PFRMAT TS TARGET T0415 AUTHOR 4008-1775-0004 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 Models from our methods or from metaserver results are nearly identical, METHOD there doesn't seem to be much to choose between them METHOD METHOD METHOD Model METHOD 1 try5-opt3 by undertaker METHOD 2 MQAU-opt3 undertaker optimization from metaserver, based on SAM-T08-server_TS1 METHOD 3 try4-opt3 earlier version of try4-opt3 METHOD 4 MQAC1-opt3 undertaker optimization from metaserver, based on MULTICOM-REFINE_TS3 METHOD 5 try3-opt3 METHOD REMARK 6 REMARK 6 T0415 model 4 Tue Jun 3 18:30:51 2008 MODEL 4 PARENT 3bs1_A REMARK 7 REMARK 7 ALLPARENTS 3bs1_A ATOM 1 N GLY 1 33.830 21.964 42.048 1.00 0.00 ATOM 2 CA GLY 1 34.835 22.964 41.625 1.00 0.00 ATOM 3 O GLY 1 34.358 25.255 41.235 1.00 0.00 ATOM 4 C GLY 1 34.206 24.089 40.872 1.00 0.00 ATOM 5 N LYS 2 33.482 23.761 39.785 1.00 0.00 ATOM 6 CA LYS 2 32.877 24.788 38.991 1.00 0.00 ATOM 7 CB LYS 2 32.338 24.232 37.660 1.00 0.00 ATOM 8 CG LYS 2 33.364 23.586 36.726 1.00 0.00 ATOM 9 CD LYS 2 34.554 24.506 36.416 1.00 0.00 ATOM 10 CE LYS 2 35.265 24.095 35.118 1.00 0.00 ATOM 11 NZ LYS 2 36.272 25.110 34.641 1.00 0.00 ATOM 12 O LYS 2 31.061 24.723 40.557 1.00 0.00 ATOM 13 C LYS 2 31.738 25.410 39.792 1.00 0.00 ATOM 14 N SER 3 31.529 26.711 39.615 1.00 0.00 ATOM 15 CA SER 3 30.488 27.385 40.314 1.00 0.00 ATOM 16 CB SER 3 30.439 28.842 39.975 1.00 0.00 ATOM 17 OG SER 3 31.588 29.521 40.444 1.00 0.00 ATOM 18 O SER 3 28.249 26.660 40.818 1.00 0.00 ATOM 19 C SER 3 29.129 26.764 39.963 1.00 0.00 ATOM 20 N VAL 4 28.946 26.411 38.694 1.00 0.00 ATOM 21 CA VAL 4 27.693 25.809 38.252 1.00 0.00 ATOM 22 CB VAL 4 27.695 25.544 36.763 1.00 0.00 ATOM 23 CG1 VAL 4 26.423 24.808 36.364 1.00 0.00 ATOM 24 CG2 VAL 4 27.790 26.872 36.025 1.00 0.00 ATOM 25 O VAL 4 26.637 23.864 39.199 1.00 0.00 ATOM 26 C VAL 4 27.682 24.346 38.771 1.00 0.00 ATOM 27 N VAL 5 28.842 23.569 38.792 1.00 0.00 ATOM 28 CA VAL 5 28.875 22.189 39.289 1.00 0.00 ATOM 29 CB VAL 5 30.265 21.604 39.262 1.00 0.00 ATOM 30 CG1 VAL 5 30.291 20.273 39.999 1.00 0.00 ATOM 31 CG2 VAL 5 30.692 21.420 37.818 1.00 0.00 ATOM 32 O VAL 5 27.676 21.359 41.194 1.00 0.00 ATOM 33 C VAL 5 28.441 22.216 40.750 1.00 0.00 ATOM 34 N THR 6 28.941 23.192 41.502 1.00 0.00 ATOM 35 CA THR 6 28.595 23.307 42.889 1.00 0.00 ATOM 36 CB THR 6 29.686 23.785 43.804 1.00 0.00 ATOM 37 CG2 THR 6 30.837 22.767 43.785 1.00 0.00 ATOM 38 OG1 THR 6 30.135 25.070 43.405 1.00 0.00 ATOM 39 O THR 6 27.653 25.487 43.003 1.00 0.00 ATOM 40 C THR 6 27.507 24.277 43.169 1.00 0.00 ATOM 41 N LEU 7 26.358 23.725 43.584 1.00 0.00 ATOM 42 CA LEU 7 25.202 24.500 43.886 1.00 0.00 ATOM 43 CB LEU 7 23.992 23.646 43.471 1.00 0.00 ATOM 44 CG LEU 7 22.632 24.346 43.435 1.00 0.00 ATOM 45 CD1 LEU 7 21.549 23.353 42.990 1.00 0.00 ATOM 46 CD2 LEU 7 22.300 24.999 44.779 1.00 0.00 ATOM 47 O LEU 7 25.060 23.885 46.170 1.00 0.00 ATOM 48 C LEU 7 25.144 24.795 45.348 1.00 0.00 ATOM 49 N LYS 8 25.205 26.088 45.719 1.00 0.00 ATOM 50 CA LYS 8 25.317 26.394 47.112 1.00 0.00 ATOM 51 CB LYS 8 26.160 27.659 47.276 1.00 0.00 ATOM 52 CG LYS 8 26.216 28.229 48.690 1.00 0.00 ATOM 53 CD LYS 8 26.755 29.660 48.707 1.00 0.00 ATOM 54 CE LYS 8 27.099 30.092 50.133 1.00 0.00 ATOM 55 NZ LYS 8 27.352 31.556 50.279 1.00 0.00 ATOM 56 O LYS 8 23.244 27.598 47.103 1.00 0.00 ATOM 57 C LYS 8 24.015 26.865 47.730 1.00 0.00 ATOM 58 N THR 9 23.804 26.481 48.955 1.00 0.00 ATOM 59 CA THR 9 22.806 27.067 49.807 1.00 0.00 ATOM 60 CB THR 9 21.987 26.025 50.610 1.00 0.00 ATOM 61 CG2 THR 9 21.267 25.031 49.694 1.00 0.00 ATOM 62 OG1 THR 9 22.862 25.234 51.445 1.00 0.00 ATOM 63 O THR 9 24.772 27.654 50.954 1.00 0.00 ATOM 64 C THR 9 23.550 27.781 50.880 1.00 0.00 ATOM 65 N THR 10 22.868 28.574 51.722 1.00 0.00 ATOM 66 CA THR 10 23.619 29.247 52.734 1.00 0.00 ATOM 67 CB THR 10 22.777 30.000 53.722 1.00 0.00 ATOM 68 CG2 THR 10 21.852 30.966 52.962 1.00 0.00 ATOM 69 OG1 THR 10 21.998 29.090 54.483 1.00 0.00 ATOM 70 O THR 10 23.895 27.276 54.074 1.00 0.00 ATOM 71 C THR 10 24.440 28.235 53.527 1.00 0.00 ATOM 72 N ASP 11 25.751 28.450 53.587 1.00 0.00 ATOM 73 CA ASP 11 26.597 27.567 54.301 1.00 0.00 ATOM 74 CB ASP 11 26.454 27.673 55.827 1.00 0.00 ATOM 75 CG ASP 11 27.697 27.064 56.456 1.00 0.00 ATOM 76 OD1 ASP 11 28.383 26.272 55.758 1.00 0.00 ATOM 77 OD2 ASP 11 27.982 27.389 57.641 1.00 0.00 ATOM 78 O ASP 11 26.492 25.265 54.795 1.00 0.00 ATOM 79 C ASP 11 26.437 26.152 53.944 1.00 0.00 ATOM 80 N GLY 12 26.229 25.903 52.655 1.00 0.00 ATOM 81 CA GLY 12 26.057 24.540 52.167 1.00 0.00 ATOM 82 O GLY 12 26.040 25.297 49.927 1.00 0.00 ATOM 83 C GLY 12 26.321 24.393 50.711 1.00 0.00 ATOM 84 N TRP 13 26.884 23.241 50.306 1.00 0.00 ATOM 85 CA TRP 13 27.160 23.065 48.915 1.00 0.00 ATOM 86 CB TRP 13 28.677 23.063 48.712 1.00 0.00 ATOM 87 CG TRP 13 29.277 24.400 48.941 1.00 0.00 ATOM 88 CD1 TRP 13 29.842 24.857 50.099 1.00 0.00 ATOM 89 CD2 TRP 13 29.311 25.488 48.020 1.00 0.00 ATOM 90 CE2 TRP 13 29.928 26.568 48.669 1.00 0.00 ATOM 91 CE3 TRP 13 28.902 25.650 46.693 1.00 0.00 ATOM 92 NE1 TRP 13 30.238 26.158 49.940 1.00 0.00 ATOM 93 CZ2 TRP 13 30.138 27.785 48.054 1.00 0.00 ATOM 94 CZ3 TRP 13 29.103 26.869 46.075 1.00 0.00 ATOM 95 CH2 TRP 13 29.731 27.926 46.753 1.00 0.00 ATOM 96 O TRP 13 26.820 20.704 49.175 1.00 0.00 ATOM 97 C TRP 13 26.678 21.693 48.454 1.00 0.00 ATOM 98 N ILE 14 26.080 21.641 47.268 1.00 0.00 ATOM 99 CA ILE 14 25.597 20.405 46.747 1.00 0.00 ATOM 100 CB ILE 14 24.048 20.286 46.798 1.00 0.00 ATOM 101 CG1 ILE 14 23.622 18.912 46.264 1.00 0.00 ATOM 102 CG2 ILE 14 23.400 21.385 46.071 1.00 0.00 ATOM 103 CD1 ILE 14 22.296 18.465 