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 1 Sat Aug 5 21:25:04 2006 MODEL 1 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 34.463 54.225 37.090 1.00 0.00 ATOM 2 CA SER 1 35.387 53.134 36.719 1.00 0.00 ATOM 3 CB SER 1 36.630 53.085 37.634 1.00 0.00 ATOM 4 OG SER 1 36.256 52.578 38.901 1.00 0.00 ATOM 5 O SER 1 33.594 51.677 37.272 1.00 0.00 ATOM 6 C SER 1 34.637 51.799 36.642 1.00 0.00 ATOM 7 N ASN 2 35.214 50.838 35.922 1.00 0.00 ATOM 8 CA ASN 2 34.575 49.514 35.785 1.00 0.00 ATOM 9 CB ASN 2 35.389 48.591 34.963 1.00 0.00 ATOM 10 CG ASN 2 35.353 48.976 33.444 1.00 0.00 ATOM 11 ND2 ASN 2 34.456 49.876 33.096 1.00 0.00 ATOM 12 OD1 ASN 2 36.116 48.428 32.612 1.00 0.00 ATOM 13 O ASN 2 33.355 48.230 37.368 1.00 0.00 ATOM 14 C ASN 2 34.412 48.781 37.100 1.00 0.00 ATOM 15 N ALA 3 35.439 48.873 37.927 1.00 0.00 ATOM 16 CA ALA 3 35.425 48.254 39.266 1.00 0.00 ATOM 17 CB ALA 3 36.741 48.466 40.001 1.00 0.00 ATOM 18 O ALA 3 33.590 48.161 40.810 1.00 0.00 ATOM 19 C ALA 3 34.342 48.874 40.152 1.00 0.00 ATOM 20 N MET 4 34.212 50.200 40.110 1.00 0.00 ATOM 21 CA MET 4 33.166 50.889 40.885 1.00 0.00 ATOM 22 CB MET 4 33.123 52.397 40.111 1.00 0.00 ATOM 23 CG MET 4 32.564 53.592 40.855 1.00 0.00 ATOM 24 SD MET 4 32.223 55.011 39.805 1.00 0.00 ATOM 25 CE MET 4 33.559 56.106 40.286 1.00 0.00 ATOM 26 O MET 4 30.902 50.159 41.208 1.00 0.00 ATOM 27 C MET 4 31.805 50.400 40.405 1.00 0.00 ATOM 28 N ASN 5 31.658 50.230 39.066 1.00 0.00 ATOM 29 CA ASN 5 30.401 49.770 38.490 1.00 0.00 ATOM 30 CB ASN 5 30.360 49.848 36.991 1.00 0.00 ATOM 31 CG ASN 5 30.265 51.298 36.501 1.00 0.00 ATOM 32 ND2 ASN 5 30.838 51.563 35.341 1.00 0.00 ATOM 33 OD1 ASN 5 29.698 52.155 37.177 1.00 0.00 ATOM 34 O ASN 5 28.976 48.009 39.312 1.00 0.00 ATOM 35 C ASN 5 30.093 48.339 38.918 1.00 0.00 ATOM 36 N LEU 6 31.168 47.458 38.915 1.00 0.00 ATOM 37 CA LEU 6 31.029 46.068 39.357 1.00 0.00 ATOM 38 CB LEU 6 32.343 45.309 39.142 1.00 0.00 ATOM 39 CG LEU 6 32.746 45.103 37.676 1.00 0.00 ATOM 40 CD1 LEU 6 34.144 44.505 37.597 1.00 0.00 ATOM 41 CD2 LEU 6 31.733 44.198 36.992 1.00 0.00 ATOM 42 O LEU 6 29.653 45.227 41.121 1.00 0.00 ATOM 43 C LEU 6 30.561 45.981 40.816 1.00 0.00 ATOM 44 N LYS 7 31.145 46.792 41.690 1.00 0.00 ATOM 45 CA LYS 7 30.746 46.803 43.089 1.00 0.00 ATOM 46 CB LYS 7 31.630 47.791 43.850 1.00 0.00 ATOM 47 CG LYS 7 33.067 47.329 44.047 1.00 0.00 ATOM 48 CD LYS 7 33.882 48.363 44.808 1.00 0.00 ATOM 49 CE LYS 7 35.326 47.913 44.982 1.00 0.00 ATOM 50 NZ LYS 7 36.145 48.932 45.695 1.00 0.00 ATOM 51 O LYS 7 28.517 46.611 43.979 1.00 0.00 ATOM 52 C LYS 7 29.275 47.201 43.226 1.00 0.00 ATOM 53 N ARG 8 28.889 48.251 42.522 1.00 0.00 ATOM 54 CA ARG 8 27.513 48.761 42.587 1.00 0.00 ATOM 55 CB ARG 8 27.443 50.263 42.353 1.00 0.00 ATOM 56 CG ARG 8 28.096 51.109 43.433 1.00 0.00 ATOM 57 CD ARG 8 28.043 52.572 43.181 1.00 0.00 ATOM 58 NE ARG 8 28.712 53.382 44.187 1.00 0.00 ATOM 59 CZ ARG 8 28.879 54.716 44.108 1.00 0.00 ATOM 60 NH1 ARG 8 28.461 55.390 43.060 1.00 0.00 ATOM 61 NH2 ARG 8 29.495 55.329 45.105 1.00 0.00 ATOM 62 O ARG 8 25.318 48.418 41.687 1.00 0.00 ATOM 63 C ARG 8 26.497 48.073 41.657 1.00 0.00 ATOM 64 N GLU 9 26.964 47.095 40.891 1.00 0.00 ATOM 65 CA GLU 9 26.131 46.375 39.927 1.00 0.00 ATOM 66 CB GLU 9 26.711 46.501 38.517 1.00 0.00 ATOM 67 CG GLU 9 26.720 47.920 37.964 1.00 0.00 ATOM 68 CD GLU 9 27.250 47.956 36.558 1.00 0.00 ATOM 69 OE1 GLU 9 27.618 46.922 36.056 1.00 0.00 ATOM 70 OE2 GLU 9 27.181 48.995 35.946 1.00 0.00 ATOM 71 O GLU 9 26.739 44.335 41.102 1.00 0.00 ATOM 72 C GLU 9 25.987 44.899 40.302 1.00 0.00 ATOM 73 N GLN 10 24.890 44.345 39.787 1.00 0.00 ATOM 74 CA GLN 10 24.546 42.924 39.997 1.00 0.00 ATOM 75 CB GLN 10 23.433 42.790 41.039 1.00 0.00 ATOM 76 CG GLN 10 23.044 41.356 41.355 1.00 0.00 ATOM 77 CD GLN 10 22.009 41.265 42.460 1.00 0.00 ATOM 78 OE1 GLN 10 21.569 42.283 43.002 1.00 0.00 ATOM 79 NE2 GLN 10 21.618 40.045 42.806 1.00 0.00 ATOM 80 O GLN 10 23.325 42.834 37.959 1.00 0.00 ATOM 81 C GLN 10 24.090 42.246 38.716 1.00 0.00 ATOM 82 N GLU 11 24.693 41.063 38.435 1.00 0.00 ATOM 83 CA GLU 11 24.343 40.301 37.238 1.00 0.00 ATOM 84 CB GLU 11 25.635 40.100 36.442 1.00 0.00 ATOM 85 CG GLU 11 26.239 41.382 35.889 1.00 0.00 ATOM 86 CD GLU 11 27.460 41.097 35.060 1.00 0.00 ATOM 87 OE1 GLU 11 27.793 39.947 34.901 1.00 0.00 ATOM 88 OE2 GLU 11 27.997 42.020 34.492 1.00 0.00 ATOM 89 O GLU 11 23.942 38.406 38.657 1.00 0.00 ATOM 90 C GLU 11 23.576 39.059 37.680 1.00 0.00 ATOM 91 N PHE 12 22.459 38.733 36.919 1.00 0.00 ATOM 92 CA PHE 12 21.632 37.571 37.227 1.00 0.00 ATOM 93 CB PHE 12 20.782 37.766 38.502 1.00 0.00 ATOM 94 CG PHE 12 19.494 38.569 38.303 1.00 0.00 ATOM 95 CD1 PHE 12 18.345 37.908 37.878 1.00 0.00 ATOM 96 CD2 PHE 12 19.448 39.923 38.589 1.00 0.00 ATOM 97 CE1 PHE 12 17.150 38.603 37.720 1.00 0.00 ATOM 98 CE2 PHE 12 18.263 40.608 38.430 1.00 0.00 ATOM 99 CZ PHE 12 17.113 39.958 37.985 1.00 0.00 ATOM 100 O PHE 12 20.692 37.890 35.047 1.00 0.00 ATOM 101 C PHE 12 20.773 37.169 36.042 1.00 0.00 ATOM 102 N VAL 13 20.214 35.923 36.101 1.00 0.00 ATOM 103 CA VAL 13 19.355 35.409 35.048 1.00 0.00 ATOM 104 CB VAL 13 19.740 33.986 34.604 1.00 0.00 ATOM 105 CG1 VAL 13 18.787 33.487 33.527 1.00 0.00 ATOM 106 CG2 VAL 13 21.175 33.954 34.100 1.00 0.00 ATOM 107 O VAL 13 17.588 34.759 36.529 1.00 0.00 ATOM 108 C VAL 13 17.921 35.442 35.565 1.00 0.00 ATOM 109 N SER 14 17.096 36.270 34.927 1.00 0.00 ATOM 110 CA SER 14 15.706 36.389 35.353 1.00 0.00 ATOM 111 CB SER 14 14.987 37.603 34.793 1.00 0.00 ATOM 112 OG SER 14 15.003 37.582 33.362 1.00 0.00 ATOM 113 O SER 14 14.118 34.659 35.683 1.00 0.00 ATOM 114 C SER 14 14.935 35.147 34.923 1.00 0.00 ATOM 115 N GLN 15 15.297 34.572 33.787 1.00 0.00 ATOM 116 CA GLN 15 14.551 33.436 33.230 1.00 0.00 ATOM 117 CB GLN 15 13.428 33.972 32.373 1.00 0.00 ATOM 118 CG GLN 15 12.611 32.895 31.658 1.00 0.00 ATOM 119 CD GLN 15 11.622 33.477 30.657 1.00 0.00 ATOM 120 OE1 GLN 15 11.460 34.694 30.555 1.00 0.00 ATOM 121 NE2 GLN 15 10.979 32.612 29.894 1.00 0.00 ATOM 122 O GLN 15 16.253 33.147 31.558 1.00 0.00 ATOM 123 C GLN 15 15.453 32.604 32.326 1.00 0.00 ATOM 124 N TYR 16 15.238 31.308 32.422 1.00 0.00 ATOM 125 CA TYR 16 15.979 30.351 31.601 1.00 0.00 ATOM 126 CB TYR 16 17.133 29.798 32.436 1.00 0.00 ATOM 127 CG TYR 16 17.914 28.782 31.611 1.00 0.00 ATOM 128 CD1 TYR 16 18.746 29.194 30.587 1.00 0.00 ATOM 129 CD2 TYR 16 17.741 27.442 31.862 1.00 0.00 ATOM 130 CE1 TYR 16 19.425 28.265 29.823 1.00 0.00 ATOM 131 CE2 TYR 16 18.380 26.512 