ATOM 725 OE1 GLU 89 20.292 64.529 42.080 1.00 0.00 ATOM 726 OE2 GLU 89 19.250 64.576 40.232 1.00 0.00 ATOM 727 O GLU 89 24.205 62.986 39.739 1.00 0.00 ATOM 728 C GLU 89 23.756 61.850 39.848 1.00 0.00 ATOM 729 N LEU 90 24.080 60.842 39.055 1.00 0.00 ATOM 730 CA LEU 90 24.857 61.026 37.815 1.00 0.00 ATOM 731 CB LEU 90 25.103 59.672 37.138 1.00 0.00 ATOM 732 CG LEU 90 26.104 59.696 35.976 1.00 0.00 ATOM 733 CD1 LEU 90 27.474 60.131 36.476 1.00 0.00 ATOM 734 CD2 LEU 90 26.176 58.316 35.339 1.00 0.00 ATOM 735 O LEU 90 23.007 62.229 36.855 1.00 0.00 ATOM 736 C LEU 90 24.204 61.966 36.812 1.00 0.00 ATOM 737 N ASN 91 25.015 62.425 35.869 1.00 0.00 ATOM 738 CA ASN 91 24.536 63.247 34.747 1.00 0.00 ATOM 739 CB ASN 91 25.660 64.069 34.141 1.00 0.00 ATOM 740 CG ASN 91 26.231 65.096 35.080 1.00 0.00 ATOM 741 ND2 ASN 91 27.518 65.008 35.298 1.00 0.00 ATOM 742 OD1 ASN 91 25.529 66.003 35.542 1.00 0.00 ATOM 743 O ASN 91 24.404 61.366 33.240 1.00 0.00 ATOM 744 C ASN 91 23.874 62.384 33.670 1.00 0.00 ATOM 745 N GLN 92 22.807 62.944 33.118 1.00 0.00 ATOM 746 CA GLN 92 22.013 62.256 32.069 1.00 0.00 ATOM 747 CB GLN 92 20.827 63.086 31.632 1.00 0.00 ATOM 748 CG GLN 92 19.758 63.166 32.715 1.00 0.00 ATOM 749 CD GLN 92 18.647 64.088 32.254 1.00 0.00 ATOM 750 OE1 GLN 92 18.635 64.759 31.235 1.00 0.00 ATOM 751 NE2 GLN 92 17.636 64.127 33.055 1.00 0.00 ATOM 752 O GLN 92 22.680 60.860 30.257 1.00 0.00 ATOM 753 C GLN 92 22.791 61.968 30.783 1.00 0.00 ATOM 754 N GLU 93 23.620 62.918 30.366 1.00 0.00 ATOM 755 CA GLU 93 24.426 62.719 29.149 1.00 0.00 ATOM 756 CB GLU 93 25.192 63.997 28.799 1.00 0.00 ATOM 757 CG GLU 93 24.318 65.136 28.296 1.00 0.00 ATOM 758 CD GLU 93 25.119 66.393 28.095 1.00 0.00 ATOM 759 OE1 GLU 93 26.285 66.387 28.408 1.00 0.00 ATOM 760 OE2 GLU 93 24.597 67.322 27.525 1.00 0.00 ATOM 761 O GLU 93 25.526 60.700 28.433 1.00 0.00 ATOM 762 C GLU 93 25.404 61.550 29.306 1.00 0.00 ATOM 763 N GLU 94 26.028 61.501 30.474 1.00 0.00 ATOM 764 CA GLU 94 26.939 60.392 30.815 1.00 0.00 ATOM 765 CB GLU 94 27.689 60.694 32.115 1.00 0.00 ATOM 766 CG GLU 94 28.737 61.791 31.995 1.00 0.00 ATOM 767 CD GLU 94 29.417 62.043 33.312 1.00 0.00 ATOM 768 OE1 GLU 94 29.929 61.110 33.883 1.00 0.00 ATOM 769 OE2 GLU 94 29.524 63.184 33.695 