46.634 1.00 0.00 ATOM 104 O ILE 14 25.973 21.099 44.511 1.00 0.00 ATOM 105 C ILE 14 26.159 20.241 45.372 1.00 0.00 ATOM 106 N PRO 15 26.849 19.159 45.140 1.00 0.00 ATOM 107 CA PRO 15 27.418 18.975 43.833 1.00 0.00 ATOM 108 CB PRO 15 28.490 17.892 44.062 1.00 0.00 ATOM 109 CG PRO 15 27.995 17.113 45.222 1.00 0.00 ATOM 110 CD PRO 15 27.248 18.102 46.093 1.00 0.00 ATOM 111 O PRO 15 25.554 17.665 43.181 1.00 0.00 ATOM 112 C PRO 15 26.405 18.495 42.859 1.00 0.00 ATOM 113 N VAL 16 26.479 19.014 41.637 1.00 0.00 ATOM 114 CA VAL 16 25.543 18.621 40.590 1.00 0.00 ATOM 115 CB VAL 16 24.321 19.600 40.517 1.00 0.00 ATOM 116 CG1 VAL 16 23.638 19.705 41.870 1.00 0.00 ATOM 117 CG2 VAL 16 24.815 20.962 40.062 1.00 0.00 ATOM 118 O VAL 16 27.166 19.242 38.973 1.00 0.00 ATOM 119 C VAL 16 26.295 18.446 39.314 1.00 0.00 ATOM 120 N PRO 17 25.981 17.408 38.600 1.00 0.00 ATOM 121 CA PRO 17 26.641 17.194 37.342 1.00 0.00 ATOM 122 CB PRO 17 26.343 15.748 36.963 1.00 0.00 ATOM 123 CG PRO 17 26.164 15.050 38.323 1.00 0.00 ATOM 124 CD PRO 17 25.643 16.154 39.257 1.00 0.00 ATOM 125 O PRO 17 24.976 18.671 36.447 1.00 0.00 ATOM 126 C PRO 17 26.111 18.207 36.333 1.00 0.00 ATOM 127 N PHE 18 26.934 18.547 35.346 1.00 0.00 ATOM 128 CA PHE 18 26.531 19.487 34.347 1.00 0.00 ATOM 129 CB PHE 18 27.547 19.803 33.313 1.00 0.00 ATOM 130 CG PHE 18 28.567 20.800 33.815 1.00 0.00 ATOM 131 CD1 PHE 18 28.190 22.101 34.135 1.00 0.00 ATOM 132 CD2 PHE 18 29.901 20.422 33.991 1.00 0.00 ATOM 133 CE1 PHE 18 29.120 23.016 34.614 1.00 0.00 ATOM 134 CE2 PHE 18 30.835 21.340 34.475 1.00 0.00 ATOM 135 CZ PHE 18 30.432 22.630 34.790 1.00 0.00 ATOM 136 O PHE 18 24.372 19.567 33.363 1.00 0.00 ATOM 137 C PHE 18 25.401 18.919 33.556 1.00 0.00 ATOM 138 N SER 19 25.578 17.689 33.085 1.00 0.00 ATOM 139 CA SER 19 24.544 17.025 32.300 1.00 0.00 ATOM 140 CB SER 19 24.948 15.667 31.694 1.00 0.00 ATOM 141 OG SER 19 25.081 14.681 32.704 1.00 0.00 ATOM 142 O SER 19 22.220 16.627 32.574 1.00 0.00 ATOM 143 C SER 19 23.308 16.819 33.107 1.00 0.00 ATOM 144 N LYS 20 23.427 16.878 34.435 1.00 0.00 ATOM 145 CA LYS 20 22.273 16.631 35.235 1.00 0.00 ATOM 146 CB LYS 20 22.605 16.603 36.730 1.00 0.00 ATOM 147 CG LYS 20 21.456 16.059 37.565 1.00 0.00 ATOM 148 CD LYS 20 21.916 15.507 38.908 1.00 0.00 ATOM 149 CE LYS 20 20.790 14.838 39.689 1.00 0.00 ATOM 150 NZ LYS 20 21.338 13.749 40.525 1.00 0.00 ATOM 151 O LYS 20 20.065 17.484 35.083 1.00 0.00 ATOM 152 C LYS 20 21.270 17.721 35.005 1.00 0.00 ATOM 153 N VAL 21 21.746 18.947 34.710 1.00 0.00 ATOM 154 CA VAL 21 20.884 20.094 34.584 1.00 0.00 ATOM 155 CB VAL 21 21.598 21.373 34.901 1.00 0.00 ATOM 156 CG1 VAL 21 20.711 22.553 34.498 1.00 0.00 ATOM 157 CG2 VAL 21 21.984 21.368 36.383 1.00 0.00 ATOM 158 O VAL 21 21.146 20.363 32.237 1.00 0.00 ATOM 159 C VAL 21 20.370 20.261 33.187 1.00 0.00 ATOM 160 N MET 22 19.026 20.246 33.025 1.00 0.00 ATOM 161 CA MET 22 18.438 20.563 31.753 1.00 0.00 ATOM 162 CB MET 22 16.925 20.371 31.729 1.00 0.00 ATOM 163 CG MET 22 16.526 18.874 31.825 1.00 0.00 ATOM 164 SD MET 22 14.744 18.691 32.195 1.00 0.00 ATOM 165 CE MET 22 14.075 19.238 30.548 1.00 0.00 ATOM 166 O MET 22 19.167 22.407 30.402 1.00 0.00 ATOM 167 C MET 22 18.640 22.045 31.454 1.00 0.00 ATOM 168 N TYR 23 18.219 22.899 32.382 1.00 0.00 ATOM 169 CA TYR 23 18.364 24.316 32.200 1.00 0.00 ATOM 170 CB TYR 23 17.295 24.921 31.270 1.00 0.00 ATOM 171 CG TYR 23 15.962 24.722 31.900 1.00 0.00 ATOM 172 CD1 TYR 23 15.291 23.530 31.765 1.00 0.00 ATOM 173 CD2 TYR 23 15.383 25.736 32.628 1.00 0.00 ATOM 174 CE1 TYR 23 14.059 23.353 32.351 1.00 0.00 ATOM 175 CE2 TYR 23 14.152 25.567 33.216 1.00 0.00 ATOM 176 CZ TYR 23 13.489 24.372 33.077 1.00 0.00 ATOM 177 OH TYR 23 12.226 24.198 33.680 1.00 0.00 ATOM 178 O TYR 23 18.052 24.420 34.555 1.00 0.00 ATOM 179 C TYR 23 18.323 25.025 33.519 1.00 0.00 ATOM 180 N LEU 24 18.612 26.343 33.504 1.00 0.00 ATOM 181 CA LEU 24 18.531 27.140 34.694 1.00 0.00 ATOM 182 CB LEU 24 19.866 27.858 34.959 1.00 0.00 ATOM 183 CG LEU 24 21.067 26.930 35.203 1.00 0.00 ATOM 184 CD1 LEU 24 22.333 27.771 35.400 1.00 0.00 ATOM 185 CD2 LEU 24 20.761 26.138 36.489 1.00 0.00 ATOM 186 O LEU 24 17.412 28.698 33.298 1.00 0.00 ATOM 187 C LEU 24 17.514 28.195 34.417 1.00 0.00 ATOM 188 N GLU 25 16.723 28.542 35.447 1.00 0.00 ATOM 189 CA GLU 25 15.661 29.498 35.320 1.00 0.00 ATOM 190 CB GLU 25 14.290 28.822 35.513 1.00 0.00 ATOM 191 CG GLU 25 13.075 29.744 35.467 1.00 0.00 ATOM 192 CD GLU 25 11.840 28.876 35.675 1.00 0.00 ATOM 193 OE1 GLU 25 11.951 27.635 35.498 1.00 0.00 ATOM 194 OE2 GLU 25 10.767 29.446 36.006 1.00 0.00 ATOM 195 O GLU 25 16.421 30.222 37.450 1.00 0.00 ATOM 196 C GLU 25 15.849 30.513 36.401 1.00 0.00 ATOM 197 N ALA 26 15.385 31.754 36.156 1.00 0.00 ATOM 198 CA ALA 26 15.530 32.783 37.140 1.00 0.00 ATOM 199 CB ALA 26 15.414 34.211 36.573 1.00 0.00 ATOM 200 O ALA 26 13.261 32.463 37.781 1.00 0.00 ATOM 201 C ALA 26 14.416 32.703 38.127 1.00 0.00 ATOM 202 N LYS 27 14.778 32.897 39.404 1.00 0.00 ATOM 203 CA LYS 27 13.864 32.951 40.501 1.00 0.00 ATOM 204 CB LYS 27 14.289 32.013 41.643 1.00 0.00 ATOM 205 CG LYS 27 13.260 31.883 42.768 1.00 0.00 ATOM 206 CD LYS 27 13.497 30.660 43.658 1.00 0.00 ATOM 207 CE LYS 27 12.706 30.688 44.969 1.00 0.00 ATOM 208 NZ LYS 27 11.250 30.655 44.710 1.00 0.00 ATOM 209 O LYS 27 14.700 35.192 40.441 1.00 0.00 ATOM 210 C LYS 27 13.999 34.374 41.042 1.00 0.00 ATOM 211 N ASP 28 13.349 34.705 42.126 1.00 0.00 ATOM 212 CA ASP 28 13.455 36.041 42.710 1.00 0.00 ATOM 213 CB ASP 28 12.137 36.315 43.509 1.00 0.00 ATOM 214 CG ASP 28 11.993 37.750 44.020 1.00 0.00 ATOM 215 OD1 ASP 28 13.006 38.352 44.393 1.00 0.00 ATOM 216 OD2 ASP 