31.087 1.00 0.00 ATOM 132 CZ TYR 16 19.231 26.924 30.084 1.00 0.00 ATOM 133 OH TYR 16 19.850 26.003 29.328 1.00 0.00 ATOM 134 O TYR 16 14.390 28.576 31.967 1.00 0.00 ATOM 135 C TYR 16 15.041 29.232 31.144 1.00 0.00 ATOM 136 N HIS 17 15.038 28.988 29.844 1.00 0.00 ATOM 137 CA HIS 17 14.189 27.925 29.261 1.00 0.00 ATOM 138 CB HIS 17 12.877 28.517 28.735 1.00 0.00 ATOM 139 CG HIS 17 11.957 27.498 28.136 1.00 0.00 ATOM 140 CD2 HIS 17 11.671 27.205 26.846 1.00 0.00 ATOM 141 ND1 HIS 17 11.201 26.636 28.902 1.00 0.00 ATOM 142 CE1 HIS 17 10.489 25.856 28.108 1.00 0.00 ATOM 143 NE2 HIS 17 10.756 26.181 26.856 1.00 0.00 ATOM 144 O HIS 17 15.196 27.795 27.097 1.00 0.00 ATOM 145 C HIS 17 14.875 27.168 28.120 1.00 0.00 ATOM 146 N PHE 18 15.024 25.904 28.298 1.00 0.00 ATOM 147 CA PHE 18 15.571 25.019 27.265 1.00 0.00 ATOM 148 CB PHE 18 16.920 24.497 27.775 1.00 0.00 ATOM 149 CG PHE 18 17.594 23.586 26.751 1.00 0.00 ATOM 150 CD1 PHE 18 18.245 24.147 25.657 1.00 0.00 ATOM 151 CD2 PHE 18 17.563 22.211 26.893 1.00 0.00 ATOM 152 CE1 PHE 18 18.874 23.342 24.726 1.00 0.00 ATOM 153 CE2 PHE 18 18.183 21.396 25.951 1.00 0.00 ATOM 154 CZ PHE 18 18.844 21.956 24.867 1.00 0.00 ATOM 155 O PHE 18 14.080 23.293 27.952 1.00 0.00 ATOM 156 C PHE 18 14.609 23.867 27.005 1.00 0.00 ATOM 157 N ASP 19 14.297 23.633 25.744 1.00 0.00 ATOM 158 CA ASP 19 13.394 22.534 25.367 1.00 0.00 ATOM 159 CB ASP 19 12.000 23.080 25.044 1.00 0.00 ATOM 160 CG ASP 19 10.930 22.008 24.876 1.00 0.00 ATOM 161 OD1 ASP 19 11.081 21.174 24.017 1.00 0.00 ATOM 162 OD2 ASP 19 10.055 21.938 25.706 1.00 0.00 ATOM 163 O ASP 19 14.298 22.339 23.147 1.00 0.00 ATOM 164 C ASP 19 13.948 21.755 24.175 1.00 0.00 ATOM 165 N ALA 20 13.986 20.441 24.350 1.00 0.00 ATOM 166 CA ALA 20 14.280 19.485 23.279 1.00 0.00 ATOM 167 CB ALA 20 15.574 18.804 23.683 1.00 0.00 ATOM 168 O ALA 20 13.268 17.269 23.325 1.00 0.00 ATOM 169 C ALA 20 13.138 18.464 23.080 1.00 0.00 ATOM 170 N ARG 21 12.036 18.944 22.487 1.00 0.00 ATOM 171 CA ARG 21 10.860 18.097 22.229 1.00 0.00 ATOM 172 CB ARG 21 9.619 18.923 21.928 1.00 0.00 ATOM 173 CG ARG 21 9.620 19.608 20.570 1.00 0.00 ATOM 174 CD ARG 21 8.433 20.462 20.312 1.00 0.00 ATOM 175 NE ARG 21 8.454 21.157 19.036 1.00 0.00 ATOM 176 CZ ARG 21 7.495 22.000 18.608 1.00 0.00 ATOM 177 NH1 ARG 21 6.421 22.227 19.330 1.00 0.00 ATOM 178 NH2 ARG 21 7.652 22.576 17.428 1.00 0.00 ATOM 179 O ARG 21 10.374 16.070 21.015 1.00 0.00 ATOM 180 C ARG 21 11.096 17.060 21.134 1.00 0.00 ATOM 181 N ASN 22 12.108 17.319 20.309 1.00 0.00 ATOM 182 CA ASN 22 12.402 16.392 19.218 1.00 0.00 ATOM 183 CB ASN 22 12.899 17.126 17.987 1.00 0.00 ATOM 184 CG ASN 22 13.147 16.228 16.806 1.00 0.00 ATOM 185 ND2 ASN 22 13.932 16.717 15.880 1.00 0.00 ATOM 186 OD1 ASN 22 12.695 15.077 16.769 1.00 0.00 ATOM 187 O ASN 22 14.619 15.396 19.435 1.00 0.00 ATOM 188 C ASN 22 13.423 15.350 19.683 1.00 0.00 ATOM 189 N PHE 23 12.887 14.274 20.234 1.00 0.00 ATOM 190 CA PHE 23 13.694 13.168 20.804 1.00 0.00 ATOM 191 CB PHE 23 12.665 12.218 21.598 1.00 0.00 ATOM 192 CG PHE 23 11.881 12.812 22.761 1.00 0.00 ATOM 193 CD1 PHE 23 12.414 13.667 23.700 1.00 0.00 ATOM 194 CD2 PHE 23 10.533 12.481 22.891 1.00 0.00 ATOM 195 CE1 PHE 23 11.644 14.157 24.749 1.00 0.00 ATOM 196 CE2 PHE 23 9.738 12.963 23.930 1.00 0.00 ATOM 197 CZ PHE 23 10.323 13.807 24.884 1.00 0.00 ATOM 198 O PHE 23 15.607 11.841 20.239 1.00 0.00 ATOM 199 C PHE 23 14.643 12.470 19.831 1.00 0.00 ATOM 200 N GLU 24 14.363 12.655 18.480 1.00 0.00 ATOM 201 CA GLU 24 15.204 12.040 17.450 1.00 0.00 ATOM 202 CB GLU 24 14.579 12.230 16.065 1.00 0.00 ATOM 203 CG GLU 24 13.320 11.410 15.827 1.00 0.00 ATOM 204 CD GLU 24 12.706 11.728 14.492 1.00 0.00 ATOM 205 OE1 GLU 24 13.206 12.600 13.821 1.00 0.00 ATOM 206 OE2 GLU 24 11.807 11.026 14.091 1.00 0.00 ATOM 207 O GLU 24 17.573 11.772 17.307 1.00 0.00 ATOM 208 C GLU 24 16.636 12.565 17.421 1.00 0.00 ATOM 209 N TRP 25 16.808 13.856 17.687 1.00 0.00 ATOM 210 CA TRP 25 18.158 14.469 17.707 1.00 0.00 ATOM 211 CB TRP 25 18.138 15.994 17.902 1.00 0.00 ATOM 212 CG TRP 25 17.836 16.487 19.314 1.00 0.00 ATOM 213 CD1 TRP 25 16.683 16.984 19.719 1.00 0.00 ATOM 214 CD2 TRP 25 18.704 16.582 20.395 1.00 0.00 ATOM 215 CE2 TRP 25 17.964 17.118 21.434 1.00 0.00 ATOM 216 CE3 TRP 25 20.038 16.302 20.569 1.00 0.00 ATOM 217 NE1 TRP 25 16.733 17.328 21.000 1.00 0.00 ATOM 218 CZ2 TRP 25 18.567 17.374 22.658 1.00 0.00 ATOM 219 CZ3 TRP 25 20.631 16.556 21.802 1.00 0.00 ATOM 220 CH2 TRP 25 19.912 17.083 22.842 1.00 0.00 ATOM 221 O TRP 25 20.321 13.927 18.538 1.00 0.00 ATOM 222 C TRP 25 19.102 13.813 18.717 1.00 0.00 ATOM 223 N GLU 26 18.546 13.089 19.698 1.00 0.00 ATOM 224 CA GLU 26 19.369 12.305 20.646 1.00 0.00 ATOM 225 CB GLU 26 18.481 11.445 21.549 1.00 0.00 ATOM 226 CG GLU 26 17.678 12.232 22.574 1.00 0.00 ATOM 227 CD GLU 26 16.760 11.334 23.355 1.00 0.00 ATOM 228 OE1 GLU 26 16.710 10.165 23.059 1.00 0.00 ATOM 229 OE2 GLU 26 16.194 11.790 24.321 1.00 0.00 ATOM 230 O GLU 26 21.481 11.250 20.260 1.00 0.00 ATOM 231 C GLU 26 20.348 11.466 19.834 1.00 0.00 ATOM 232 N ASN 27 19.933 11.059 18.599 1.00 0.00 ATOM 233 CA ASN 27 20.785 10.193 17.786 1.00 0.00 ATOM 234 CB ASN 27 20.651 8.734 18.315 1.00 0.00 ATOM 235 CG ASN 27 19.202 8.252 18.426 1.00 0.00 ATOM 236 ND2 ASN 27 18.763 7.404 17.519 1.00 0.00 ATOM 237 OD1 ASN 27 18.506 8.673 19.373 1.00 0.00 ATOM 238 O ASN 27 21.717 10.138 15.547 1.00 0.00 ATOM 239 C ASN 27 20.849 10.584 16.299 1.00 0.00 ATOM 240 N GLU 28 19.946 11.469 15.884 1.00 0.00 ATOM 241 CA GLU 28 19.864 11.942 14.498 1.00 0.00 ATOM 242 CB GLU 28 18.606 12.790 14.295 1.00 0.00 ATOM 243 CG GLU 28 18.245 13.038 12.837 1.00 0.00 ATOM 244 CD GLU 28 17.901 11.754 12.133 1.00 0.00 ATOM 245 OE1 GLU 28 16.961 11.112 12.534 1.00 0.00 ATOM 246 OE2 GLU 28 18.507 11.473 11.126 1.00 0.00 ATOM 247 O GLU 28 21.782 13.354 14.979 1.00 0.00 ATOM 248 C GLU 28 21.116 12.733 14.142 1.00 0.00 ATOM 249 N ASN 29 21.445 12.672 12.872 1.00 0.00 ATOM 250 CA ASN 29 22.629 13.395 12.393 1.00 0.00 ATOM 251 CB ASN 29 22.975 13.013 10.967 1.00 0.00 ATOM 252 CG ASN 29 21.954 13.455 9.956 1.00 0.00 ATOM 253 ND2 ASN 29 21.420 12.501 9.238 1.00 0.00 ATOM 254 OD1 ASN 29 21.599 14.636 9.879 1.00 0.00 ATOM 255 O ASN 29 21.418 15.423 12.802 1.00 0.00 ATOM 256 C ASN 29 22.490 14.921 12.477 1.00 0.00 ATOM 257 N GLY 30 23.640 15.589 12.287 1.00 0.00 ATOM 258 CA GLY 30 23.772 17.048 12.431 1.00 0.00 ATOM 259 O GLY 30 21.601 17.682 11.548 1.00 0.00 ATOM 260 C GLY 30 22.820 17.788 11.495 1.00 0.00 ATOM 261 N ALA 