1.00 0.00 ATOM 770 O GLU 94 26.594 58.042 30.371 1.00 0.00 ATOM 771 C GLU 94 26.201 59.048 30.950 1.00 0.00 ATOM 772 N VAL 95 24.968 59.135 31.441 1.00 0.00 ATOM 773 CA VAL 95 24.099 57.942 31.536 1.00 0.00 ATOM 774 CB VAL 95 22.792 58.252 32.289 1.00 0.00 ATOM 775 CG1 VAL 95 21.836 57.072 32.205 1.00 0.00 ATOM 776 CG2 VAL 95 23.083 58.599 33.741 1.00 0.00 ATOM 777 O VAL 95 23.759 56.190 29.941 1.00 0.00 ATOM 778 C VAL 95 23.762 57.397 30.148 1.00 0.00 ATOM 779 N GLU 96 23.547 58.308 29.206 1.00 0.00 ATOM 780 CA GLU 96 23.251 57.918 27.820 1.00 0.00 ATOM 781 CB GLU 96 22.810 59.134 27.004 1.00 0.00 ATOM 782 CG GLU 96 21.438 59.679 27.378 1.00 0.00 ATOM 783 CD GLU 96 21.128 60.942 26.625 1.00 0.00 ATOM 784 OE1 GLU 96 21.978 61.405 25.901 1.00 0.00 ATOM 785 OE2 GLU 96 20.004 61.384 26.683 1.00 0.00 ATOM 786 O GLU 96 24.351 56.204 26.527 1.00 0.00 ATOM 787 C GLU 96 24.459 57.257 27.163 1.00 0.00 ATOM 788 N THR 97 25.625 57.842 27.445 1.00 0.00 ATOM 789 CA THR 97 26.887 57.277 26.957 1.00 0.00 ATOM 790 CB THR 97 28.084 58.179 27.312 1.00 0.00 ATOM 791 CG2 THR 97 29.385 57.546 26.843 1.00 0.00 ATOM 792 OG1 THR 97 27.925 59.458 26.683 1.00 0.00 ATOM 793 O THR 97 27.411 55.166 26.710 1.00 0.00 ATOM 794 C THR 97 27.047 55.927 27.555 1.00 0.00 ATOM 795 N LEU 98 26.844 55.696 28.850 1.00 0.00 ATOM 796 CA LEU 98 26.958 54.383 29.494 1.00 0.00 ATOM 797 CB LEU 98 26.824 54.525 31.016 1.00 0.00 ATOM 798 CG LEU 98 27.992 55.238 31.710 1.00 0.00 ATOM 799 CD1 LEU 98 27.661 55.473 33.178 1.00 0.00 ATOM 800 CD2 LEU 98 29.255 54.401 31.568 1.00 0.00 ATOM 801 O LEU 98 26.218 52.186 28.809 1.00 0.00 ATOM 802 C LEU 98 25.923 53.374 28.985 1.00 0.00 ATOM 803 N ALA 99 24.724 53.873 28.730 1.00 0.00 ATOM 804 CA ALA 99 23.619 53.078 28.146 1.00 0.00 ATOM 805 CB ALA 99 22.390 53.976 28.001 1.00 0.00 ATOM 806 O ALA 99 23.686 51.372 26.482 1.00 0.00 ATOM 807 C ALA 99 24.009 52.513 26.787 1.00 0.00 ATOM 808 N ARG 100 24.773 53.286 26.011 1.00 0.00 ATOM 809 CA ARG 100 25.211 52.802 24.675 1.00 0.00 ATOM 810 CB ARG 100 25.898 53.892 23.866 1.00 0.00 ATOM 811 CG ARG 100 24.978 54.993 23.366 1.00 0.00 ATOM 812 CD ARG 100 25.668 56.080 22.625 1.00 0.00 ATOM 813 NE ARG 100 24.796 57.152 22.174 1.00 0.00 ATOM 814 CZ ARG 100 25.215 58.263 