28 10.903 38.341 44.123 1.00 0.00 ATOM 217 O ASP 28 14.959 35.836 44.546 1.00 0.00 ATOM 218 C ASP 28 14.791 36.191 43.378 1.00 0.00 ATOM 219 N LYS 29 15.760 36.723 42.640 1.00 0.00 ATOM 220 CA LYS 29 17.100 36.921 43.182 1.00 0.00 ATOM 221 CB LYS 29 16.566 38.562 43.771 1.00 0.00 ATOM 222 CG LYS 29 15.777 39.388 42.721 1.00 0.00 ATOM 223 CD LYS 29 15.251 40.681 43.279 1.00 0.00 ATOM 224 CE LYS 29 14.390 41.404 42.247 1.00 0.00 ATOM 225 NZ LYS 29 14.324 42.867 42.514 1.00 0.00 ATOM 226 O LYS 29 18.834 35.520 43.979 1.00 0.00 ATOM 227 C LYS 29 17.738 35.606 43.422 1.00 0.00 ATOM 228 N LYS 30 17.059 34.544 43.001 1.00 0.00 ATOM 229 CA LYS 30 17.582 33.195 43.176 1.00 0.00 ATOM 230 CB LYS 30 16.822 32.290 44.166 1.00 0.00 ATOM 231 CG LYS 30 16.907 32.720 45.634 1.00 0.00 ATOM 232 CD LYS 30 15.910 31.981 46.532 1.00 0.00 ATOM 233 CE LYS 30 15.980 32.378 48.008 1.00 0.00 ATOM 234 NZ LYS 30 14.886 31.722 48.758 1.00 0.00 ATOM 235 O LYS 30 16.906 33.162 40.873 1.00 0.00 ATOM 236 C LYS 30 17.482 32.571 41.788 1.00 0.00 ATOM 237 N THR 31 18.042 31.375 41.632 1.00 0.00 ATOM 238 CA THR 31 17.998 30.726 40.394 1.00 0.00 ATOM 239 CB THR 31 19.393 30.441 39.804 1.00 0.00 ATOM 240 CG2 THR 31 19.301 29.683 38.487 1.00 0.00 ATOM 241 OG1 THR 31 20.033 31.695 39.556 1.00 0.00 ATOM 242 O THR 31 17.624 28.838 41.778 1.00 0.00 ATOM 243 C THR 31 17.463 29.362 40.678 1.00 0.00 ATOM 244 N TYR 32 16.777 28.768 39.683 1.00 0.00 ATOM 245 CA TYR 32 16.281 27.432 39.817 1.00 0.00 ATOM 246 CB TYR 32 14.862 27.179 39.272 1.00 0.00 ATOM 247 CG TYR 32 13.782 27.621 40.190 1.00 0.00 ATOM 248 CD1 TYR 32 13.402 28.937 40.270 1.00 0.00 ATOM 249 CD2 TYR 32 13.128 26.682 40.952 1.00 0.00 ATOM 250 CE1 TYR 32 12.388 29.309 41.118 1.00 0.00 ATOM 251 CE2 TYR 32 12.113 27.047 41.802 1.00 0.00 ATOM 252 CZ TYR 32 11.744 28.367 41.886 1.00 0.00 ATOM 253 OH TYR 32 10.704 28.749 42.756 1.00 0.00 ATOM 254 O TYR 32 17.257 26.934 37.726 1.00 0.00 ATOM 255 C TYR 32 17.115 26.611 38.904 1.00 0.00 ATOM 256 N VAL 33 17.691 25.518 39.424 1.00 0.00 ATOM 257 CA VAL 33 18.422 24.668 38.544 1.00 0.00 ATOM 258 CB VAL 33 19.719 24.164 39.126 1.00 0.00 ATOM 259 CG1 VAL 33 19.445 23.200 40.291 1.00 0.00 ATOM 260 CG2 VAL 33 20.556 23.558 37.996 1.00 0.00 ATOM 261 O VAL 33 16.943 22.941 39.225 1.00 0.00 ATOM 262 C VAL 33 17.488 23.531 38.293 1.00 0.00 ATOM 263 N ASN 34 17.226 23.217 37.010 1.00 0.00 ATOM 264 CA ASN 34 16.311 22.146 36.770 1.00 0.00 ATOM 265 CB ASN 34 15.324 22.559 35.685 1.00 0.00 ATOM 266 CG ASN 34 14.274 21.522 35.401 1.00 0.00 ATOM 267 ND2 ASN 34 13.048 22.028 35.191 1.00 0.00 ATOM 268 OD1 ASN 34 14.509 20.298 35.323 1.00 0.00 ATOM 269 O ASN 34 17.583 20.837 35.252 1.00 0.00 ATOM 270 C ASN 34 17.094 20.940 36.376 1.00 0.00 ATOM 271 N ALA 35 17.246 20.006 37.332 1.00 0.00 ATOM 272 CA ALA 35 17.925 18.768 37.105 1.00 0.00 ATOM 273 CB ALA 35 18.453 18.119 38.395 1.00 0.00 ATOM 274 O ALA 35 15.720 18.092 36.566 1.00 0.00 ATOM 275 C ALA 35 16.921 17.826 36.543 1.00 0.00 ATOM 276 N GLU 36 17.389 16.704 35.980 1.00 0.00 ATOM 277 CA GLU 36 16.436 15.794 35.440 1.00 0.00 ATOM 278 CB GLU 36 17.050 14.587 34.812 1.00 0.00 ATOM 279 CG GLU 36 16.224 13.306 34.795 1.00 0.00 ATOM 280 CD GLU 36 16.858 12.207 33.920 1.00 0.00 ATOM 281 OE1 GLU 36 17.097 11.092 34.447 1.00 0.00 ATOM 282 OE2 GLU 36 17.127 12.483 32.724 1.00 0.00 ATOM 283 O GLU 36 14.252 15.529 36.323 1.00 0.00 ATOM 284 C GLU 36 15.460 15.402 36.509 1.00 0.00 ATOM 285 N GLU 37 15.970 14.914 37.658 1.00 0.00 ATOM 286 CA GLU 37 15.122 14.464 38.727 1.00 0.00 ATOM 287 CB GLU 37 15.963 13.591 39.691 1.00 0.00 ATOM 288 CG GLU 37 15.155 12.774 40.677 1.00 0.00 ATOM 289 CD GLU 37 15.949 12.432 41.929 1.00 0.00 ATOM 290 OE1 GLU 37 15.439 12.699 43.054 1.00 0.00 ATOM 291 OE2 GLU 37 17.081 11.917 41.781 1.00 0.00 ATOM 292 O GLU 37 13.247 15.672 39.531 1.00 0.00 ATOM 293 C GLU 37 14.470 15.623 39.423 1.00 0.00 ATOM 294 N LEU 38 15.260 16.606 39.900 1.00 0.00 ATOM 295 CA LEU 38 14.641 17.603 40.731 1.00 0.00 ATOM 296 CB LEU 38 15.174 17.444 42.177 1.00 0.00 ATOM 297 CG LEU 38 14.781 16.196 42.967 1.00 0.00 ATOM 298 CD1 LEU 38 15.555 16.156 44.279 1.00 0.00 ATOM 299 CD2 LEU 38 13.282 16.208 43.228 1.00 0.00 ATOM 300 O LEU 38 16.017 19.160 39.532 1.00 0.00 ATOM 301 C LEU 38 15.207 18.989 40.445 1.00 0.00 ATOM 302 N THR 39 14.780 19.978 41.224 1.00 0.00 ATOM 303 CA THR 39 15.253 21.318 41.040 1.00 0.00 ATOM 304 CB THR 39 14.129 22.345 40.797 1.00 0.00 ATOM 305 CG2 THR 39 12.951 22.109 41.737 1.00 0.00 ATOM 306 OG1 THR 39 14.647 23.668 41.000 1.00 0.00 ATOM 307 O THR 39 15.411 21.323 43.405 1.00 0.00 ATOM 308 C THR 39 15.824 21.771 42.334 1.00 0.00 ATOM 309 N GLY 40 16.792 22.678 42.259 1.00 0.00 ATOM 310 CA GLY 40 17.432 23.204 43.460 1.00 0.00 ATOM 311 O GLY 40 17.611 25.267 42.247 1.00 0.00 ATOM 312 C GLY 40 17.427 24.724 43.337 1.00 0.00 ATOM 313 N THR 41 17.219 25.409 44.458 1.00 0.00 ATOM 314 CA THR 41 17.202 26.813 44.444 1.00 0.00 ATOM 315 CB THR 41 15.995 27.378 45.131 1.00 0.00 ATOM 316 CG2 THR 41 16.074 27.026 46.624 1.00 0.00 ATOM 317 OG1 THR 41 15.931 28.785 44.950 1.00 0.00 ATOM 318 O THR 41 18.824 26.772 46.168 1.00 0.00 ATOM 319 C THR 41 18.429 27.291 45.123 1.00 0.00 ATOM 320 N HIS 42 19.062 28.301 44.535 1.00 0.00 ATOM 321 CA HIS 42 20.281 28.862 45.106 1.00 0.00 ATOM 322 CB HIS 42 21.552 28.168 44.601 1.00 0.00 ATOM 323 CG HIS 42 21.550 28.049 43.109 1.00 0.00 ATOM 324 CD2 HIS 42 22.014 28.896 42.150 1.00 0.00 ATOM 325 ND1 HIS 42 20.999 26.985 42.432 1.00 0.00 ATOM 326 CE1 HIS 42 21.155 27.237 41.110 1.00 0.00 ATOM 327 NE2 HIS 42 21.766 28.384 40.888 1.00 0.00 ATOM 328 O HIS 42 19.586 30.811 43.938 1.00 