31 23.451 18.639 10.687 1.00 0.00 ATOM 262 CA ALA 31 22.772 19.540 9.713 1.00 0.00 ATOM 263 CB ALA 31 22.258 18.755 8.495 1.00 0.00 ATOM 264 O ALA 31 20.581 20.586 9.784 1.00 0.00 ATOM 265 C ALA 31 21.692 20.494 10.312 1.00 0.00 ATOM 266 N PRO 32 22.044 21.293 11.338 1.00 0.00 ATOM 267 CA PRO 32 21.160 22.318 11.921 1.00 0.00 ATOM 268 CB PRO 32 21.681 22.596 13.325 1.00 0.00 ATOM 269 CG PRO 32 23.149 22.308 13.149 1.00 0.00 ATOM 270 CD PRO 32 23.200 21.105 12.224 1.00 0.00 ATOM 271 O PRO 32 22.194 24.214 10.816 1.00 0.00 ATOM 272 C PRO 32 21.164 23.674 11.203 1.00 0.00 ATOM 273 N GLU 33 20.002 24.277 11.338 1.00 0.00 ATOM 274 CA GLU 33 19.797 25.691 11.017 1.00 0.00 ATOM 275 CB GLU 33 18.421 25.815 10.477 1.00 0.00 ATOM 276 CG GLU 33 18.391 27.186 9.806 1.00 0.00 ATOM 277 CD GLU 33 17.210 27.388 8.869 1.00 0.00 ATOM 278 OE1 GLU 33 16.724 26.406 8.265 1.00 0.00 ATOM 279 OE2 GLU 33 16.765 28.548 8.726 1.00 0.00 ATOM 280 O GLU 33 18.737 26.086 13.113 1.00 0.00 ATOM 281 C GLU 33 19.651 26.412 12.343 1.00 0.00 ATOM 282 N THR 34 20.512 27.334 12.611 1.00 0.00 ATOM 283 CA THR 34 20.457 28.053 13.875 1.00 0.00 ATOM 284 CB THR 34 21.841 28.341 14.420 1.00 0.00 ATOM 285 CG2 THR 34 21.745 29.070 15.763 1.00 0.00 ATOM 286 OG1 THR 34 22.517 27.111 14.679 1.00 0.00 ATOM 287 O THR 34 20.414 30.222 12.854 1.00 0.00 ATOM 288 C THR 34 19.892 29.440 13.654 1.00 0.00 ATOM 289 N LYS 35 18.777 29.739 14.328 1.00 0.00 ATOM 290 CA LYS 35 18.170 31.052 14.202 1.00 0.00 ATOM 291 CB LYS 35 16.707 30.919 13.825 1.00 0.00 ATOM 292 CG LYS 35 16.070 32.249 13.473 1.00 0.00 ATOM 293 CD LYS 35 14.579 32.112 13.219 1.00 0.00 ATOM 294 CE LYS 35 13.894 33.473 13.216 1.00 0.00 ATOM 295 NZ LYS 35 12.545 33.441 12.569 1.00 0.00 ATOM 296 O LYS 35 18.154 31.192 16.598 1.00 0.00 ATOM 297 C LYS 35 18.363 31.778 15.536 1.00 0.00 ATOM 298 N VAL 36 18.821 33.020 15.437 1.00 0.00 ATOM 299 CA VAL 36 19.065 33.860 16.634 1.00 0.00 ATOM 300 CB VAL 36 20.563 34.310 16.697 1.00 0.00 ATOM 301 CG1 VAL 36 20.808 35.216 17.915 1.00 0.00 ATOM 302 CG2 VAL 36 21.493 33.094 16.718 1.00 0.00 ATOM 303 O VAL 36 18.144 35.895 15.767 1.00 0.00 ATOM 304 C VAL 36 18.166 35.107 16.715 1.00 0.00 ATOM 305 N ASP 37 17.422 35.253 17.799 1.00 0.00 ATOM 306 CA ASP 37 16.570 36.431 17.979 1.00 0.00 ATOM 307 CB ASP 37 15.094 36.034 18.053 1.00 0.00 ATOM 308 CG ASP 37 14.134 37.208 18.191 1.00 0.00 ATOM 309 OD1 ASP 37 14.596 38.311 18.363 1.00 0.00 ATOM 310 OD2 ASP 37 12.961 37.020 17.966 1.00 0.00 ATOM 311 O ASP 37 17.281 36.495 20.280 1.00 0.00 ATOM 312 C ASP 37 17.036 37.127 19.259 1.00 0.00 ATOM 313 N VAL 38 17.300 38.427 19.117 1.00 0.00 ATOM 314 CA VAL 38 17.727 39.258 20.253 1.00 0.00 ATOM 315 CB VAL 38 19.109 39.902 19.984 1.00 0.00 ATOM 316 CG1 VAL 38 19.593 40.757 21.154 1.00 0.00 ATOM 317 CG2 VAL 38 20.161 38.817 19.752 1.00 0.00 ATOM 318 O VAL 38 16.327 41.133 19.632 1.00 0.00 ATOM 319 C VAL 38 16.689 40.355 20.514 1.00 0.00 ATOM 320 N ASN 39 16.454 40.519 21.806 1.00 0.00 ATOM 321 CA ASN 39 15.585 41.591 22.283 1.00 0.00 ATOM 322 CB ASN 39 14.200 41.058 22.600 1.00 0.00 ATOM 323 CG ASN 39 13.486 40.483 21.409 1.00 0.00 ATOM 324 ND2 ASN 39 13.387 39.178 21.385 1.00 0.00 ATOM 325 OD1 ASN 39 12.965 41.215 20.559 1.00 0.00 ATOM 326 O ASN 39 16.931 41.657 24.261 1.00 0.00 ATOM 327 C ASN 39 16.177 42.274 23.508 1.00 0.00 ATOM 328 N PHE 40 16.017 43.594 23.541 1.00 0.00 ATOM 329 CA PHE 40 16.492 44.369 24.694 1.00 0.00 ATOM 330 CB PHE 40 17.621 45.302 24.193 1.00 0.00 ATOM 331 CG PHE 40 18.185 46.202 25.255 1.00 0.00 ATOM 332 CD1 PHE 40 19.108 45.731 26.175 1.00 0.00 ATOM 333 CD2 PHE 40 17.738 47.513 25.351 1.00 0.00 ATOM 334 CE1 PHE 40 19.587 46.573 27.203 1.00 0.00 ATOM 335 CE2 PHE 40 18.201 48.354 26.360 1.00 0.00 ATOM 336 CZ PHE 40 19.128 47.873 27.282 1.00 0.00 ATOM 337 O PHE 40 14.654 45.895 24.567 1.00 0.00 ATOM 338 C PHE 40 15.426 45.279 25.295 1.00 0.00 ATOM 339 N GLN 41 15.418 45.370 26.607 1.00 0.00 ATOM 340 CA GLN 41 14.551 46.328 27.305 1.00 0.00 ATOM 341 CB GLN 41 13.244 45.603 27.635 1.00 0.00 ATOM 342 CG GLN 41 12.207 46.471 28.327 1.00 0.00 ATOM 343 CD GLN 41 10.900 45.738 28.560 1.00 0.00 ATOM 344 OE1 GLN 41 10.762 44.560 28.217 1.00 0.00 ATOM 345 NE2 GLN 41 9.929 46.433 29.141 1.00 0.00 ATOM 346 O GLN 41 15.816 46.073 29.350 1.00 0.00 ATOM 347 C GLN 41 15.220 46.823 28.586 1.00 0.00 ATOM 348 N LEU 42 15.044 48.115 28.792 1.00 0.00 ATOM 349 CA LEU 42 15.631 48.782 29.968 1.00 0.00 ATOM 350 CB LEU 42 16.772 49.712 29.535 1.00 0.00 ATOM 351 CG LEU 42 17.335 50.613 30.641 1.00 0.00 ATOM 352 CD1 LEU 42 18.851 50.691 30.530 1.00 0.00 ATOM 353 CD2 LEU 42 16.716 51.999 30.534 1.00 0.00 ATOM 354 O LEU 42 13.753 50.268 30.193 1.00 0.00 ATOM 355 C LEU 42 14.605 49.578 30.762 1.00 0.00 ATOM 356 N LEU 43 14.745 49.479 32.071 1.00 0.00 ATOM 357 CA LEU 43 13.817 50.142 32.992 1.00 0.00 ATOM 358 CB LEU 43 12.748 49.147 33.462 1.00 0.00 ATOM 359 CG LEU 43 11.794 48.650 32.370 1.00 0.00 ATOM 360 CD1 LEU 43 10.929 47.518 32.906 1.00 0.00 ATOM 361 CD2 LEU 43 10.930 49.804 31.882 1.00 0.00 ATOM 362 O LEU 43 15.369 50.150 34.836 1.00 0.00 ATOM 363 C LEU 43 14.491 50.756 34.220 1.00 0.00 ATOM 364 N GLN 44 14.022 51.941 34.575 1.00 0.00 ATOM 365 CA GLN 44 14.485 52.604 35.802 1.00 0.00 ATOM 366 CB GLN 44 14.200 54.108 35.739 1.00 0.00 ATOM 367 CG GLN 44 14.691 54.884 36.947 1.00 0.00 ATOM 368 CD GLN 44 14.487 56.380 36.795 1.00 0.00 ATOM 369 OE1 GLN 44 13.982 56.851 35.772 1.00 0.00 ATOM 370 NE2 GLN 44 14.884 57.136 37.813 1.00 0.00 ATOM 371 O GLN 44 12.585 51.905 37.140 1.00 0.00 ATOM 372 C GLN 44 13.815 51.985 37.034 1.00 0.00 ATOM 373 N HIS 45 14.654 51.571 37.947 1.00 0.00 ATOM 374 CA HIS 45 14.163 50.978 39.193 1.00 0.00 ATOM 375 CB HIS 45 14.905 49.522 39.210 1.00 0.00 ATOM 376 CG HIS 45 14.487 48.623 40.330 1.00 0.00 ATOM 377 CD2 HIS 45 14.963 48.488 41.588 1.00 0.00 ATOM 378 ND1 HIS 45 13.453 47.716 40.210 1.00 0.00 ATOM 379 CE1 HIS 45 13.314 47.062 41.348 1.00 0.00 ATOM 380 NE2 HIS 45 14.217 47.510 42.202 1.00 0.00 ATOM 381 O HIS 45 13.392 51.808 41.310 1.00 0.00 ATOM 382 C HIS 45 14.202 51.921 40.393 1.00 0.00 ATOM 383 N ASP 46 15.064 52.919 40.255 1.00 0.00 ATOM 384 CA ASP 46 15.198 54.030 41.202 1.00 0.00 ATOM 385 CB ASP 46 15.758 53.506 42.528 1.00 0.00 ATOM 386 CG ASP 46 15.489 54.408 43.724 1.00 0.00 ATOM 387 OD1 ASP 46 14.906 55.450 43.539 1.00 0.00 ATOM 388 OD2 ASP 46 15.723 53.981 44.829 1.00 0.00 ATOM 389 O ASP 46 16.472 54.956 39.382 1.00 0.00 ATOM 390 C ASP 46 16.105 55.082 40.553 1.00 0.00 