21.536 1.00 0.00 ATOM 815 NH1 ARG 100 26.492 58.469 21.304 1.00 0.00 ATOM 816 NH2 ARG 100 24.307 59.151 21.170 1.00 0.00 ATOM 817 O ARG 100 25.851 50.568 24.088 1.00 0.00 ATOM 818 C ARG 100 26.097 51.552 24.778 1.00 0.00 ATOM 819 N PRO 101 27.095 51.528 25.672 1.00 0.00 ATOM 820 CA PRO 101 27.983 50.424 25.986 1.00 0.00 ATOM 821 CB PRO 101 28.998 50.943 27.006 1.00 0.00 ATOM 822 CG PRO 101 29.121 52.399 26.611 1.00 0.00 ATOM 823 CD PRO 101 27.682 52.672 26.302 1.00 0.00 ATOM 824 O PRO 101 27.373 48.201 26.146 1.00 0.00 ATOM 825 C PRO 101 27.165 49.314 26.592 1.00 0.00 ATOM 826 N CYS 102 26.230 49.617 27.494 1.00 0.00 ATOM 827 CA CYS 102 25.381 48.557 28.065 1.00 0.00 ATOM 828 CB CYS 102 24.498 49.136 29.166 1.00 0.00 ATOM 829 SG CYS 102 25.456 49.642 30.640 1.00 0.00 ATOM 830 O CYS 102 24.549 46.643 26.876 1.00 0.00 ATOM 831 C CYS 102 24.525 47.864 27.002 1.00 0.00 ATOM 832 N LEU 103 24.006 48.688 26.098 1.00 0.00 ATOM 833 CA LEU 103 23.204 48.195 24.962 1.00 0.00 ATOM 834 CB LEU 103 22.574 49.373 24.208 1.00 0.00 ATOM 835 CG LEU 103 21.342 49.994 24.877 1.00 0.00 ATOM 836 CD1 LEU 103 20.928 51.260 24.139 1.00 0.00 ATOM 837 CD2 LEU 103 20.207 48.982 24.891 1.00 0.00 ATOM 838 O LEU 103 23.701 46.200 23.740 1.00 0.00 ATOM 839 C LEU 103 24.055 47.351 24.021 1.00 0.00 ATOM 840 N ASN 104 25.222 47.884 23.676 1.00 0.00 ATOM 841 CA ASN 104 26.178 47.130 22.834 1.00 0.00 ATOM 842 CB ASN 104 27.424 47.945 22.542 1.00 0.00 ATOM 843 CG ASN 104 27.200 49.062 21.560 1.00 0.00 ATOM 844 ND2 ASN 104 28.144 49.967 21.510 1.00 0.00 ATOM 845 OD1 ASN 104 26.221 49.065 20.805 1.00 0.00 ATOM 846 O ASN 104 26.577 44.755 22.848 1.00 0.00 ATOM 847 C ASN 104 26.556 45.803 23.483 1.00 0.00 ATOM 848 N MET 105 26.740 45.868 24.797 1.00 0.00 ATOM 849 CA MET 105 27.111 44.720 25.642 1.00 0.00 ATOM 850 CB MET 105 27.373 45.181 27.074 1.00 0.00 ATOM 851 CG MET 105 27.757 44.064 28.034 1.00 0.00 ATOM 852 SD MET 105 28.006 44.654 29.722 1.00 0.00 ATOM 853 CE MET 105 26.319 44.989 30.215 1.00 0.00 ATOM 854 O MET 105 26.420 42.427 25.602 1.00 0.00 ATOM 855 C MET 105 26.064 43.595 25.673 1.00 0.00 ATOM 856 N LEU 106 24.802 43.989 25.881 1.00 0.00 ATOM 857 CA LEU 106 23.702 43.030 25.993 1.00 0.00 ATOM 858 CB LEU 106 22.383 43.765 26.259 