0.00 ATOM 329 C HIS 42 20.378 30.306 44.734 1.00 0.00 ATOM 330 N LYS 43 21.361 30.993 45.307 1.00 0.00 ATOM 331 CA LYS 43 21.560 32.408 45.021 1.00 0.00 ATOM 332 CB LYS 43 21.990 33.224 46.256 1.00 0.00 ATOM 333 CG LYS 43 20.909 33.405 47.323 1.00 0.00 ATOM 334 CD LYS 43 19.780 34.346 46.907 1.00 0.00 ATOM 335 CE LYS 43 19.891 35.736 47.537 1.00 0.00 ATOM 336 NZ LYS 43 21.183 36.363 47.178 1.00 0.00 ATOM 337 O LYS 43 23.903 32.563 44.541 1.00 0.00 ATOM 338 C LYS 43 22.761 32.587 44.092 1.00 0.00 ATOM 339 N TYR 44 22.490 32.855 42.843 1.00 0.00 ATOM 340 CA TYR 44 23.541 33.109 41.878 1.00 0.00 ATOM 341 CB TYR 44 24.140 31.872 41.186 1.00 0.00 ATOM 342 CG TYR 44 25.204 31.282 42.043 1.00 0.00 ATOM 343 CD1 TYR 44 26.279 32.055 42.418 1.00 0.00 ATOM 344 CD2 TYR 44 25.176 29.962 42.422 1.00 0.00 ATOM 345 CE1 TYR 44 27.291 31.545 43.194 1.00 0.00 ATOM 346 CE2 TYR 44 26.187 29.444 43.196 1.00 0.00 ATOM 347 CZ TYR 44 27.242 30.232 43.587 1.00 0.00 ATOM 348 OH TYR 44 28.272 29.687 44.382 1.00 0.00 ATOM 349 O TYR 44 21.863 34.413 40.851 1.00 0.00 ATOM 350 C TYR 44 23.012 33.971 40.808 1.00 0.00 ATOM 351 N SER 45 23.849 34.234 39.809 1.00 0.00 ATOM 352 CA SER 45 23.447 35.073 38.687 1.00 0.00 ATOM 353 CB SER 45 24.243 36.376 38.645 1.00 0.00 ATOM 354 OG SER 45 25.565 36.135 38.205 1.00 0.00 ATOM 355 O SER 45 24.480 33.465 37.289 1.00 0.00 ATOM 356 C SER 45 23.565 34.275 37.444 1.00 0.00 ATOM 357 N LEU 46 22.631 34.491 36.523 1.00 0.00 ATOM 358 CA LEU 46 22.639 33.771 35.255 1.00 0.00 ATOM 359 CB LEU 46 21.404 34.051 34.379 1.00 0.00 ATOM 360 CG LEU 46 20.079 33.528 34.964 1.00 0.00 ATOM 361 CD1 LEU 46 19.573 34.418 36.107 1.00 0.00 ATOM 362 CD2 LEU 46 19.034 33.296 33.867 1.00 0.00 ATOM 363 O LEU 46 24.374 33.192 33.702 1.00 0.00 ATOM 364 C LEU 46 23.841 34.081 34.368 1.00 0.00 ATOM 365 N GLN 47 24.265 35.340 34.361 1.00 0.00 ATOM 366 CA GLN 47 25.369 35.720 33.577 1.00 0.00 ATOM 367 CB GLN 47 25.737 37.199 33.755 1.00 0.00 ATOM 368 CG GLN 47 26.782 37.690 32.760 1.00 0.00 ATOM 369 CD GLN 47 26.910 39.190 32.952 1.00 0.00 ATOM 370 OE1 GLN 47 26.555 39.735 33.995 1.00 0.00 ATOM 371 NE2 GLN 47 27.427 39.889 31.909 1.00 0.00 ATOM 372 O GLN 47 27.287 34.446 32.994 1.00 0.00 ATOM 373 C GLN 47 26.567 34.887 33.891 1.00 0.00 ATOM 374 N GLU 48 26.798 34.656 35.180 1.00 0.00 ATOM 375 CA GLU 48 27.936 33.853 35.611 1.00 0.00 ATOM 376 CB GLU 48 27.945 33.720 37.142 1.00 0.00 ATOM 377 CG GLU 48 28.997 32.753 37.678 1.00 0.00 ATOM 378 CD GLU 48 30.361 33.396 37.516 1.00 0.00 ATOM 379 OE1 GLU 48 30.567 34.080 36.481 1.00 0.00 ATOM 380 OE2 GLU 48 31.215 33.212 38.423 1.00 0.00 ATOM 381 O GLU 48 28.899 31.900 34.603 1.00 0.00 ATOM 382 C GLU 48 27.885 32.435 35.052 1.00 0.00 ATOM 383 N PHE 49 26.702 31.829 35.080 1.00 0.00 ATOM 384 CA PHE 49 26.547 30.500 34.577 1.00 0.00 ATOM 385 CB PHE 49 25.126 29.918 34.690 1.00 0.00 ATOM 386 CG PHE 49 24.785 29.757 36.129 1.00 0.00 ATOM 387 CD1 PHE 49 25.391 28.787 36.889 1.00 0.00 ATOM 388 CD2 PHE 49 23.833 30.554 36.715 1.00 0.00 ATOM 389 CE1 PHE 49 25.073 28.634 38.218 1.00 0.00 ATOM 390 CE2 PHE 49 23.510 30.405 38.042 1.00 0.00 ATOM 391 CZ PHE 49 24.129 29.442 38.798 1.00 0.00 ATOM 392 O PHE 49 27.423 29.422 32.665 1.00 0.00 ATOM 393 C PHE 49 26.824 30.391 33.131 1.00 0.00 ATOM 394 N GLU 50 26.389 31.399 32.380 1.00 0.00 ATOM 395 CA GLU 50 26.601 31.413 30.938 1.00 0.00 ATOM 396 CB GLU 50 25.981 32.607 30.193 1.00 0.00 ATOM 397 CG GLU 50 26.163 32.519 28.679 1.00 0.00 ATOM 398 CD GLU 50 25.519 33.737 28.038 1.00 0.00 ATOM 399 OE1 GLU 50 24.845 34.514 28.763 1.00 0.00 ATOM 400 OE2 GLU 50 25.696 33.905 26.803 1.00 0.00 ATOM 401 O GLU 50 28.579 30.655 29.848 1.00 0.00 ATOM 402 C GLU 50 28.080 31.424 30.670 1.00 0.00 ATOM 403 N TYR 51 28.797 32.300 31.368 1.00 0.00 ATOM 404 CA TYR 51 30.242 32.400 31.196 1.00 0.00 ATOM 405 CB TYR 51 30.870 33.525 32.034 1.00 0.00 ATOM 406 CG TYR 51 30.647 34.787 31.287 1.00 0.00 ATOM 407 CD1 TYR 51 29.383 35.300 31.127 1.00 0.00 ATOM 408 CD2 TYR 51 31.720 35.465 30.754 1.00 0.00 ATOM 409 CE1 TYR 51 29.188 36.469 30.429 1.00 0.00 ATOM 410 CE2 TYR 51 31.533 36.636 30.057 1.00 0.00 ATOM 411 CZ TYR 51 30.263 37.137 29.894 1.00 0.00 ATOM 412 OH TYR 51 30.061 38.337 29.180 1.00 0.00 ATOM 413 O TYR 51 32.040 30.904 30.890 1.00 0.00 ATOM 414 C TYR 51 31.035 31.209 31.534 1.00 0.00 ATOM 415 N LEU 52 30.597 30.497 32.567 1.00 0.00 ATOM 416 CA LEU 52 31.292 29.292 33.003 1.00 0.00 ATOM 417 CB LEU 52 30.471 28.518 34.059 1.00 0.00 ATOM 418 CG LEU 52 31.141 27.260 34.614 1.00 0.00 ATOM 419 CD1 LEU 52 30.861 27.087 36.071 1.00 0.00 ATOM 420 CD2 LEU 52 30.742 26.010 33.836 1.00 0.00 ATOM 421 O LEU 52 32.701 27.926 31.710 1.00 0.00 ATOM 422 C LEU 52 31.547 28.294 31.932 1.00 0.00 ATOM 423 N LEU 53 30.511 27.832 31.214 1.00 0.00 ATOM 424 CA LEU 53 30.866 26.831 30.262 1.00 0.00 ATOM 425 CB LEU 53 30.358 25.442 30.744 1.00 0.00 ATOM 426 CG LEU 53 30.960 24.215 30.058 1.00 0.00 ATOM 427 CD1 LEU 53 32.446 24.141 30.389 1.00 0.00 ATOM 428 CD2 LEU 53 30.254 22.947 30.517 1.00 0.00 ATOM 429 O LEU 53 29.219 27.194 28.533 1.00 0.00 ATOM 430 C LEU 53 30.395 27.209 28.897 1.00 0.00 ATOM 431 N PRO 54 31.395 27.580 28.172 1.00 0.00 ATOM 432 CA PRO 54 31.231 28.003 26.814 1.00 0.00 ATOM 433 CB PRO 54 32.687 28.420 26.443 1.00 0.00 ATOM 434 CG PRO 54 33.436 27.275 27.049 1.00 0.00 ATOM 435 CD PRO 54 32.759 27.096 28.412 1.00 0.00 ATOM 436 O PRO 54 30.577 25.785 26.351 1.00 0.00 ATOM 437 C PRO 54 30.987 26.863 25.919 1.00 0.00 ATOM 438 N LYS 55 31.236 27.076 24.631 1.00 0.00 ATOM 439 CA LYS 55 31.037 26.027 23.639 1.00 0.00 ATOM 440 CB LYS 55 32.398 25.308 23.342 1.00 0.00 ATOM 441 CG