ATOM 391 N GLN 47 16.257 56.217 41.219 1.00 0.00 ATOM 392 CA GLN 47 17.034 57.333 40.655 1.00 0.00 ATOM 393 CB GLN 47 17.156 58.470 41.665 1.00 0.00 ATOM 394 CG GLN 47 15.900 59.280 41.879 1.00 0.00 ATOM 395 CD GLN 47 16.148 60.495 42.774 1.00 0.00 ATOM 396 OE1 GLN 47 16.455 61.587 42.279 1.00 0.00 ATOM 397 NE2 GLN 47 16.010 60.309 44.078 1.00 0.00 ATOM 398 O GLN 47 19.129 56.385 41.280 1.00 0.00 ATOM 399 C GLN 47 18.456 56.837 40.373 1.00 0.00 ATOM 400 N GLU 48 18.838 56.904 39.039 1.00 0.00 ATOM 401 CA GLU 48 20.169 56.470 38.564 1.00 0.00 ATOM 402 CB GLU 48 21.139 57.735 38.775 1.00 0.00 ATOM 403 CG GLU 48 22.466 57.593 38.100 1.00 0.00 ATOM 404 CD GLU 48 23.517 58.610 38.426 1.00 0.00 ATOM 405 OE1 GLU 48 23.441 59.413 39.347 1.00 0.00 ATOM 406 OE2 GLU 48 24.560 58.584 37.665 1.00 0.00 ATOM 407 O GLU 48 21.568 54.499 38.491 1.00 0.00 ATOM 408 C GLU 48 20.466 54.982 38.730 1.00 0.00 ATOM 409 N ASN 49 19.377 54.246 38.900 1.00 0.00 ATOM 410 CA ASN 49 19.463 52.794 39.035 1.00 0.00 ATOM 411 CB ASN 49 18.885 52.338 40.373 1.00 0.00 ATOM 412 CG ASN 49 19.076 50.845 40.612 1.00 0.00 ATOM 413 ND2 ASN 49 19.764 50.504 41.692 1.00 0.00 ATOM 414 OD1 ASN 49 18.605 50.011 39.835 1.00 0.00 ATOM 415 O ASN 49 17.362 52.435 37.897 1.00 0.00 ATOM 416 C ASN 49 18.570 52.188 37.958 1.00 0.00 ATOM 417 N GLN 50 19.220 51.463 37.066 1.00 0.00 ATOM 418 CA GLN 50 18.526 50.887 35.900 1.00 0.00 ATOM 419 CB GLN 50 18.989 51.573 34.613 1.00 0.00 ATOM 420 CG GLN 50 18.669 53.057 34.548 1.00 0.00 ATOM 421 CD GLN 50 19.377 53.753 33.402 1.00 0.00 ATOM 422 OE1 GLN 50 20.192 53.149 32.698 1.00 0.00 ATOM 423 NE2 GLN 50 19.075 55.031 33.209 1.00 0.00 ATOM 424 O GLN 50 19.842 48.869 36.082 1.00 0.00 ATOM 425 C GLN 50 18.768 49.384 35.785 1.00 0.00 ATOM 426 N VAL 51 17.738 48.756 35.264 1.00 0.00 ATOM 427 CA VAL 51 17.817 47.337 34.913 1.00 0.00 ATOM 428 CB VAL 51 16.633 46.539 35.479 1.00 0.00 ATOM 429 CG1 VAL 51 16.757 45.053 35.149 1.00 0.00 ATOM 430 CG2 VAL 51 16.643 46.656 36.968 1.00 0.00 ATOM 431 O VAL 51 16.963 47.758 32.718 1.00 0.00 ATOM 432 C VAL 51 17.848 47.226 33.400 1.00 0.00 ATOM 433 N THR 52 18.727 46.354 32.972 1.00 0.00 ATOM 434 CA THR 52 18.780 46.031 31.543 1.00 0.00 ATOM 435 CB THR 52 20.174 46.348 30.986 1.00 0.00 ATOM 436 CG2 THR 52 20.250 45.959 29.517 1.00 0.00 ATOM 437 OG1 THR 52 20.387 47.755 31.096 1.00 0.00 ATOM 438 O THR 52 19.172 43.737 32.127 1.00 0.00 ATOM 439 C THR 52 18.570 44.529 31.396 1.00 0.00 ATOM 440 N SER 53 17.680 44.186 30.512 1.00 0.00 ATOM 441 CA SER 53 17.418 42.777 30.242 1.00 0.00 ATOM 442 CB SER 53 15.994 42.424 30.624 1.00 0.00 ATOM 443 OG SER 53 15.680 41.094 30.313 1.00 0.00 ATOM 444 O SER 53 17.355 43.219 27.877 1.00 0.00 ATOM 445 C SER 53 17.759 42.477 28.789 1.00 0.00 ATOM 446 N LEU 54 18.489 41.431 28.590 1.00 0.00 ATOM 447 CA LEU 54 18.809 40.990 27.232 1.00 0.00 ATOM 448 CB LEU 54 20.328 40.958 27.025 1.00 0.00 ATOM 449 CG LEU 54 20.786 40.607 25.604 1.00 0.00 ATOM 450 CD1 LEU 54 20.208 41.604 24.608 1.00 0.00 ATOM 451 CD2 LEU 54 22.307 40.606 25.545 1.00 0.00 ATOM 452 O LEU 54 18.464 38.684 27.826 1.00 0.00 ATOM 453 C LEU 54 18.192 39.606 27.059 1.00 0.00 ATOM 454 N ILE 55 17.301 39.506 26.076 1.00 0.00 ATOM 455 CA ILE 55 16.668 38.217 25.778 1.00 0.00 ATOM 456 CB ILE 55 15.171 38.407 25.606 1.00 0.00 ATOM 457 CG1 ILE 55 14.501 39.058 26.833 1.00 0.00 ATOM 458 CG2 ILE 55 14.514 37.093 25.244 1.00 0.00 ATOM 459 CD1 ILE 55 13.100 39.625 26.529 1.00 0.00 ATOM 460 O ILE 55 17.341 38.309 23.470 1.00 0.00 ATOM 461 C ILE 55 17.322 37.665 24.519 1.00 0.00 ATOM 462 N VAL 56 17.862 36.463 24.688 1.00 0.00 ATOM 463 CA VAL 56 18.466 35.746 23.562 1.00 0.00 ATOM 464 CB VAL 56 19.941 35.396 23.832 1.00 0.00 ATOM 465 CG1 VAL 56 20.562 34.628 22.655 1.00 0.00 ATOM 466 CG2 VAL 56 20.747 36.677 24.019 1.00 0.00 ATOM 467 O VAL 56 17.569 33.602 24.165 1.00 0.00 ATOM 468 C VAL 56 17.697 34.462 23.292 1.00 0.00 ATOM 469 N ILE 57 17.202 34.348 22.079 1.00 0.00 ATOM 470 CA ILE 57 16.435 33.180 21.680 1.00 0.00 ATOM 471 CB ILE 57 15.027 33.569 21.193 1.00 0.00 ATOM 472 CG1 ILE 57 14.240 34.244 22.320 1.00 0.00 ATOM 473 CG2 ILE 57 14.284 32.346 20.678 1.00 0.00 ATOM 474 CD1 ILE 57 12.933 34.857 21.869 1.00 0.00 ATOM 475 O ILE 57 17.483 33.033 19.520 1.00 0.00 ATOM 476 C ILE 57 17.180 32.459 20.568 1.00 0.00 ATOM 477 N LEU 58 17.386 31.170 20.818 1.00 0.00 ATOM 478 CA LEU 58 18.068 30.305 19.864 1.00 0.00 ATOM 479 CB LEU 58 19.412 29.848 20.445 1.00 0.00 ATOM 480 CG LEU 58 20.412 30.974 20.739 1.00 0.00 ATOM 481 CD1 LEU 58 21.633 30.412 21.455 1.00 0.00 ATOM 482 CD2 LEU 58 20.814 31.651 19.438 1.00 0.00 ATOM 483 O LEU 58 16.597 28.448 20.339 1.00 0.00 ATOM 484 C LEU 58 17.205 29.096 19.498 1.00 0.00 ATOM 485 N SER 59 17.062 28.910 18.192 1.00 0.00 ATOM 486 CA SER 59 16.297 27.778 17.648 1.00 0.00 ATOM 487 CB SER 59 15.049 28.282 16.950 1.00 0.00 ATOM 488 OG SER 59 14.305 27.237 16.385 1.00 0.00 ATOM 489 O SER 59 17.762 27.559 15.771 1.00 0.00 ATOM 490 C SER 59 17.196 26.990 16.709 1.00 0.00 ATOM 491 N PHE 60 17.223 25.681 16.924 1.00 0.00 ATOM 492 CA PHE 60 18.031 24.799 16.080 1.00 0.00 ATOM 493 CB PHE 60 19.180 24.184 16.883 1.00 0.00 ATOM 494 CG PHE 60 20.040 25.197 17.583 1.00 0.00 ATOM 495 CD1 PHE 60 19.616 25.791 18.763 1.00 0.00 ATOM 496 CD2 PHE 60 21.273 25.559 17.063 1.00 0.00 ATOM 497 CE1 PHE 60 20.407 26.723 19.408 1.00 0.00 ATOM 498 CE2 PHE 60 22.066 26.489 17.706 1.00 0.00 ATOM 499 CZ PHE 60 21.633 27.073 18.879 1.00 0.00 ATOM 500 O PHE 60 16.481 23.011 16.258 1.00 0.00 ATOM 501 C PHE 60 17.136 23.717 15.497 1.00 0.00 ATOM 502 N MET 61 17.074 23.657 14.174 1.00 0.00 ATOM 503 CA MET 61 16.245 22.652 13.494 1.00 0.00 ATOM 504 CB MET 61 15.107 23.331 12.725 1.00 0.00 ATOM 505 CG MET 61 15.608 24.211 11.570 1.00 0.00 ATOM 506 SD MET 61 14.286 25.128 10.716 1.00 0.00 ATOM 507 CE MET 61 13.818 26.216 12.043 1.00 0.00 ATOM 508 O MET 61 18.043 22.204 11.971 1.00 0.00 ATOM 509 C MET 61 17.067 21.761 12.565 1.00 0.00 ATOM 510 N ILE 62 16.570 20.534 12.431 1.00 0.00 ATOM 511 CA ILE 62 17.144 19.569 11.479 1.00 0.00 ATOM 512 CB ILE 62 16.517 18.173 11.643 1.00 0.00 ATOM 513 CG1 ILE 62 16.917 17.563 12.990 1.00 0.00 ATOM 514 CG2 ILE 62 16.935 17.264 10.498 1.00 0.00 ATOM 515 CD1 ILE 62 16.141 16.317 13.350 1.00 0.00 ATOM 516 O ILE 62 17.822 19.762 9.253 1.00 0.00 ATOM 517 C ILE 62 16.948 20.063 10.052 1.00 0.00 ATOM 518 N VAL 63 15.753 20.592 9.733 1.00 0.00 ATOM 519 CA VAL 63 15.441 21.227 8.431 1.00 0.00 ATOM 520 CB VAL 63 16.528 