1.00 0.00 ATOM 859 CG LEU 106 21.953 43.824 27.731 1.00 0.00 ATOM 860 CD1 LEU 106 23.173 44.018 28.623 1.00 0.00 ATOM 861 CD2 LEU 106 20.958 44.958 27.925 1.00 0.00 ATOM 862 O LEU 106 23.625 40.952 24.825 1.00 0.00 ATOM 863 C LEU 106 23.586 42.167 24.731 1.00 0.00 ATOM 864 N ASN 107 23.632 42.836 23.582 1.00 0.00 ATOM 865 CA ASN 107 23.571 42.113 22.295 1.00 0.00 ATOM 866 CB ASN 107 23.449 43.071 21.125 1.00 0.00 ATOM 867 CG ASN 107 23.248 42.387 19.801 1.00 0.00 ATOM 868 ND2 ASN 107 24.237 42.502 18.951 1.00 0.00 ATOM 869 OD1 ASN 107 22.245 41.701 19.579 1.00 0.00 ATOM 870 O ASN 107 24.653 40.050 21.642 1.00 0.00 ATOM 871 C ASN 107 24.788 41.189 22.077 1.00 0.00 ATOM 872 N ARG 108 25.971 41.688 22.405 1.00 0.00 ATOM 873 CA ARG 108 27.197 40.890 22.237 1.00 0.00 ATOM 874 CB ARG 108 28.455 41.718 22.453 1.00 0.00 ATOM 875 CG ARG 108 28.749 42.732 21.359 1.00 0.00 ATOM 876 CD ARG 108 29.950 43.570 21.607 1.00 0.00 ATOM 877 NE ARG 108 30.215 44.564 20.579 1.00 0.00 ATOM 878 CZ ARG 108 31.217 45.463 20.624 1.00 0.00 ATOM 879 NH1 ARG 108 32.026 45.525 21.659 1.00 0.00 ATOM 880 NH2 ARG 108 31.350 46.301 19.610 1.00 0.00 ATOM 881 O ARG 108 27.388 38.533 22.664 1.00 0.00 ATOM 882 C ARG 108 27.194 39.644 23.134 1.00 0.00 ATOM 883 N LEU 109 26.841 39.860 24.400 1.00 0.00 ATOM 884 CA LEU 109 26.789 38.747 25.373 1.00 0.00 ATOM 885 CB LEU 109 26.544 39.289 26.786 1.00 0.00 ATOM 886 CG LEU 109 27.708 40.086 27.391 1.00 0.00 ATOM 887 CD1 LEU 109 27.283 40.714 28.710 1.00 0.00 ATOM 888 CD2 LEU 109 28.904 39.166 27.592 1.00 0.00 ATOM 889 O LEU 109 25.904 36.533 25.183 1.00 0.00 ATOM 890 C LEU 109 25.709 37.726 25.010 1.00 0.00 ATOM 891 N THR 110 24.584 38.222 24.493 1.00 0.00 ATOM 892 CA THR 110 23.514 37.310 24.047 1.00 0.00 ATOM 893 CB THR 110 22.262 38.084 23.597 1.00 0.00 ATOM 894 CG2 THR 110 21.551 38.691 24.797 1.00 0.00 ATOM 895 OG1 THR 110 22.642 39.129 22.692 1.00 0.00 ATOM 896 O THR 110 23.747 35.206 22.897 1.00 0.00 ATOM 897 C THR 110 23.981 36.410 22.892 1.00 0.00 ATOM 898 N TYR 111 24.689 37.003 21.949 1.00 0.00 ATOM 899 CA TYR 111 25.270 36.238 20.827 1.00 0.00 ATOM 900 CB TYR 111 25.912 37.184 19.810 1.00 0.00 ATOM 901 CG TYR 111 26.553 36.479 18.635 1.00 0.00 ATOM 902 CD1 TYR 111 25.782 35.989 17.591 