LYS 55 33.424 26.167 22.591 1.00 0.00 ATOM 442 CD LYS 55 34.772 25.447 22.392 1.00 0.00 ATOM 443 CE LYS 55 35.479 25.167 23.726 1.00 0.00 ATOM 444 NZ LYS 55 36.873 24.628 23.591 1.00 0.00 ATOM 445 O LYS 55 29.183 24.615 23.258 1.00 0.00 ATOM 446 C LYS 55 29.598 25.724 23.583 1.00 0.00 ATOM 447 N ASP 56 28.791 26.741 23.885 1.00 0.00 ATOM 448 CA ASP 56 27.383 26.567 23.834 1.00 0.00 ATOM 449 CB ASP 56 26.922 26.209 22.446 1.00 0.00 ATOM 450 CG ASP 56 27.056 27.394 21.497 1.00 0.00 ATOM 451 OD1 ASP 56 26.794 28.537 21.935 1.00 0.00 ATOM 452 OD2 ASP 56 27.410 27.188 20.318 1.00 0.00 ATOM 453 O ASP 56 25.925 24.951 24.701 1.00 0.00 ATOM 454 C ASP 56 26.996 25.539 24.826 1.00 0.00 ATOM 455 N SER 57 27.812 25.329 25.874 1.00 0.00 ATOM 456 CA SER 57 27.330 24.412 26.856 1.00 0.00 ATOM 457 CB SER 57 28.342 24.126 27.970 1.00 0.00 ATOM 458 OG SER 57 27.759 23.241 28.912 1.00 0.00 ATOM 459 O SER 57 25.022 24.729 27.269 1.00 0.00 ATOM 460 C SER 57 26.172 25.098 27.491 1.00 0.00 ATOM 461 N PHE 58 26.450 26.177 28.249 1.00 0.00 ATOM 462 CA PHE 58 25.378 26.910 28.844 1.00 0.00 ATOM 463 CB PHE 58 25.644 27.442 30.264 1.00 0.00 ATOM 464 CG PHE 58 25.713 26.301 31.219 1.00 0.00 ATOM 465 CD1 PHE 58 24.561 25.710 31.690 1.00 0.00 ATOM 466 CD2 PHE 58 26.927 25.833 31.661 1.00 0.00 ATOM 467 CE1 PHE 58 24.621 24.662 32.576 1.00 0.00 ATOM 468 CE2 PHE 58 26.992 24.785 32.547 1.00 0.00 ATOM 469 CZ PHE 58 25.839 24.196 33.008 1.00 0.00 ATOM 470 O PHE 58 26.166 28.877 27.720 1.00 0.00 ATOM 471 C PHE 58 25.210 28.137 27.954 1.00 0.00 ATOM 472 N ILE 59 24.009 28.321 27.416 1.00 0.00 ATOM 473 CA ILE 59 23.759 29.425 26.584 1.00 0.00 ATOM 474 CB ILE 59 23.601 28.985 25.077 1.00 0.00 ATOM 475 CG1 ILE 59 23.589 30.206 24.147 1.00 0.00 ATOM 476 CG2 ILE 59 22.343 28.187 24.907 1.00 0.00 ATOM 477 CD1 ILE 59 23.810 29.872 22.699 1.00 0.00 ATOM 478 O ILE 59 21.578 29.524 27.490 1.00 0.00 ATOM 479 C ILE 59 22.566 30.138 27.084 1.00 0.00 ATOM 480 N ARG 60 22.637 31.465 27.073 1.00 0.00 ATOM 481 CA ARG 60 21.525 32.284 27.539 1.00 0.00 ATOM 482 CB ARG 60 21.952 33.681 28.039 1.00 0.00 ATOM 483 CG ARG 60 20.768 34.571 28.426 1.00 0.00 ATOM 484 CD ARG 60 21.144 35.933 29.021 1.00 0.00 ATOM 485 NE ARG 60 21.356 35.758 30.485 1.00 0.00 ATOM 486 CZ ARG 60 21.396 36.845 31.312 1.00 0.00 ATOM 487 NH1 ARG 60 21.228 38.102 30.811 1.00 0.00 ATOM 488 NH2 ARG 60 21.613 36.685 32.649 1.00 0.00 ATOM 489 O ARG 60 20.528 33.328 25.622 1.00 0.00 ATOM 490 C ARG 60 20.477 32.406 26.437 1.00 0.00 ATOM 491 N CYS 61 19.528 31.475 26.414 1.00 0.00 ATOM 492 CA CYS 61 18.502 31.503 25.426 1.00 0.00 ATOM 493 CB CYS 61 17.795 30.148 25.349 1.00 0.00 ATOM 494 SG CYS 61 18.911 28.854 24.824 1.00 0.00 ATOM 495 O CYS 61 16.950 33.156 24.762 1.00 0.00 ATOM 496 C CYS 61 17.539 32.591 25.684 1.00 0.00 ATOM 497 N HIS 62 17.355 32.911 26.961 1.00 0.00 ATOM 498 CA HIS 62 16.432 33.971 27.348 1.00 0.00 ATOM 499 CB HIS 62 15.127 33.404 27.934 1.00 0.00 ATOM 500 CG HIS 62 14.045 34.420 28.134 1.00 0.00 ATOM 501 CD2 HIS 62 12.995 34.729 27.327 1.00 0.00 ATOM 502 ND1 HIS 62 13.936 35.245 29.232 1.00 0.00 ATOM 503 CE1 HIS 62 12.832 36.011 29.032 1.00 0.00 ATOM 504 NE2 HIS 62 12.229 35.734 27.891 1.00 0.00 ATOM 505 O HIS 62 17.933 34.174 29.188 1.00 0.00 ATOM 506 C HIS 62 17.086 34.745 28.502 1.00 0.00 ATOM 507 N ARG 63 16.608 35.909 28.695 1.00 0.00 ATOM 508 CA ARG 63 17.215 36.711 29.759 1.00 0.00 ATOM 509 CB ARG 63 16.522 38.052 30.044 1.00 0.00 ATOM 510 CG ARG 63 16.563 39.044 28.883 1.00 0.00 ATOM 511 CD ARG 63 16.194 40.463 29.317 1.00 0.00 ATOM 512 NE ARG 63 17.210 40.861 30.330 1.00 0.00 ATOM 513 CZ ARG 63 17.356 42.163 30.713 1.00 0.00 ATOM 514 NH1 ARG 63 16.553 43.133 30.184 1.00 0.00 ATOM 515 NH2 ARG 63 18.309 42.493 31.631 1.00 0.00 ATOM 516 O ARG 63 17.842 36.139 32.003 1.00 0.00 ATOM 517 C ARG 63 17.021 36.002 31.095 1.00 0.00 ATOM 518 N SER 64 15.934 35.247 31.214 1.00 0.00 ATOM 519 CA SER 64 15.667 34.546 32.416 1.00 0.00 ATOM 520 CB SER 64 14.206 34.779 32.792 1.00 0.00 ATOM 521 OG SER 64 13.335 34.251 31.810 1.00 0.00 ATOM 522 O SER 64 15.605 32.263 33.224 1.00 0.00 ATOM 523 C SER 64 15.908 33.013 32.295 1.00 0.00 ATOM 524 N PHE 65 16.445 32.575 31.161 1.00 0.00 ATOM 525 CA PHE 65 16.713 31.156 30.950 1.00 0.00 ATOM 526 CB PHE 65 15.785 30.303 30.066 1.00 0.00 ATOM 527 CG PHE 65 14.423 30.284 30.669 1.00 0.00 ATOM 528 CD1 PHE 65 14.093 29.331 31.603 1.00 0.00 ATOM 529 CD2 PHE 65 13.474 31.213 30.308 1.00 0.00 ATOM 530 CE1 PHE 65 12.839 29.302 32.165 1.00 0.00 ATOM 531 CE2 PHE 65 12.218 31.188 30.868 1.00 0.00 ATOM 532 CZ PHE 65 11.897 30.229 31.797 1.00 0.00 ATOM 533 O PHE 65 18.521 31.610 29.464 1.00 0.00 ATOM 534 C PHE 65 18.091 30.933 30.396 1.00 0.00 ATOM 535 N ILE 66 18.775 29.899 30.939 1.00 0.00 ATOM 536 CA ILE 66 20.049 29.421 30.475 1.00 0.00 ATOM 537 CB ILE 66 21.106 29.341 31.539 1.00 0.00 ATOM 538 CG1 ILE 66 21.416 30.692 32.190 1.00 0.00 ATOM 539 CG2 ILE 66 22.347 28.732 30.870 1.00 0.00 ATOM 540 CD1 ILE 66 22.235 31.615 31.300 1.00 0.00 ATOM 541 O ILE 66 19.474 27.210 31.073 1.00 0.00 ATOM 542 C ILE 66 19.791 27.981 30.169 1.00 0.00 ATOM 543 N VAL 67 20.089 27.522 28.942 1.00 0.00 ATOM 544 CA VAL 67 19.750 26.165 28.642 1.00 0.00 ATOM 545 CB VAL 67 18.923 26.095 27.348 1.00 0.00 ATOM 546 CG1 VAL 67 18.726 24.714 26.858 1.00 0.00 ATOM 547 CG2 VAL 67 17.532 26.709 27.517 1.00 0.00 ATOM 548 O VAL 67 21.995 25.908 27.901 1.00 0.00 ATOM 549 C VAL 67 20.985 25.378 28.363 1.00 0.00 ATOM 550 N ASN 68 20.930 24.070 28.690 1.00 0.00 ATOM 551 CA ASN 68 22.035 23.194 28.443 1.00 0.00 ATOM 552 CB ASN 68 22.155 22.063 29.480 1.00 0.00 ATOM 553 CG ASN 68 23.469 21.336 