21.235 7.326 1.00 0.00 ATOM 521 CG1 VAL 63 16.057 21.712 5.956 1.00 0.00 ATOM 522 CG2 VAL 63 17.617 22.225 7.738 1.00 0.00 ATOM 523 O VAL 63 13.473 21.462 7.207 1.00 0.00 ATOM 524 C VAL 63 14.243 20.653 7.725 1.00 0.00 ATOM 525 N PHE 64 14.206 19.334 7.567 1.00 0.00 ATOM 526 CA PHE 64 13.036 18.650 6.961 1.00 0.00 ATOM 527 CB PHE 64 13.717 17.155 6.479 1.00 0.00 ATOM 528 CG PHE 64 15.206 16.995 6.556 1.00 0.00 ATOM 529 CD1 PHE 64 16.033 17.951 6.001 1.00 0.00 ATOM 530 CD2 PHE 64 15.723 15.816 7.084 1.00 0.00 ATOM 531 CE1 PHE 64 17.452 17.819 5.980 1.00 0.00 ATOM 532 CE2 PHE 64 17.123 15.649 7.085 1.00 0.00 ATOM 533 CZ PHE 64 17.950 16.640 6.577 1.00 0.00 ATOM 534 O PHE 64 10.880 18.283 7.932 1.00 0.00 ATOM 535 C PHE 64 11.890 18.990 7.901 1.00 0.00 ATOM 536 N ASP 65 11.950 20.205 8.665 1.00 0.00 ATOM 537 CA ASP 65 10.869 20.744 9.485 1.00 0.00 ATOM 538 CB ASP 65 9.513 20.510 8.858 1.00 0.00 ATOM 539 CG ASP 65 9.331 21.324 7.587 1.00 0.00 ATOM 540 OD1 ASP 65 9.822 22.470 7.451 1.00 0.00 ATOM 541 OD2 ASP 65 8.646 20.736 6.729 1.00 0.00 ATOM 542 O ASP 65 9.979 20.552 11.703 1.00 0.00 ATOM 543 C ASP 65 10.878 20.232 10.921 1.00 0.00 ATOM 544 N LYS 66 11.860 19.471 11.285 1.00 0.00 ATOM 545 CA LYS 66 11.961 18.927 12.633 1.00 0.00 ATOM 546 CB LYS 66 12.065 17.360 12.531 1.00 0.00 ATOM 547 CG LYS 66 11.109 16.674 11.573 1.00 0.00 ATOM 548 CD LYS 66 11.322 15.165 11.621 1.00 0.00 ATOM 549 CE LYS 66 10.515 14.452 10.553 1.00 0.00 ATOM 550 NZ LYS 66 10.981 14.829 9.188 1.00 0.00 ATOM 551 O LYS 66 14.067 19.771 13.380 1.00 0.00 ATOM 552 C LYS 66 12.853 19.756 13.550 1.00 0.00 ATOM 553 N PHE 67 12.247 20.412 14.534 1.00 0.00 ATOM 554 CA PHE 67 12.979 21.288 15.482 1.00 0.00 ATOM 555 CB PHE 67 11.997 22.141 16.288 1.00 0.00 ATOM 556 CG PHE 67 11.354 23.240 15.492 1.00 0.00 ATOM 557 CD1 PHE 67 10.100 23.066 14.927 1.00 0.00 ATOM 558 CD2 PHE 67 12.003 24.452 15.306 1.00 0.00 ATOM 559 CE1 PHE 67 9.508 24.078 14.195 1.00 0.00 ATOM 560 CE2 PHE 67 11.415 25.465 14.576 1.00 0.00 ATOM 561 CZ PHE 67 10.165 25.278 14.019 1.00 0.00 ATOM 562 O PHE 67 13.310 19.820 17.337 1.00 0.00 ATOM 563 C PHE 67 13.834 20.564 16.505 1.00 0.00 ATOM 564 N VAL 68 15.212 20.748 16.414 1.00 0.00 ATOM 565 CA VAL 68 16.117 20.050 17.299 1.00 0.00 ATOM 566 CB VAL 68 17.584 20.339 16.929 1.00 0.00 ATOM 567 CG1 VAL 68 18.518 19.818 18.011 1.00 0.00 ATOM 568 CG2 VAL 68 17.927 19.719 15.584 1.00 0.00 ATOM 569 O VAL 68 15.318 19.773 19.563 1.00 0.00 ATOM 570 C VAL 68 15.858 20.529 18.750 1.00 0.00 ATOM 571 N ILE 69 16.063 21.815 18.976 1.00 0.00 ATOM 572 CA ILE 69 15.943 22.419 20.312 1.00 0.00 ATOM 573 CB ILE 69 17.240 22.294 21.147 1.00 0.00 ATOM 574 CG1 ILE 69 18.447 22.862 20.390 1.00 0.00 ATOM 575 CG2 ILE 69 17.476 20.855 21.611 1.00 0.00 ATOM 576 CD1 ILE 69 19.771 22.930 21.170 1.00 0.00 ATOM 577 O ILE 69 15.775 24.545 19.196 1.00 0.00 ATOM 578 C ILE 69 15.588 23.910 20.221 1.00 0.00 ATOM 579 N SER 70 15.072 24.410 21.333 1.00 0.00 ATOM 580 CA SER 70 14.888 25.854 21.516 1.00 0.00 ATOM 581 CB SER 70 13.425 26.190 21.295 1.00 0.00 ATOM 582 OG SER 70 13.135 27.582 21.460 1.00 0.00 ATOM 583 O SER 70 15.009 25.683 23.911 1.00 0.00 ATOM 584 C SER 70 15.353 26.284 22.901 1.00 0.00 ATOM 585 N GLY 71 16.118 27.365 22.894 1.00 0.00 ATOM 586 CA GLY 71 16.722 27.922 24.104 1.00 0.00 ATOM 587 O GLY 71 17.002 30.195 23.391 1.00 0.00 ATOM 588 C GLY 71 16.482 29.421 24.197 1.00 0.00 ATOM 589 N THR 72 15.809 29.808 25.265 1.00 0.00 ATOM 590 CA THR 72 15.547 31.229 25.554 1.00 0.00 ATOM 591 CB THR 72 14.044 31.542 25.432 1.00 0.00 ATOM 592 CG2 THR 72 13.780 33.012 25.719 1.00 0.00 ATOM 593 OG1 THR 72 13.595 31.228 24.107 1.00 0.00 ATOM 594 O THR 72 15.717 30.995 27.976 1.00 0.00 ATOM 595 C THR 72 16.062 31.606 26.960 1.00 0.00 ATOM 596 N ILE 73 16.865 32.676 26.984 1.00 0.00 ATOM 597 CA ILE 73 17.412 33.205 28.239 1.00 0.00 ATOM 598 CB ILE 73 18.931 33.211 28.186 1.00 0.00 ATOM 599 CG1 ILE 73 19.414 31.767 28.292 1.00 0.00 ATOM 600 CG2 ILE 73 19.456 34.037 29.338 1.00 0.00 ATOM 601 CD1 ILE 73 20.908 31.620 28.223 1.00 0.00 ATOM 602 O ILE 73 17.373 35.441 27.344 1.00 0.00 ATOM 603 C ILE 73 17.111 34.710 28.297 1.00 0.00 ATOM 604 N SER 74 16.747 35.124 29.506 1.00 0.00 ATOM 605 CA SER 74 16.585 36.533 29.852 1.00 0.00 ATOM 606 CB SER 74 15.171 36.794 30.333 1.00 0.00 ATOM 607 OG SER 74 14.981 38.128 30.711 1.00 0.00 ATOM 608 O SER 74 17.566 36.360 32.047 1.00 0.00 ATOM 609 C SER 74 17.637 36.831 30.906 1.00 0.00 ATOM 610 N GLN 75 18.748 37.355 30.408 1.00 0.00 ATOM 611 CA GLN 75 19.838 37.770 31.296 1.00 0.00 ATOM 612 CB GLN 75 21.193 37.601 30.603 1.00 0.00 ATOM 613 CG GLN 75 22.333 38.349 31.273 1.00 0.00 ATOM 614 CD GLN 75 22.810 37.662 32.540 1.00 0.00 ATOM 615 OE1 GLN 75 22.991 36.442 32.570 1.00 0.00 ATOM 616 NE2 GLN 75 23.010 38.443 33.594 1.00 0.00 ATOM 617 O GLN 75 19.425 40.101 30.839 1.00 0.00 ATOM 618 C GLN 75 19.585 39.207 31.690 1.00 0.00 ATOM 619 N VAL 76 19.612 39.467 32.996 1.00 0.00 ATOM 620 CA VAL 76 19.322 40.765 33.553 1.00 0.00 ATOM 621 CB VAL 76 18.148 40.583 34.541 1.00 0.00 ATOM 622 CG1 VAL 76 17.765 41.827 35.332 1.00 0.00 ATOM 623 CG2 VAL 76 16.908 40.217 33.743 1.00 0.00 ATOM 624 O VAL 76 21.368 40.451 34.788 1.00 0.00 ATOM 625 C VAL 76 20.550 41.242 34.314 1.00 0.00 ATOM 626 N ASN 77 20.531 42.536 34.539 1.00 0.00 ATOM 627 CA ASN 77 21.496 43.177 35.422 1.00 0.00 ATOM 628 CB ASN 77 22.697 43.680 34.633 1.00 0.00 ATOM 629 CG ASN 77 23.746 44.311 35.524 1.00 0.00 ATOM 630 ND2 ASN 77 25.002 43.948 35.305 1.00 0.00 ATOM 631 OD1 ASN 77 23.434 45.125 36.390 1.00 0.00 ATOM 632 O ASN 77 20.102 45.141 35.326 1.00 0.00 ATOM 633 C ASN 77 20.905 44.465 35.973 1.00 0.00 ATOM 634 N HIS 78 21.343 44.739 37.193 1.00 0.00 ATOM 635 CA HIS 78 21.001 45.956 37.933 1.00 0.00 ATOM 636 CB HIS 78 20.557 45.493 39.319 1.00 0.00 ATOM 637 CG HIS 78 19.166 44.861 39.412 1.00 0.00 ATOM 638 CD2 HIS 78 18.471 44.185 38.510 1.00 0.00 ATOM 639 ND1 HIS 78 18.448 44.851 40.528 1.00 0.00 ATOM 640 CE1 HIS 78 17.328 44.162 40.313 1.00 0.00 ATOM 641 NE2 HIS 78 17.313 43.784 39.042 1.00 0.00 ATOM 642 O HIS 78 23.275 46.400 38.561 1.00 0.00 ATOM 643 C HIS 78 22.250 46.821 38.024 1.00 0.00 ATOM 644 N ILE 79 22.185 48.053 37.488 1.00 0.00 ATOM 645 CA ILE 79 23.303 48.972 37.427 1.00 0.00 ATOM 646 CB ILE 79 23.641 49.285 35.959 1.00 0.00 ATOM 647 CG1 ILE 79 22.529 50.125 35.322 1.00 0.00 ATOM 648 CG2 ILE 79 23.852 47.998 35.175 1.00 0.00 ATOM 649 CD1 ILE 79 22.936 50.801 34.033 1.00 0.00 ATOM 650 O ILE 79 21.984 