1.00 0.00 ATOM 903 CD2 TYR 111 27.927 36.307 18.574 1.00 0.00 ATOM 904 CE1 TYR 111 26.362 35.343 16.516 1.00 0.00 ATOM 905 CE2 TYR 111 28.519 35.664 17.503 1.00 0.00 ATOM 906 CZ TYR 111 27.733 35.182 16.477 1.00 0.00 ATOM 907 OH TYR 111 28.317 34.541 15.408 1.00 0.00 ATOM 908 O TYR 111 26.251 34.058 20.983 1.00 0.00 ATOM 909 C TYR 111 26.299 35.228 21.341 1.00 0.00 ATOM 910 N GLU 112 27.113 35.687 22.287 1.00 0.00 ATOM 911 CA GLU 112 28.141 34.829 22.917 1.00 0.00 ATOM 912 CB GLU 112 29.013 35.650 23.870 1.00 0.00 ATOM 913 CG GLU 112 29.948 36.631 23.180 1.00 0.00 ATOM 914 CD GLU 112 30.687 37.477 24.178 1.00 0.00 ATOM 915 OE1 GLU 112 30.422 37.348 25.349 1.00 0.00 ATOM 916 OE2 GLU 112 31.593 38.172 23.783 1.00 0.00 ATOM 917 O GLU 112 27.956 32.506 23.526 1.00 0.00 ATOM 918 C GLU 112 27.509 33.652 23.670 1.00 0.00 ATOM 919 N VAL 113 26.359 33.880 24.311 1.00 0.00 ATOM 920 CA VAL 113 25.647 32.797 25.022 1.00 0.00 ATOM 921 CB VAL 113 24.690 33.293 26.114 1.00 0.00 ATOM 922 CG1 VAL 113 25.500 34.009 27.173 1.00 0.00 ATOM 923 CG2 VAL 113 23.559 34.187 25.620 1.00 0.00 ATOM 924 O VAL 113 24.963 30.605 24.329 1.00 0.00 ATOM 925 C VAL 113 24.957 31.813 24.077 1.00 0.00 ATOM 926 N THR 114 24.414 32.352 22.984 1.00 0.00 ATOM 927 CA THR 114 23.857 31.541 21.885 1.00 0.00 ATOM 928 CB THR 114 23.295 32.426 20.758 1.00 0.00 ATOM 929 CG2 THR 114 22.775 31.567 19.615 1.00 0.00 ATOM 930 OG1 THR 114 22.228 33.234 21.269 1.00 0.00 ATOM 931 O THR 114 24.707 29.398 21.216 1.00 0.00 ATOM 932 C THR 114 24.914 30.604 21.308 1.00 0.00 ATOM 933 N GLU 115 26.058 31.208 21.001 1.00 0.00 ATOM 934 CA GLU 115 27.153 30.456 20.389 1.00 0.00 ATOM 935 CB GLU 115 28.277 31.401 19.959 1.00 0.00 ATOM 936 CG GLU 115 27.932 32.288 18.770 1.00 0.00 ATOM 937 CD GLU 115 27.565 31.467 17.566 1.00 0.00 ATOM 938 OE1 GLU 115 28.326 30.601 17.205 1.00 0.00 ATOM 939 OE2 GLU 115 26.475 31.629 17.072 1.00 0.00 ATOM 940 O GLU 115 27.975 28.245 20.894 1.00 0.00 ATOM 941 C GLU 115 27.737 29.376 21.309 1.00 0.00 ATOM 942 N ILE 116 27.818 29.708 22.597 1.00 0.00 ATOM 943 CA ILE 116 28.276 28.752 23.626 1.00 0.00 ATOM 944 CB ILE 116 28.291 29.461 24.986 1.00 0.00 ATOM 945 CG1 ILE 116 29.581 30.283 25.094 1.00 0.00 ATOM 946 CG2 ILE 116 28.126 28.560 