29.247 1.00 0.00 ATOM 554 ND2 ASN 68 24.066 20.794 30.344 1.00 0.00 ATOM 555 OD1 ASN 68 23.948 21.243 28.118 1.00 0.00 ATOM 556 O ASN 68 20.852 21.739 26.946 1.00 0.00 ATOM 557 C ASN 68 21.780 22.536 27.091 1.00 0.00 ATOM 558 N VAL 69 22.606 22.868 26.103 1.00 0.00 ATOM 559 CA VAL 69 22.452 22.308 24.813 1.00 0.00 ATOM 560 CB VAL 69 23.636 22.735 23.922 1.00 0.00 ATOM 561 CG1 VAL 69 24.901 22.010 24.255 1.00 0.00 ATOM 562 CG2 VAL 69 23.316 22.480 22.446 1.00 0.00 ATOM 563 O VAL 69 21.560 20.280 23.994 1.00 0.00 ATOM 564 C VAL 69 22.334 20.821 24.782 1.00 0.00 ATOM 565 N ASN 70 23.167 20.069 25.556 1.00 0.00 ATOM 566 CA ASN 70 23.224 18.638 25.525 1.00 0.00 ATOM 567 CB ASN 70 24.106 18.038 26.634 1.00 0.00 ATOM 568 CG ASN 70 25.577 18.302 26.302 1.00 0.00 ATOM 569 ND2 ASN 70 26.436 18.254 27.304 1.00 0.00 ATOM 570 OD1 ASN 70 25.895 18.557 25.145 1.00 0.00 ATOM 571 O ASN 70 21.539 16.984 25.059 1.00 0.00 ATOM 572 C ASN 70 21.841 18.006 25.695 1.00 0.00 ATOM 573 N HIS 71 21.006 18.689 26.479 1.00 0.00 ATOM 574 CA HIS 71 19.735 18.082 26.872 1.00 0.00 ATOM 575 CB HIS 71 19.268 18.367 28.306 1.00 0.00 ATOM 576 CG HIS 71 19.912 17.319 29.163 1.00 0.00 ATOM 577 CD2 HIS 71 19.378 16.350 29.953 1.00 0.00 ATOM 578 ND1 HIS 71 21.271 17.108 29.180 1.00 0.00 ATOM 579 CE1 HIS 71 21.491 16.025 29.962 1.00 0.00 ATOM 580 NE2 HIS 71 20.373 15.530 30.458 1.00 0.00 ATOM 581 O HIS 71 17.421 18.082 26.243 1.00 0.00 ATOM 582 C HIS 71 18.559 18.476 25.986 1.00 0.00 ATOM 583 N ILE 72 18.835 19.252 24.942 1.00 0.00 ATOM 584 CA ILE 72 17.797 19.680 24.044 1.00 0.00 ATOM 585 CB ILE 72 18.249 20.851 23.123 1.00 0.00 ATOM 586 CG1 ILE 72 18.814 22.009 23.970 1.00 0.00 ATOM 587 CG2 ILE 72 17.110 21.246 22.171 1.00 0.00 ATOM 588 CD1 ILE 72 19.416 23.162 23.156 1.00 0.00 ATOM 589 O ILE 72 18.246 17.921 22.475 1.00 0.00 ATOM 590 C ILE 72 17.404 18.496 23.167 1.00 0.00 ATOM 591 N LYS 73 16.127 18.131 23.200 1.00 0.00 ATOM 592 CA LYS 73 15.667 17.048 22.422 1.00 0.00 ATOM 593 CB LYS 73 14.276 16.576 22.850 1.00 0.00 ATOM 594 CG LYS 73 13.728 15.426 22.020 1.00 0.00 ATOM 595 CD LYS 73 12.389 14.947 22.558 1.00 0.00 ATOM 596 CE LYS 73 11.830 13.814 21.713 1.00 0.00 ATOM 597 NZ LYS 73 10.507 13.348 22.215 1.00 0.00 ATOM 598 O LYS 73 15.916 16.622 20.090 1.00 0.00 ATOM 599 C LYS 73 15.605 17.446 20.970 1.00 0.00 ATOM 600 N ALA 74 15.244 18.697 20.667 1.00 0.00 ATOM 601 CA ALA 74 15.112 19.119 19.284 1.00 0.00 ATOM 602 CB ALA 74 13.755 18.608 18.802 1.00 0.00 ATOM 603 O ALA 74 14.493 21.393 19.626 1.00 0.00 ATOM 604 C ALA 74 15.171 20.576 19.011 1.00 0.00 ATOM 605 N ILE 75 15.972 20.942 18.008 1.00 0.00 ATOM 606 CA ILE 75 15.967 22.315 17.658 1.00 0.00 ATOM 607 CB ILE 75 17.402 22.799 17.384 1.00 0.00 ATOM 608 CG1 ILE 75 18.279 22.604 18.623 1.00 0.00 ATOM 609 CG2 ILE 75 17.406 24.276 17.019 1.00 0.00 ATOM 610 CD1 ILE 75 19.752 22.838 18.372 1.00 0.00 ATOM 611 O ILE 75 15.230 21.602 15.555 1.00 0.00 ATOM 612 C ILE 75 15.128 22.429 16.456 1.00 0.00 ATOM 613 N TYR 76 14.204 23.401 16.426 1.00 0.00 ATOM 614 CA TYR 76 13.455 23.411 15.217 1.00 0.00 ATOM 615 CB TYR 76 11.956 23.477 15.518 1.00 0.00 ATOM 616 CG TYR 76 11.431 22.285 16.285 1.00 0.00 ATOM 617 CD1 TYR 76 11.330 22.320 17.671 1.00 0.00 ATOM 618 CD2 TYR 76 11.040 21.128 15.624 1.00 0.00 ATOM 619 CE1 TYR 76 10.852 21.235 18.381 1.00 0.00 ATOM 620 CE2 TYR 76 10.560 20.034 16.318 1.00 0.00 ATOM 621 CZ TYR 76 10.469 20.096 17.708 1.00 0.00 ATOM 622 OH TYR 76 9.994 19.015 18.413 1.00 0.00 ATOM 623 O TYR 76 13.546 25.752 14.816 1.00 0.00 ATOM 624 C TYR 76 13.928 24.630 14.493 1.00 0.00 ATOM 625 N PRO 77 14.775 24.424 13.515 1.00 0.00 ATOM 626 CA PRO 77 15.189 25.532 12.726 1.00 0.00 ATOM 627 CB PRO 77 16.507 25.075 12.095 1.00 0.00 ATOM 628 CG PRO 77 16.381 23.592 12.003 1.00 0.00 ATOM 629 CD PRO 77 15.607 23.161 13.217 1.00 0.00 ATOM 630 O PRO 77 14.468 27.070 11.089 1.00 0.00 ATOM 631 C PRO 77 14.280 25.999 11.668 1.00 0.00 ATOM 632 N ASP 78 13.301 25.163 11.337 1.00 0.00 ATOM 633 CA ASP 78 12.331 25.507 10.305 1.00 0.00 ATOM 634 CB ASP 78 11.197 24.491 10.155 1.00 0.00 ATOM 635 CG ASP 78 11.682 23.149 9.645 1.00 0.00 ATOM 636 OD1 ASP 78 12.841 23.071 9.188 1.00 0.00 ATOM 637 OD2 ASP 78 10.903 22.175 9.701 1.00 0.00 ATOM 638 O ASP 78 11.596 27.662 9.625 1.00 0.00 ATOM 639 C ASP 78 11.796 26.875 10.549 1.00 0.00 ATOM 640 N THR 79 11.567 27.197 11.828 1.00 0.00 ATOM 641 CA THR 79 11.104 28.508 12.142 1.00 0.00 ATOM 642 CB THR 79 9.730 28.656 12.606 1.00 0.00 ATOM 643 CG2 THR 79 9.482 29.962 13.408 1.00 0.00 ATOM 644 OG1 THR 79 8.948 28.695 11.416 1.00 0.00 ATOM 645 O THR 79 12.481 29.905 13.500 1.00 0.00 ATOM 646 C THR 79 12.306 29.362 12.424 1.00 0.00 ATOM 647 N HIS 80 13.154 29.621 11.436 1.00 0.00 ATOM 648 CA HIS 80 14.372 30.324 11.723 1.00 0.00 ATOM 649 CB HIS 80 15.004 30.058 10.016 1.00 0.00 ATOM 650 CG HIS 80 14.622 31.188 9.149 1.00 0.00 ATOM 651 CD2 HIS 80 15.390 32.002 8.332 1.00 0.00 ATOM 652 ND1 HIS 80 13.355 31.659 8.948 1.00 0.00 ATOM 653 CE1 HIS 80 13.334 32.674 8.108 1.00 0.00 ATOM 654 NE2 HIS 80 14.595 32.928 7.693 1.00 0.00 ATOM 655 O HIS 80 14.908 32.265 12.951 1.00 0.00 ATOM 656 C HIS 80 14.100 31.708 12.215 1.00 0.00 ATOM 657 N SER 81 13.012 32.364 11.797 1.00 0.00 ATOM 658 CA SER 81 12.870 33.690 12.316 1.00 0.00 ATOM 659 CB SER 81 11.632 34.367 11.724 1.00 0.00 ATOM 660 OG SER 81 10.445 33.724 12.153 1.00 0.00 ATOM 661 O SER 81 13.079 34.520 14.523 1.00 0.00 ATOM 662 C SER 81 12.737 33.591 13.797 1.00 0.00 ATOM 663 N THR 82 12.202 32.459 14.283 1.00 0.00 ATOM 664 CA THR 82 12.128 32.339 15.699 1.00 0.00 ATOM 665 CB THR 82 10.655 32.819 16.098 1.00 0.00 ATOM 666 CG2 THR 