50.900 37.980 1.00 0.00 ATOM 651 C ILE 79 23.031 50.279 38.170 1.00 0.00 ATOM 652 N ASP 80 24.090 50.747 38.819 1.00 0.00 ATOM 653 CA ASP 80 24.097 52.018 39.564 1.00 0.00 ATOM 654 CB ASP 80 23.350 51.868 40.892 1.00 0.00 ATOM 655 CG ASP 80 22.927 53.184 41.528 1.00 0.00 ATOM 656 OD1 ASP 80 23.150 54.210 40.929 1.00 0.00 ATOM 657 OD2 ASP 80 22.248 53.147 42.526 1.00 0.00 ATOM 658 O ASP 80 26.469 51.686 39.883 1.00 0.00 ATOM 659 C ASP 80 25.532 52.485 39.787 1.00 0.00 ATOM 660 N GLY 81 25.646 53.816 39.842 1.00 0.00 ATOM 661 CA GLY 81 26.900 54.439 40.266 1.00 0.00 ATOM 662 O GLY 81 28.762 55.520 39.279 1.00 0.00 ATOM 663 C GLY 81 27.742 54.863 39.089 1.00 0.00 ATOM 664 N ARG 82 27.367 54.435 37.860 1.00 0.00 ATOM 665 CA ARG 82 28.138 54.860 36.714 1.00 0.00 ATOM 666 CB ARG 82 27.640 54.133 35.474 1.00 0.00 ATOM 667 CG ARG 82 28.408 54.443 34.199 1.00 0.00 ATOM 668 CD ARG 82 27.907 53.731 32.994 1.00 0.00 ATOM 669 NE ARG 82 28.006 52.283 33.066 1.00 0.00 ATOM 670 CZ ARG 82 29.124 51.578 32.803 1.00 0.00 ATOM 671 NH1 ARG 82 30.227 52.179 32.414 1.00 0.00 ATOM 672 NH2 ARG 82 29.075 50.263 32.920 1.00 0.00 ATOM 673 O ARG 82 27.000 56.996 36.693 1.00 0.00 ATOM 674 C ARG 82 28.059 56.384 36.564 1.00 0.00 ATOM 675 N ILE 83 29.213 56.967 36.297 1.00 0.00 ATOM 676 CA ILE 83 29.305 58.406 36.005 1.00 0.00 ATOM 677 CB ILE 83 30.711 58.972 36.348 1.00 0.00 ATOM 678 CG1 ILE 83 31.073 58.706 37.815 1.00 0.00 ATOM 679 CG2 ILE 83 30.773 60.464 36.034 1.00 0.00 ATOM 680 CD1 ILE 83 30.123 59.321 38.831 1.00 0.00 ATOM 681 O ILE 83 29.572 58.116 33.641 1.00 0.00 ATOM 682 C ILE 83 28.961 58.683 34.547 1.00 0.00 ATOM 683 N VAL 84 28.056 59.635 34.349 1.00 0.00 ATOM 684 CA VAL 84 27.654 60.003 32.995 1.00 0.00 ATOM 685 CB VAL 84 26.611 59.013 32.442 1.00 0.00 ATOM 686 CG1 VAL 84 25.285 59.014 33.224 1.00 0.00 ATOM 687 CG2 VAL 84 26.348 59.289 30.967 1.00 0.00 ATOM 688 O VAL 84 26.508 61.890 33.994 1.00 0.00 ATOM 689 C VAL 84 27.095 61.437 33.010 1.00 0.00 ATOM 690 N ASN 85 27.242 62.079 31.866 1.00 0.00 ATOM 691 CA ASN 85 26.666 63.408 31.629 1.00 0.00 ATOM 692 CB ASN 85 27.747 64.465 31.495 1.00 0.00 ATOM 693 CG ASN 85 28.586 64.633 32.731 1.00 0.00 ATOM 694 ND2 ASN 85 29.849 64.317 32.605 1.00 0.00 ATOM 695 OD1 ASN 85 28.110 65.114 33.767 1.00 0.00 ATOM 696 O ASN 85 25.871 62.585 29.521 1.00 0.00 ATOM 697 C ASN 85 25.776 63.449 30.385 1.00 0.00 ATOM 698 N GLU 86 24.816 64.368 30.424 1.00 0.00 ATOM 699 CA GLU 86 23.855 64.660 29.352 1.00 0.00 ATOM 700 CB GLU 86 24.518 65.991 28.626 1.00 0.00 ATOM 701 CG GLU 86 25.300 66.917 29.546 1.00 0.00 ATOM 702 CD GLU 86 25.867 68.113 28.824 1.00 0.00 ATOM 703 OE1 GLU 86 26.317 67.976 27.673 1.00 0.00 ATOM 704 OE2 GLU 86 25.901 69.206 29.412 1.00 0.00 ATOM 705 O GLU 86 23.507 62.645 28.076 1.00 0.00 ATOM 706 C GLU 86 23.171 63.334 29.053 1.00 0.00 ATOM 707 N PRO 87 22.194 62.839 29.932 1.00 0.00 ATOM 708 CA PRO 87 21.465 61.607 29.656 1.00 0.00 ATOM 709 CB PRO 87 20.202 61.734 30.481 1.00 0.00 ATOM 710 CG PRO 87 19.988 63.210 30.558 1.00 0.00 ATOM 711 CD PRO 87 21.373 63.742 30.793 1.00 0.00 ATOM 712 O PRO 87 20.828 60.411 27.677 1.00 0.00 ATOM 713 C PRO 87 21.073 61.507 28.184 1.00 0.00 ATOM 714 N SER 88 20.979 62.723 27.518 1.00 0.00 ATOM 715 CA SER 88 20.565 62.750 26.123 1.00 0.00 ATOM 716 CB SER 88 21.186 64.048 25.577 1.00 0.00 ATOM 717 OG SER 88 20.790 64.236 24.203 1.00 0.00 ATOM 718 O SER 88 20.924 60.379 25.683 1.00 0.00 ATOM 719 C SER 88 21.091 61.579 25.318 1.00 0.00 ATOM 720 N GLU 89 21.713 61.715 24.163 1.00 0.00 ATOM 721 CA GLU 89 22.082 60.640 23.254 1.00 0.00 ATOM 722 CB GLU 89 22.509 61.225 21.906 1.00 0.00 ATOM 723 CG GLU 89 21.357 61.711 21.037 1.00 0.00 ATOM 724 CD GLU 89 21.859 62.355 19.775 1.00 0.00 ATOM 725 OE1 GLU 89 23.051 62.475 19.625 1.00 0.00 ATOM 726 OE2 GLU 89 21.058 62.625 18.911 1.00 0.00 ATOM 727 O GLU 89 23.356 58.665 23.597 1.00 0.00 ATOM 728 C GLU 89 23.237 59.860 23.855 1.00 0.00 ATOM 729 N LEU 90 24.044 60.508 24.692 1.00 0.00 ATOM 730 CA LEU 90 25.135 59.828 25.416 1.00 0.00 ATOM 731 CB LEU 90 25.899 60.832 26.290 1.00 0.00 ATOM 732 CG LEU 90 26.762 61.840 25.521 1.00 0.00 ATOM 733 CD1 LEU 90 27.298 62.900 26.474 1.00 0.00 ATOM 734 CD2 LEU 90 27.903 61.110 24.829 1.00 0.00 ATOM 735 O LEU 90 24.901 57.512 26.049 1.00 0.00 ATOM 736 C LEU 90 24.605 58.679 26.270 1.00 0.00 ATOM 737 N ASN 91 23.606 59.041 27.200 1.00 0.00 ATOM 738 CA ASN 91 22.944 58.023 28.022 1.00 0.00 ATOM 739 CB ASN 91 22.045 58.653 29.070 1.00 0.00 ATOM 740 CG ASN 91 21.360 57.655 29.961 1.00 0.00 ATOM 741 ND2 ASN 91 22.116 57.108 30.880 1.00 0.00 ATOM 742 OD1 ASN 91 20.147 57.436 29.866 1.00 0.00 ATOM 743 O ASN 91 22.072 55.807 27.421 1.00 0.00 ATOM 744 C ASN 91 22.152 57.006 27.127 1.00 0.00 ATOM 745 N GLN 92 21.499 57.531 26.095 1.00 0.00 ATOM 746 CA GLN 92 20.734 56.665 25.194 1.00 0.00 ATOM 747 CB GLN 92 20.054 57.447 24.106 1.00 0.00 ATOM 748 CG GLN 92 18.642 57.903 24.470 1.00 0.00 ATOM 749 CD GLN 92 18.152 59.067 23.612 1.00 0.00 ATOM 750 OE1 GLN 92 18.472 60.230 23.876 1.00 0.00 ATOM 751 NE2 GLN 92 17.369 58.755 22.583 1.00 0.00 ATOM 752 O GLN 92 21.318 54.452 24.470 1.00 0.00 ATOM 753 C GLN 92 21.675 55.618 24.612 1.00 0.00 ATOM 754 N GLU 93 22.902 56.035 24.252 1.00 0.00 ATOM 755 CA GLU 93 23.870 55.105 23.699 1.00 0.00 ATOM 756 CB GLU 93 25.069 55.899 23.177 1.00 0.00 ATOM 757 CG GLU 93 24.789 56.703 21.914 1.00 0.00 ATOM 758 CD GLU 93 25.971 57.549 21.533 1.00 0.00 ATOM 759 OE1 GLU 93 26.932 57.558 22.262 1.00 0.00 ATOM 760 OE2 GLU 93 25.959 58.098 20.456 1.00 0.00 ATOM 761 O GLU 93 24.561 52.947 24.446 1.00 0.00 ATOM 762 C GLU 93 24.306 54.112 24.761 1.00 0.00 ATOM 763 N GLU 94 24.425 54.575 26.033 1.00 0.00 ATOM 764 CA GLU 94 24.862 53.727 27.135 1.00 0.00 ATOM 765 CB GLU 94 25.032 54.574 28.398 1.00 0.00 ATOM 766 CG GLU 94 25.563 53.808 29.601 1.00 0.00 ATOM 767 CD GLU 94 25.383 54.591 30.871 1.00 0.00 ATOM 768 OE1 GLU 94 25.874 55.693 30.943 1.00 0.00 ATOM 769 OE2 GLU 94 24.659 54.139 31.727 1.00 0.00 ATOM 770 O GLU 94 24.188 51.436 27.402 1.00 0.00 ATOM 771 C GLU 94 23.831 52.619 27.314 1.00 0.00 ATOM 772 N VAL 95 22.565 52.975 27.347 1.00 0.00 ATOM 773 CA VAL 95 21.526 51.986 27.595 1.00 0.00 ATOM 774 CB VAL 95 20.221 52.678 27.998 1.00 0.00 ATOM 775 CG1 VAL 95 19.037 51.730 27.887 1.00 0.00 ATOM 776 CG2 VAL 95 20.349 53.285 29.378 1.00 0.00 ATOM 777 O VAL 95 21.153 49.917 26.521 1.00 0.00 ATOM 778 C VAL 95 21.347 51.108 26.377 1.00 0.00 ATOM 779 N GLU 96 21.332 51.620 25.079 1.00 0.00 ATOM 780 CA