26.217 1.00 0.00 ATOM 947 CD1 ILE 116 29.481 31.316 26.220 1.00 0.00 ATOM 948 O ILE 116 27.763 26.415 23.523 1.00 0.00 ATOM 949 C ILE 116 27.340 27.541 23.602 1.00 0.00 ATOM 950 N ALA 117 26.058 27.801 23.521 1.00 0.00 ATOM 951 CA ALA 117 25.109 26.702 23.573 1.00 0.00 ATOM 952 CB ALA 117 23.918 27.427 24.154 1.00 0.00 ATOM 953 O ALA 117 25.000 24.641 22.344 1.00 0.00 ATOM 954 C ALA 117 25.037 25.876 22.265 1.00 0.00 ATOM 955 N LEU 118 25.280 26.509 21.107 1.00 0.00 ATOM 956 CA LEU 118 25.428 25.799 19.819 1.00 0.00 ATOM 957 CB LEU 118 25.597 26.806 18.674 1.00 0.00 ATOM 958 CG LEU 118 25.307 26.255 17.272 1.00 0.00 ATOM 959 CD1 LEU 118 25.347 27.383 16.250 1.00 0.00 ATOM 960 CD2 LEU 118 26.323 25.177 16.928 1.00 0.00 ATOM 961 O LEU 118 26.419 23.633 19.499 1.00 0.00 ATOM 962 C LEU 118 26.602 24.814 19.806 1.00 0.00 ATOM 963 N ASP 119 27.670 25.238 20.467 1.00 0.00 ATOM 964 CA ASP 119 28.894 24.454 20.587 1.00 0.00 ATOM 965 CB ASP 119 30.123 25.350 20.413 1.00 0.00 ATOM 966 CG ASP 119 30.234 26.007 19.044 1.00 0.00 ATOM 967 OD1 ASP 119 30.089 25.318 18.062 1.00 0.00 ATOM 968 OD2 ASP 119 30.303 27.211 18.990 1.00 0.00 ATOM 969 O ASP 119 29.973 22.949 22.118 1.00 0.00 ATOM 970 C ASP 119 29.023 23.702 21.914 1.00 0.00 ATOM 971 N LEU 120 28.022 23.834 22.769 1.00 0.00 ATOM 972 CA LEU 120 28.058 23.171 24.093 1.00 0.00 ATOM 973 CB LEU 120 28.419 24.134 25.229 1.00 0.00 ATOM 974 CG LEU 120 29.634 25.045 25.006 1.00 0.00 ATOM 975 CD1 LEU 120 29.730 25.770 26.322 1.00 0.00 ATOM 976 CD2 LEU 120 30.966 24.384 24.671 1.00 0.00 ATOM 977 O LEU 120 26.057 22.727 25.382 1.00 0.00 ATOM 978 C LEU 120 26.759 22.415 24.422 1.00 0.00 ATOM 979 N PRO 121 26.443 21.383 23.628 1.00 0.00 ATOM 980 CA PRO 121 25.288 20.523 23.953 1.00 0.00 ATOM 981 CB PRO 121 25.277 19.481 22.832 1.00 0.00 ATOM 982 CG PRO 121 26.695 19.474 22.293 1.00 0.00 ATOM 983 CD PRO 121 27.150 20.922 22.428 1.00 0.00 ATOM 984 O PRO 121 26.624 19.867 25.818 1.00 0.00 ATOM 985 C PRO 121 25.490 19.909 25.344 1.00 0.00 ATOM 986 N GLY 122 24.421 19.943 26.121 1.00 0.00 ATOM 987 CA GLY 122 24.416 19.291 27.445 1.00 0.00 ATOM 988 O GLY 122 24.518 19.722 29.784 1.00 0.00 ATOM 989 C GLY 122 24.655 20.189 28.651 1.00 0.00 ATOM 990 N ILE 123 25.085 21.417 28.391 1.00 