82 10.526 32.710 17.614 1.00 0.00 ATOM 667 OG1 THR 82 10.597 34.206 15.710 1.00 0.00 ATOM 668 O THR 82 11.993 29.996 16.006 1.00 0.00 ATOM 669 C THR 82 12.690 31.005 16.047 1.00 0.00 ATOM 670 N PHE 83 13.947 30.631 16.296 1.00 0.00 ATOM 671 CA PHE 83 14.354 29.272 16.424 1.00 0.00 ATOM 672 CB PHE 83 15.874 29.103 16.402 1.00 0.00 ATOM 673 CG PHE 83 16.464 29.394 15.020 1.00 0.00 ATOM 674 CD1 PHE 83 16.582 28.364 14.098 1.00 0.00 ATOM 675 CD2 PHE 83 16.902 30.663 14.655 1.00 0.00 ATOM 676 CE1 PHE 83 17.164 28.592 12.851 1.00 0.00 ATOM 677 CE2 PHE 83 17.490 30.940 13.424 1.00 0.00 ATOM 678 CZ PHE 83 17.620 29.863 12.517 1.00 0.00 ATOM 679 O PHE 83 14.024 29.530 18.784 1.00 0.00 ATOM 680 C PHE 83 13.846 28.837 17.789 1.00 0.00 ATOM 681 N LEU 84 13.239 27.743 17.719 1.00 0.00 ATOM 682 CA LEU 84 12.661 27.158 18.912 1.00 0.00 ATOM 683 CB LEU 84 11.191 26.744 18.821 1.00 0.00 ATOM 684 CG LEU 84 10.198 27.848 18.452 1.00 0.00 ATOM 685 CD1 LEU 84 8.791 27.284 18.319 1.00 0.00 ATOM 686 CD2 LEU 84 10.177 28.931 19.518 1.00 0.00 ATOM 687 O LEU 84 13.997 25.277 18.352 1.00 0.00 ATOM 688 C LEU 84 13.468 25.952 19.234 1.00 0.00 ATOM 689 N LEU 85 13.785 25.803 20.531 1.00 0.00 ATOM 690 CA LEU 85 14.454 24.624 20.955 1.00 0.00 ATOM 691 CB LEU 85 15.808 24.995 21.564 1.00 0.00 ATOM 692 CG LEU 85 16.937 25.293 20.575 1.00 0.00 ATOM 693 CD1 LEU 85 16.678 26.597 19.839 1.00 0.00 ATOM 694 CD2 LEU 85 18.270 25.411 21.299 1.00 0.00 ATOM 695 O LEU 85 13.018 24.617 22.838 1.00 0.00 ATOM 696 C LEU 85 13.590 23.966 21.965 1.00 0.00 ATOM 697 N SER 86 13.400 22.646 21.811 1.00 0.00 ATOM 698 CA SER 86 12.517 21.967 22.698 1.00 0.00 ATOM 699 CB SER 86 11.272 21.404 21.947 1.00 0.00 ATOM 700 OG SER 86 11.631 20.290 21.162 1.00 0.00 ATOM 701 O SER 86 14.140 20.241 23.044 1.00 0.00 ATOM 702 C SER 86 13.298 21.004 23.522 1.00 0.00 ATOM 703 N MET 87 12.906 20.958 24.809 1.00 0.00 ATOM 704 CA MET 87 13.607 20.232 25.815 1.00 0.00 ATOM 705 CB MET 87 13.818 21.103 27.056 1.00 0.00 ATOM 706 CG MET 87 14.648 22.351 26.804 1.00 0.00 ATOM 707 SD MET 87 16.362 21.975 26.395 1.00 0.00 ATOM 708 CE MET 87 16.999 21.506 28.003 1.00 0.00 ATOM 709 O MET 87 11.709 18.788 25.686 1.00 0.00 ATOM 710 C MET 87 12.805 19.027 26.187 1.00 0.00 ATOM 711 N ASP 88 13.374 18.208 27.082 1.00 0.00 ATOM 712 CA ASP 88 12.785 16.950 27.424 1.00 0.00 ATOM 713 CB ASP 88 13.675 16.194 28.413 1.00 0.00 ATOM 714 CG ASP 88 14.928 15.643 27.764 1.00 0.00 ATOM 715 OD1 ASP 88 15.000 15.636 26.516 1.00 0.00 ATOM 716 OD2 ASP 88 15.841 15.216 28.502 1.00 0.00 ATOM 717 O ASP 88 10.465 16.553 27.562 1.00 0.00 ATOM 718 C ASP 88 11.432 17.160 28.022 1.00 0.00 ATOM 719 N ASN 89 11.261 18.095 28.982 1.00 0.00 ATOM 720 CA ASN 89 9.956 18.179 29.587 1.00 0.00 ATOM 721 CB ASN 89 10.113 18.582 31.054 1.00 0.00 ATOM 722 CG ASN 89 10.631 19.998 31.218 1.00 0.00 ATOM 723 ND2 ASN 89 10.023 20.748 32.129 1.00 0.00 ATOM 724 OD1 ASN 89 11.566 20.410 30.531 1.00 0.00 ATOM 725 O ASN 89 8.454 20.011 29.569 1.00 0.00 ATOM 726 C ASN 89 9.074 19.181 28.908 1.00 0.00 ATOM 727 N GLY 90 9.002 19.143 27.567 1.00 0.00 ATOM 728 CA GLY 90 8.080 19.931 26.809 1.00 0.00 ATOM 729 O GLY 90 7.651 22.204 26.301 1.00 0.00 ATOM 730 C GLY 90 8.359 21.399 26.900 1.00 0.00 ATOM 731 N GLU 91 9.401 21.813 27.629 1.00 0.00 ATOM 732 CA GLU 91 9.618 23.224 27.721 1.00 0.00 ATOM 733 CB GLU 91 10.381 23.521 29.014 1.00 0.00 ATOM 734 CG GLU 91 9.634 23.133 30.278 1.00 0.00 ATOM 735 CD GLU 91 8.317 23.869 30.427 1.00 0.00 ATOM 736 OE1 GLU 91 8.327 25.116 30.399 1.00 0.00 ATOM 737 OE2 GLU 91 7.274 23.195 30.571 1.00 0.00 ATOM 738 O GLU 91 11.171 23.000 25.942 1.00 0.00 ATOM 739 C GLU 91 10.404 23.736 26.553 1.00 0.00 ATOM 740 N ARG 92 10.156 24.995 26.138 1.00 0.00 ATOM 741 CA ARG 92 10.845 25.436 24.962 1.00 0.00 ATOM 742 CB ARG 92 9.856 25.593 23.804 1.00 0.00 ATOM 743 CG ARG 92 9.193 24.294 23.374 1.00 0.00 ATOM 744 CD ARG 92 8.184 24.533 22.263 1.00 0.00 ATOM 745 NE ARG 92 7.552 23.291 21.821 1.00 0.00 ATOM 746 CZ ARG 92 6.610 23.224 20.887 1.00 0.00 ATOM 747 NH1 ARG 92 6.094 22.050 20.550 1.00 0.00 ATOM 748 NH2 ARG 92 6.187 24.330 20.290 1.00 0.00 ATOM 749 O ARG 92 11.086 27.565 25.978 1.00 0.00 ATOM 750 C ARG 92 11.505 26.755 25.150 1.00 0.00 ATOM 751 N VAL 93 12.559 26.995 24.376 1.00 0.00 ATOM 752 CA VAL 93 13.291 28.253 24.466 1.00 0.00 ATOM 753 CB VAL 93 14.591 28.138 25.337 1.00 0.00 ATOM 754 CG1 VAL 93 14.242 27.714 26.760 1.00 0.00 ATOM 755 CG2 VAL 93 15.549 27.152 24.705 1.00 0.00 ATOM 756 O VAL 93 14.068 28.122 22.199 1.00 0.00 ATOM 757 C VAL 93 13.684 28.814 23.135 1.00 0.00 ATOM 758 N PRO 94 13.585 30.114 23.095 1.00 0.00 ATOM 759 CA PRO 94 14.013 30.833 21.921 1.00 0.00 ATOM 760 CB PRO 94 13.311 32.188 22.041 1.00 0.00 ATOM 761 CG PRO 94 13.172 32.407 23.510 1.00 0.00 ATOM 762 CD PRO 94 12.912 31.054 24.111 1.00 0.00 ATOM 763 O PRO 94 16.277 31.395 22.650 1.00 0.00 ATOM 764 C PRO 94 15.496 31.098 21.728 1.00 0.00 ATOM 765 N VAL 95 15.915 31.047 20.456 1.00 0.00 ATOM 766 CA VAL 95 17.285 31.312 20.208 1.00 0.00 ATOM 767 CB VAL 95 18.093 30.004 20.111 1.00 0.00 ATOM 768 CG1 VAL 95 19.553 30.302 19.811 1.00 0.00 ATOM 769 CG2 VAL 95 18.019 29.234 21.421 1.00 0.00 ATOM 770 O VAL 95 16.581 31.992 18.017 1.00 0.00 ATOM 771 C VAL 95 17.375 32.161 18.944 1.00 0.00 ATOM 772 N SER 96 18.341 33.073 18.908 1.00 0.00 ATOM 773 CA SER 96 18.512 33.918 17.766 1.00 0.00 ATOM 774 CB SER 96 19.442 35.077 18.132 1.00 0.00 ATOM 775 OG SER 96 18.902 35.849 19.191 1.00 0.00 ATOM 776 O SER 96 19.450 32.026 16.694 1.00 0.00 ATOM 777 C SER 96 19.065 33.185 16.580 1.00 0.00 ATOM 778 N GLN 97 19.123 33.845 15.397 1.00 0.00 ATOM 779 CA GLN 97 