GLU 96 21.080 50.823 23.888 1.00 0.00 ATOM 781 CB GLU 96 20.446 51.818 22.805 1.00 0.00 ATOM 782 CG GLU 96 20.001 51.102 21.550 1.00 0.00 ATOM 783 CD GLU 96 19.081 49.917 21.856 1.00 0.00 ATOM 784 OE1 GLU 96 19.201 48.876 21.163 1.00 0.00 ATOM 785 OE2 GLU 96 18.244 50.032 22.786 1.00 0.00 ATOM 786 O GLU 96 22.101 48.960 22.768 1.00 0.00 ATOM 787 C GLU 96 22.285 50.015 23.374 1.00 0.00 ATOM 788 N THR 97 23.424 50.610 23.504 1.00 0.00 ATOM 789 CA THR 97 24.641 50.093 22.946 1.00 0.00 ATOM 790 CB THR 97 25.500 51.152 22.297 1.00 0.00 ATOM 791 CG2 THR 97 26.707 50.516 21.608 1.00 0.00 ATOM 792 OG1 THR 97 24.707 51.829 21.311 1.00 0.00 ATOM 793 O THR 97 26.001 48.361 23.910 1.00 0.00 ATOM 794 C THR 97 25.661 49.544 23.945 1.00 0.00 ATOM 795 N LEU 98 26.117 50.357 24.861 1.00 0.00 ATOM 796 CA LEU 98 27.108 49.933 25.842 1.00 0.00 ATOM 797 CB LEU 98 27.506 51.110 26.761 1.00 0.00 ATOM 798 CG LEU 98 28.717 50.836 27.666 1.00 0.00 ATOM 799 CD1 LEU 98 29.902 50.483 26.778 1.00 0.00 ATOM 800 CD2 LEU 98 29.038 52.059 28.545 1.00 0.00 ATOM 801 O LEU 98 27.289 47.829 26.976 1.00 0.00 ATOM 802 C LEU 98 26.627 48.853 26.807 1.00 0.00 ATOM 803 N ALA 99 25.453 49.015 27.394 1.00 0.00 ATOM 804 CA ALA 99 24.920 48.016 28.327 1.00 0.00 ATOM 805 CB ALA 99 23.641 48.606 28.929 1.00 0.00 ATOM 806 O ALA 99 24.952 45.630 28.204 1.00 0.00 ATOM 807 C ALA 99 24.657 46.688 27.644 1.00 0.00 ATOM 808 N ARG 100 24.016 46.634 26.428 1.00 0.00 ATOM 809 CA ARG 100 23.710 45.378 25.746 1.00 0.00 ATOM 810 CB ARG 100 22.974 45.722 24.458 1.00 0.00 ATOM 811 CG ARG 100 22.595 44.527 23.599 1.00 0.00 ATOM 812 CD ARG 100 21.931 44.880 22.318 1.00 0.00 ATOM 813 NE ARG 100 22.766 45.629 21.394 1.00 0.00 ATOM 814 CZ ARG 100 23.732 45.088 20.624 1.00 0.00 ATOM 815 NH1 ARG 100 24.013 43.806 20.692 1.00 0.00 ATOM 816 NH2 ARG 100 24.406 45.887 19.816 1.00 0.00 ATOM 817 O ARG 100 25.057 43.429 25.695 1.00 0.00 ATOM 818 C ARG 100 25.024 44.655 25.481 1.00 0.00 ATOM 819 N PRO 101 26.077 45.325 24.992 1.00 0.00 ATOM 820 CA PRO 101 27.386 44.663 24.842 1.00 0.00 ATOM 821 CB PRO 101 28.304 45.848 24.496 1.00 0.00 ATOM 822 CG PRO 101 27.421 46.699 23.632 1.00 0.00 ATOM 823 CD PRO 101 26.056 46.620 24.294 1.00 0.00 ATOM 824 O PRO 101 28.498 42.913 26.062 1.00 0.00 ATOM 825 C PRO 101 27.907 44.009 26.102 1.00 0.00 ATOM 826 N CYS 102 27.686 44.647 27.232 1.00 0.00 ATOM 827 CA CYS 102 28.069 44.039 28.490 1.00 0.00 ATOM 828 CB CYS 102 27.957 45.116 29.693 1.00 0.00 ATOM 829 SG CYS 102 28.513 44.365 31.267 1.00 0.00 ATOM 830 O CYS 102 27.906 41.689 28.957 1.00 0.00 ATOM 831 C CYS 102 27.296 42.734 28.710 1.00 0.00 ATOM 832 N LEU 103 26.016 42.754 28.368 1.00 0.00 ATOM 833 CA LEU 103 25.131 41.578 28.530 1.00 0.00 ATOM 834 CB LEU 103 23.661 42.007 28.460 1.00 0.00 ATOM 835 CG LEU 103 23.133 42.740 29.700 1.00 0.00 ATOM 836 CD1 LEU 103 21.714 43.229 29.453 1.00 0.00 ATOM 837 CD2 LEU 103 23.183 41.807 30.902 1.00 0.00 ATOM 838 O LEU 103 25.075 39.275 27.851 1.00 0.00 ATOM 839 C LEU 103 25.329 40.433 27.525 1.00 0.00 ATOM 840 N ASN 104 25.746 40.767 26.303 1.00 0.00 ATOM 841 CA ASN 104 25.861 39.772 25.220 1.00 0.00 ATOM 842 CB ASN 104 26.218 40.429 23.899 1.00 0.00 ATOM 843 CG ASN 104 26.346 39.460 22.756 1.00 0.00 ATOM 844 ND2 ASN 104 25.217 39.028 22.254 1.00 0.00 ATOM 845 OD1 ASN 104 27.450 39.164 22.286 1.00 0.00 ATOM 846 O ASN 104 26.679 37.514 25.283 1.00 0.00 ATOM 847 C ASN 104 26.880 38.695 25.576 1.00 0.00 ATOM 848 N MET 105 28.015 39.093 26.185 1.00 0.00 ATOM 849 CA MET 105 29.049 38.144 26.572 1.00 0.00 ATOM 850 CB MET 105 30.144 38.741 27.373 1.00 0.00 ATOM 851 CG MET 105 31.154 39.480 26.503 1.00 0.00 ATOM 852 SD MET 105 32.561 40.123 27.430 1.00 0.00 ATOM 853 CE MET 105 32.132 41.849 27.560 1.00 0.00 ATOM 854 O MET 105 28.846 35.944 27.504 1.00 0.00 ATOM 855 C MET 105 28.521 37.122 27.588 1.00 0.00 ATOM 856 N LEU 106 27.674 37.621 28.479 1.00 0.00 ATOM 857 CA LEU 106 27.042 36.799 29.530 1.00 0.00 ATOM 858 CB LEU 106 26.207 37.683 30.465 1.00 0.00 ATOM 859 CG LEU 106 27.015 38.622 31.368 1.00 0.00 ATOM 860 CD1 LEU 106 26.079 39.572 32.105 1.00 0.00 ATOM 861 CD2 LEU 106 27.836 37.802 32.353 1.00 0.00 ATOM 862 O LEU 106 26.220 34.560 29.331 1.00 0.00 ATOM 863 C LEU 106 26.145 35.722 28.938 1.00 0.00 ATOM 864 N ASN 107 25.285 36.066 27.965 1.00 0.00 ATOM 865 CA ASN 107 24.396 35.099 27.341 1.00 0.00 ATOM 866 CB ASN 107 23.414 35.806 26.424 1.00 0.00 ATOM 867 CG ASN 107 22.309 36.519 27.153 1.00 0.00 ATOM 868 ND2 ASN 107 22.415 37.822 27.204 1.00 0.00 ATOM 869 OD1 ASN 107 21.336 35.903 27.602 1.00 0.00 ATOM 870 O ASN 107 24.750 32.854 26.603 1.00 0.00 ATOM 871 C ASN 107 25.121 34.029 26.543 1.00 0.00 ATOM 872 N ARG 108 26.169 34.425 25.814 1.00 0.00 ATOM 873 CA ARG 108 26.938 33.460 25.038 1.00 0.00 ATOM 874 CB ARG 108 28.051 34.119 24.274 1.00 0.00 ATOM 875 CG ARG 108 28.833 33.170 23.391 1.00 0.00 ATOM 876 CD ARG 108 30.322 33.413 23.517 1.00 0.00 ATOM 877 NE ARG 108 30.679 34.813 23.299 1.00 0.00 ATOM 878 CZ ARG 108 31.904 35.297 23.469 1.00 0.00 ATOM 879 NH1 ARG 108 32.886 34.492 23.856 1.00 0.00 ATOM 880 NH2 ARG 108 32.150 36.582 23.259 1.00 0.00 ATOM 881 O ARG 108 27.436 31.222 25.757 1.00 0.00 ATOM 882 C ARG 108 27.568 32.428 25.977 1.00 0.00 ATOM 883 N LEU 109 28.202 32.872 27.053 1.00 0.00 ATOM 884 CA LEU 109 28.845 31.949 27.998 1.00 0.00 ATOM 885 CB LEU 109 29.652 32.757 29.022 1.00 0.00 ATOM 886 CG LEU 109 30.908 33.440 28.470 1.00 0.00 ATOM 887 CD1 LEU 109 31.514 34.352 29.528 1.00 0.00 ATOM 888 CD2 LEU 109 31.911 32.385 28.030 1.00 0.00 ATOM 889 O LEU 109 28.055 29.815 28.880 1.00 0.00 ATOM 890 C LEU 109 27.825 31.014 28.722 1.00 0.00 ATOM 891 N THR 110 26.700 31.620 29.152 1.00 0.00 ATOM 892 CA THR 110 25.652 30.882 29.811 1.00 0.00 ATOM 893 CB THR 110 24.488 31.795 30.236 1.00 0.00 ATOM 894 CG2 THR 110 23.388 30.984 30.904 1.00 0.00 ATOM 895 OG1 THR 110 24.967 32.790 31.151 1.00 0.00 ATOM 896 O THR 110 24.889 28.658 29.344 1.00 0.00 ATOM 897 C THR 110 25.072 29.793 28.911 1.00 0.00 ATOM 898 N TYR 111 24.795 30.124 27.677 1.00 0.00 ATOM 899 CA TYR 111 24.263 29.145 26.741 1.00 0.00 ATOM 900 CB TYR 111 23.851 29.850 25.449 1.00 0.00 ATOM 901 CG TYR 111 23.296 28.845 24.445 1.00 0.00 ATOM 902 CD1 TYR 111 21.994 28.391 24.546 1.00 0.00 ATOM 903 CD2 TYR 111 24.102 28.392 23.413 1.00 0.00 ATOM 904 CE1 TYR 111 21.507 27.495 23.595 1.00 0.00 ATOM 905 CE2 TYR 111 23.616 27.506 22.452 1.00 0.00 ATOM 906 CZ TYR 111 22.313 27.053 22.563 1.00 0.00 ATOM 907 OH TYR 111 21.868 26.065 21.750 