0.00 ATOM 991 CA ILE 123 25.337 22.387 29.467 1.00 0.00 ATOM 992 CB ILE 123 26.121 23.610 28.954 1.00 0.00 ATOM 993 CG1 ILE 123 27.489 23.180 28.418 1.00 0.00 ATOM 994 CG2 ILE 123 26.278 24.642 30.059 1.00 0.00 ATOM 995 CD1 ILE 123 28.387 22.559 29.464 1.00 0.00 ATOM 996 O ILE 123 23.034 23.139 29.373 1.00 0.00 ATOM 997 C ILE 123 23.998 22.845 30.085 1.00 0.00 ATOM 998 N ASN 124 24.022 23.018 31.387 1.00 0.00 ATOM 999 CA ASN 124 22.834 23.510 32.111 1.00 0.00 ATOM 1000 CB ASN 124 22.899 23.160 33.586 1.00 0.00 ATOM 1001 CG ASN 124 22.724 21.694 33.869 1.00 0.00 ATOM 1002 ND2 ASN 124 23.171 21.285 35.030 1.00 0.00 ATOM 1003 OD1 ASN 124 22.128 20.955 33.078 1.00 0.00 ATOM 1004 O ASN 124 23.291 25.770 32.646 1.00 0.00 ATOM 1005 C ASN 124 22.715 25.013 31.899 1.00 0.00 ATOM 1006 N LEU 125 22.081 25.422 30.809 1.00 0.00 ATOM 1007 CA LEU 125 21.886 26.850 30.525 1.00 0.00 ATOM 1008 CB LEU 125 21.261 27.033 29.136 1.00 0.00 ATOM 1009 CG LEU 125 22.210 27.580 28.061 1.00 0.00 ATOM 1010 CD1 LEU 125 23.592 26.961 28.221 1.00 0.00 ATOM 1011 CD2 LEU 125 21.641 27.281 26.682 1.00 0.00 ATOM 1012 O LEU 125 21.241 28.688 31.926 1.00 0.00 ATOM 1013 C LEU 125 21.007 27.530 31.593 1.00 0.00 ATOM 1014 N GLU 126 19.976 26.818 32.045 1.00 0.00 ATOM 1015 CA GLU 126 19.076 27.327 33.098 1.00 0.00 ATOM 1016 CB GLU 126 18.002 26.289 33.432 1.00 0.00 ATOM 1017 CG GLU 126 18.543 24.988 34.008 1.00 0.00 ATOM 1018 CD GLU 126 17.431 24.031 34.335 1.00 0.00 ATOM 1019 OE1 GLU 126 16.689 23.687 33.446 1.00 0.00 ATOM 1020 OE2 GLU 126 17.389 23.557 35.446 1.00 0.00 ATOM 1021 O GLU 126 19.334 28.543 35.152 1.00 0.00 ATOM 1022 C GLU 126 19.828 27.717 34.390 1.00 0.00 ATOM 1023 N PHE 127 20.910 27.013 34.672 1.00 0.00 ATOM 1024 CA PHE 127 21.759 27.275 35.838 1.00 0.00 ATOM 1025 CB PHE 127 21.710 26.096 36.810 1.00 0.00 ATOM 1026 CG PHE 127 22.579 26.273 38.022 1.00 0.00 ATOM 1027 CD1 PHE 127 22.193 27.118 39.053 1.00 0.00 ATOM 1028 CD2 PHE 127 23.784 25.596 38.135 1.00 0.00 ATOM 1029 CE1 PHE 127 22.992 27.281 40.168 1.00 0.00 ATOM 1030 CE2 PHE 127 24.584 25.757 39.249 1.00 0.00 ATOM 1031 CZ PHE 127 24.187 26.601 40.268 1.00 0.00 ATOM 1032 O PHE 127 23.523 27.636 34.241 1.00 0.00 ATOM 1033 C PHE 127 23.216 27.555 35.440 1.00 0.00 TER END