19.565 33.156 14.209 1.00 0.00 ATOM 780 CB GLN 97 19.841 34.436 13.090 1.00 0.00 ATOM 781 CG GLN 97 18.874 35.636 13.090 1.00 0.00 ATOM 782 CD GLN 97 19.119 36.488 11.867 1.00 0.00 ATOM 783 OE1 GLN 97 20.261 36.888 11.590 1.00 0.00 ATOM 784 NE2 GLN 97 18.096 36.618 11.033 1.00 0.00 ATOM 785 O GLN 97 21.348 31.560 14.003 1.00 0.00 ATOM 786 C GLN 97 21.007 32.714 14.299 1.00 0.00 ATOM 787 N SER 98 21.896 33.616 14.747 1.00 0.00 ATOM 788 CA SER 98 23.274 33.225 14.841 1.00 0.00 ATOM 789 CB SER 98 24.147 34.423 15.217 1.00 0.00 ATOM 790 OG SER 98 24.153 35.394 14.187 1.00 0.00 ATOM 791 O SER 98 24.335 31.279 15.762 1.00 0.00 ATOM 792 C SER 98 23.514 32.183 15.929 1.00 0.00 ATOM 793 N TYR 99 22.799 32.311 17.041 1.00 0.00 ATOM 794 CA TYR 99 22.951 31.400 18.090 1.00 0.00 ATOM 795 CB TYR 99 22.232 31.877 19.362 1.00 0.00 ATOM 796 CG TYR 99 22.687 33.251 19.846 1.00 0.00 ATOM 797 CD1 TYR 99 23.954 33.732 19.537 1.00 0.00 ATOM 798 CD2 TYR 99 21.835 34.072 20.607 1.00 0.00 ATOM 799 CE1 TYR 99 24.379 35.005 19.968 1.00 0.00 ATOM 800 CE2 TYR 99 22.234 35.324 21.033 1.00 0.00 ATOM 801 CZ TYR 99 23.511 35.794 20.708 1.00 0.00 ATOM 802 OH TYR 99 23.890 37.070 21.059 1.00 0.00 ATOM 803 O TYR 99 23.160 29.012 17.990 1.00 0.00 ATOM 804 C TYR 99 22.498 30.003 17.679 1.00 0.00 ATOM 805 N ALA 100 21.371 29.926 16.977 1.00 0.00 ATOM 806 CA ALA 100 20.858 28.656 16.537 1.00 0.00 ATOM 807 CB ALA 100 19.579 28.714 15.788 1.00 0.00 ATOM 808 O ALA 100 22.071 26.797 15.628 1.00 0.00 ATOM 809 C ALA 100 21.890 28.015 15.615 1.00 0.00 ATOM 810 N SER 101 22.564 28.836 14.817 1.00 0.00 ATOM 811 CA SER 101 23.578 28.332 13.896 1.00 0.00 ATOM 812 CB SER 101 24.190 29.440 13.036 1.00 0.00 ATOM 813 OG SER 101 23.239 29.961 12.124 1.00 0.00 ATOM 814 O SER 101 25.149 26.611 14.369 1.00 0.00 ATOM 815 C SER 101 24.659 27.691 14.705 1.00 0.00 ATOM 816 N TYR 102 25.047 28.351 15.792 1.00 0.00 ATOM 817 CA TYR 102 26.094 27.827 16.661 1.00 0.00 ATOM 818 CB TYR 102 26.338 28.782 17.831 1.00 0.00 ATOM 819 CG TYR 102 26.939 30.108 17.423 1.00 0.00 ATOM 820 CD1 TYR 102 27.514 30.273 16.170 1.00 0.00 ATOM 821 CD2 TYR 102 26.929 31.191 18.293 1.00 0.00 ATOM 822 CE1 TYR 102 28.067 31.481 15.788 1.00 0.00 ATOM 823 CE2 TYR 102 27.477 32.407 17.929 1.00 0.00 ATOM 824 CZ TYR 102 28.048 32.545 16.664 1.00 0.00 ATOM 825 OH TYR 102 28.597 33.750 16.287 1.00 0.00 ATOM 826 O TYR 102 26.482 25.568 17.370 1.00 0.00 ATOM 827 C TYR 102 25.666 26.481 17.237 1.00 0.00 ATOM 828 N PHE 103 24.387 26.360 17.576 1.00 0.00 ATOM 829 CA PHE 103 23.868 25.116 18.134 1.00 0.00 ATOM 830 CB PHE 103 22.440 25.254 18.495 1.00 0.00 ATOM 831 CG PHE 103 22.252 25.972 19.793 1.00 0.00 ATOM 832 CD1 PHE 103 21.545 27.158 19.847 1.00 0.00 ATOM 833 CD2 PHE 103 22.801 25.452 20.966 1.00 0.00 ATOM 834 CE1 PHE 103 21.387 27.827 21.068 1.00 0.00 ATOM 835 CE2 PHE 103 22.645 26.108 22.174 1.00 0.00 ATOM 836 CZ PHE 103 21.938 27.292 22.223 1.00 0.00 ATOM 837 O PHE 103 24.160 22.805 17.730 1.00 0.00 ATOM 838 C PHE 103 23.975 23.928 17.261 1.00 0.00 ATOM 839 N ARG 104 23.821 24.149 15.960 1.00 0.00 ATOM 840 CA ARG 104 23.906 23.061 14.993 1.00 0.00 ATOM 841 CB ARG 104 23.609 23.575 13.569 1.00 0.00 ATOM 842 CG ARG 104 22.265 24.106 13.317 1.00 0.00 ATOM 843 CD ARG 104 22.252 24.604 11.881 1.00 0.00 ATOM 844 NE ARG 104 20.879 24.876 11.434 1.00 0.00 ATOM 845 CZ ARG 104 20.559 25.106 10.158 1.00 0.00 ATOM 846 NH1 ARG 104 21.517 25.082 9.236 1.00 0.00 ATOM 847 NH2 ARG 104 19.308 25.390 9.813 1.00 0.00 ATOM 848 O ARG 104 25.455 21.193 15.104 1.00 0.00 ATOM 849 C ARG 104 25.295 22.437 15.021 1.00 0.00 ATOM 850 N LYS 105 26.288 23.281 14.990 1.00 0.00 ATOM 851 CA LYS 105 27.635 22.819 15.011 1.00 0.00 ATOM 852 CB LYS 105 28.638 23.970 14.900 1.00 0.00 ATOM 853 CG LYS 105 28.652 24.650 13.540 1.00 0.00 ATOM 854 CD LYS 105 29.670 25.778 13.498 1.00 0.00 ATOM 855 CE LYS 105 29.668 26.474 12.148 1.00 0.00 ATOM 856 NZ LYS 105 30.637 27.604 12.103 1.00 0.00 ATOM 857 O LYS 105 28.595 21.041 16.218 1.00 0.00 ATOM 858 C LYS 105 27.924 22.070 16.264 1.00 0.00 ATOM 859 N LEU 106 27.466 22.580 17.421 1.00 0.00 ATOM 860 CA LEU 106 27.765 21.948 18.679 1.00 0.00 ATOM 861 CB LEU 106 27.263 22.805 19.843 1.00 0.00 ATOM 862 CG LEU 106 27.538 22.268 21.248 1.00 0.00 ATOM 863 CD1 LEU 106 29.033 22.129 21.487 1.00 0.00 ATOM 864 CD2 LEU 106 26.974 23.208 22.302 1.00 0.00 ATOM 865 O LEU 106 27.760 19.650 19.293 1.00 0.00 ATOM 866 C LEU 106 27.130 20.576 18.773 1.00 0.00 ATOM 867 N LEU 107 25.939 20.456 18.376 1.00 0.00 ATOM 868 CA LEU 107 25.184 19.221 18.460 1.00 0.00 ATOM 869 CB LEU 107 23.740 19.429 18.946 1.00 0.00 ATOM 870 CG LEU 107 23.600 20.167 20.288 1.00 0.00 ATOM 871 CD1 LEU 107 22.167 20.613 20.496 1.00 0.00 ATOM 872 CD2 LEU 107 24.088 19.273 21.414 1.00 0.00 ATOM 873 O LEU 107 24.421 17.447 17.037 1.00 0.00 ATOM 874 C LEU 107 25.173 18.413 17.167 1.00 0.00 ATOM 875 N GLY 108 26.010 18.809 16.212 1.00 0.00 ATOM 876 CA GLY 108 26.082 18.113 14.949 1.00 0.00 ATOM 877 O GLY 108 25.023 17.727 12.820 1.00 0.00 ATOM 878 C GLY 108 25.012 18.366 13.873 1.00 0.00 ATOM 879 N PHE 109 24.100 19.294 14.144 1.00 0.00 ATOM 880 CA PHE 109 23.041 19.614 13.192 1.00 0.00 ATOM 881 CB PHE 109 21.963 20.357 14.035 1.00 0.00 ATOM 882 CG PHE 109 21.142 19.473 14.933 1.00 0.00 ATOM 883 CD1 PHE 109 21.672 18.975 16.126 1.00 0.00 ATOM 884 CD2 PHE 109 19.846 19.135 14.590 1.00 0.00 ATOM 885 CE1 PHE 109 20.916 18.164 16.961 1.00 0.00 ATOM 886 CE2 PHE 109 19.078 18.316 15.425 1.00 0.00 ATOM 887 CZ PHE 109 19.622 17.830 16.615 1.00 0.00 ATOM 888 O PHE 109 24.431 21.113 12.023 1.00 0.00 ATOM 889 C PHE 109 23.514 20.311 11.907 1.00 0.00 TER END