1.00 0.00 ATOM 908 O TYR 111 25.005 26.889 26.362 1.00 0.00 ATOM 909 C TYR 111 25.322 28.077 26.456 1.00 0.00 ATOM 910 N GLU 112 26.572 28.520 26.307 1.00 0.00 ATOM 911 CA GLU 112 27.661 27.579 26.030 1.00 0.00 ATOM 912 CB GLU 112 28.954 28.361 25.789 1.00 0.00 ATOM 913 CG GLU 112 30.159 27.494 25.452 1.00 0.00 ATOM 914 CD GLU 112 31.372 28.333 25.162 1.00 0.00 ATOM 915 OE1 GLU 112 31.264 29.535 25.207 1.00 0.00 ATOM 916 OE2 GLU 112 32.432 27.775 25.006 1.00 0.00 ATOM 917 O GLU 112 28.120 25.412 26.969 1.00 0.00 ATOM 918 C GLU 112 27.853 26.587 27.182 1.00 0.00 ATOM 919 N VAL 113 27.683 27.076 28.418 1.00 0.00 ATOM 920 CA VAL 113 27.768 26.213 29.614 1.00 0.00 ATOM 921 CB VAL 113 27.632 27.031 30.912 1.00 0.00 ATOM 922 CG1 VAL 113 27.537 26.108 32.117 1.00 0.00 ATOM 923 CG2 VAL 113 28.807 27.986 31.067 1.00 0.00 ATOM 924 O VAL 113 26.914 23.968 29.813 1.00 0.00 ATOM 925 C VAL 113 26.673 25.147 29.542 1.00 0.00 ATOM 926 N THR 114 25.479 25.550 29.116 1.00 0.00 ATOM 927 CA THR 114 24.351 24.637 28.979 1.00 0.00 ATOM 928 CB THR 114 23.077 25.388 28.621 1.00 0.00 ATOM 929 CG2 THR 114 21.901 24.432 28.500 1.00 0.00 ATOM 930 OG1 THR 114 22.798 26.336 29.658 1.00 0.00 ATOM 931 O THR 114 24.386 22.381 28.147 1.00 0.00 ATOM 932 C THR 114 24.649 23.569 27.935 1.00 0.00 ATOM 933 N GLU 115 25.214 23.979 26.786 1.00 0.00 ATOM 934 CA GLU 115 25.539 23.054 25.713 1.00 0.00 ATOM 935 CB GLU 115 26.015 23.883 24.524 1.00 0.00 ATOM 936 CG GLU 115 26.476 23.001 23.368 1.00 0.00 ATOM 937 CD GLU 115 26.901 23.771 22.127 1.00 0.00 ATOM 938 OE1 GLU 115 27.251 23.063 21.167 1.00 0.00 ATOM 939 OE2 GLU 115 27.083 25.002 22.251 1.00 0.00 ATOM 940 O GLU 115 26.490 20.852 25.778 1.00 0.00 ATOM 941 C GLU 115 26.616 22.039 26.103 1.00 0.00 ATOM 942 N ILE 116 27.650 22.516 26.794 1.00 0.00 ATOM 943 CA ILE 116 28.715 21.609 27.287 1.00 0.00 ATOM 944 CB ILE 116 29.823 22.385 28.021 1.00 0.00 ATOM 945 CG1 ILE 116 30.596 23.269 27.038 1.00 0.00 ATOM 946 CG2 ILE 116 30.765 21.424 28.731 1.00 0.00 ATOM 947 CD1 ILE 116 31.520 24.262 27.706 1.00 0.00 ATOM 948 O ILE 116 28.333 19.378 28.109 1.00 0.00 ATOM 949 C ILE 116 28.086 20.577 28.230 1.00 0.00 ATOM 950 N ALA 117 27.257 21.067 29.154 1.00 0.00 ATOM 951 CA ALA 117 26.597 20.176 30.102 1.00 0.00 ATOM 952 CB ALA 117 25.726 21.018 31.037 1.00 0.00 ATOM 953 O ALA 117 25.914 17.934 29.573 1.00 0.00 ATOM 954 C ALA 117 25.758 19.126 29.366 1.00 0.00 ATOM 955 N LEU 118 25.012 19.577 28.370 1.00 0.00 ATOM 956 CA LEU 118 24.176 18.667 27.565 1.00 0.00 ATOM 957 CB LEU 118 23.120 19.463 26.787 1.00 0.00 ATOM 958 CG LEU 118 22.065 20.167 27.651 1.00 0.00 ATOM 959 CD1 LEU 118 21.150 21.010 26.773 1.00 0.00 ATOM 960 CD2 LEU 118 21.265 19.129 28.423 1.00 0.00 ATOM 961 O LEU 118 24.313 16.911 25.969 1.00 0.00 ATOM 962 C LEU 118 24.927 17.795 26.570 1.00 0.00 ATOM 963 N ASP 119 26.212 18.092 26.335 1.00 0.00 ATOM 964 CA ASP 119 27.072 17.339 25.413 1.00 0.00 ATOM 965 CB ASP 119 27.327 15.913 25.961 1.00 0.00 ATOM 966 CG ASP 119 28.400 15.119 25.258 1.00 0.00 ATOM 967 OD1 ASP 119 29.404 15.720 24.796 1.00 0.00 ATOM 968 OD2 ASP 119 28.228 13.864 25.156 1.00 0.00 ATOM 969 O ASP 119 26.431 16.289 23.286 1.00 0.00 ATOM 970 C ASP 119 26.512 17.331 23.956 1.00 0.00 ATOM 971 N LEU 120 26.136 18.498 23.503 1.00 0.00 ATOM 972 CA LEU 120 25.466 18.642 22.190 1.00 0.00 ATOM 973 CB LEU 120 25.000 20.088 21.982 1.00 0.00 ATOM 974 CG LEU 120 23.480 20.286 21.945 1.00 0.00 ATOM 975 CD1 LEU 120 22.815 19.413 23.000 1.00 0.00 ATOM 976 CD2 LEU 120 23.152 21.754 22.175 1.00 0.00 ATOM 977 O LEU 120 25.922 17.771 19.999 1.00 0.00 ATOM 978 C LEU 120 26.420 18.278 21.018 1.00 0.00 ATOM 979 N PRO 121 27.738 18.425 21.138 1.00 0.00 ATOM 980 CA PRO 121 28.710 18.120 20.068 1.00 0.00 ATOM 981 CB PRO 121 30.089 18.353 20.681 1.00 0.00 ATOM 982 CG PRO 121 29.802 19.504 21.633 1.00 0.00 ATOM 983 CD PRO 121 28.490 19.057 22.245 1.00 0.00 ATOM 984 O PRO 121 28.478 16.397 18.462 1.00 0.00 ATOM 985 C PRO 121 28.625 16.646 19.648 1.00 0.00 ATOM 986 N GLY 122 28.674 15.679 20.588 1.00 0.00 ATOM 987 CA GLY 122 28.570 14.270 20.264 1.00 0.00 ATOM 988 O GLY 122 27.136 12.828 19.015 1.00 0.00 ATOM 989 C GLY 122 27.237 13.867 19.665 1.00 0.00 ATOM 990 N ILE 123 26.153 14.686 19.960 1.00 0.00 ATOM 991 CA ILE 123 24.857 14.347 19.404 1.00 0.00 ATOM 992 CB ILE 123 23.961 14.852 20.570 1.00 0.00 ATOM 993 CG1 ILE 123 22.837 13.901 21.027 1.00 0.00 ATOM 994 CG2 ILE 123 23.359 16.220 20.299 1.00 0.00 ATOM 995 CD1 ILE 123 23.306 12.802 21.967 1.00 0.00 ATOM 996 O ILE 123 23.509 14.964 17.521 1.00 0.00 ATOM 997 C ILE 123 24.635 14.991 18.011 1.00 0.00 ATOM 998 N ASN 124 25.684 15.583 17.415 1.00 0.00 ATOM 999 CA ASN 124 25.682 16.279 16.103 1.00 0.00 ATOM 1000 CB ASN 124 25.237 15.075 15.040 1.00 0.00 ATOM 1001 CG ASN 124 25.636 13.677 15.365 1.00 0.00 ATOM 1002 ND2 ASN 124 24.710 12.736 15.154 1.00 0.00 ATOM 1003 OD1 ASN 124 26.749 13.424 15.793 1.00 0.00 ATOM 1004 O ASN 124 24.441 18.118 15.106 1.00 0.00 ATOM 1005 C ASN 124 25.030 17.671 16.083 1.00 0.00 ATOM 1006 N LEU 125 25.112 18.352 17.211 1.00 0.00 ATOM 1007 CA LEU 125 24.541 19.701 17.319 1.00 0.00 ATOM 1008 CB LEU 125 23.267 19.663 18.190 1.00 0.00 ATOM 1009 CG LEU 125 22.525 20.971 18.466 1.00 0.00 ATOM 1010 CD1 LEU 125 21.913 21.517 17.167 1.00 0.00 ATOM 1011 CD2 LEU 125 21.397 20.630 19.433 1.00 0.00 ATOM 1012 O LEU 125 25.956 20.861 18.858 1.00 0.00 ATOM 1013 C LEU 125 25.657 20.668 17.692 1.00 0.00 ATOM 1014 N GLU 126 26.399 21.048 16.671 1.00 0.00 ATOM 1015 CA GLU 126 27.526 21.958 16.903 1.00 0.00 ATOM 1016 CB GLU 126 28.516 21.894 15.739 1.00 0.00 ATOM 1017 CG GLU 126 29.253 20.567 15.614 1.00 0.00 ATOM 1018 CD GLU 126 30.129 20.543 14.392 1.00 0.00 ATOM 1019 OE1 GLU 126 30.130 21.506 13.665 1.00 0.00 ATOM 1020 OE2 GLU 126 30.881 19.608 14.244 1.00 0.00 ATOM 1021 O GLU 126 27.981 24.263 17.407 1.00 0.00 ATOM 1022 C GLU 126 27.133 23.427 17.114 1.00 0.00 ATOM 1023 N PHE 127 25.849 23.663 16.914 1.00 0.00 ATOM 1024 CA PHE 127 25.239 24.968 17.170 1.00 0.00 ATOM 1025 CB PHE 127 24.451 25.360 15.932 1.00 0.00 ATOM 1026 CG PHE 127 25.315 25.616 14.697 1.00 0.00 ATOM 1027 CD1 PHE 127 26.098 26.752 14.585 1.00 0.00 ATOM 1028 CD2 PHE 127 25.338 24.663 13.700 1.00 0.00 ATOM 1029 CE1 PHE 127 26.923 26.914 13.487 1.00 0.00 ATOM 1030 CE2 PHE 127 26.154 24.805 12.602 1.00 0.00 ATOM 1031 CZ PHE 127 26.957 25.931 12.501 1.00 0.00 ATOM 1032 O PHE 127 24.040 23.850 18.963 1.00 0.00 ATOM 1033 C PHE 127 24.352 24.940 18.431 1.00 0.00 TER END