PFRMAT TS TARGET T0401 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 Model METHOD METHOD 1 T0401.try5-opt3.pdb # slightly tweaked version of try4, METHOD # grabbing I108-K112 from Zhang-Server_TS1 METHOD 2 T0401.try4-opt3.pdb # optimized without metaserer METHOD 3 T0401.MQAC1-opt3.pdb # from metaserver, based on SAM-T08-server_TS1 METHOD 4 T0401.try1-opt3.gromacs0.pdb # gromacs optimization of initial automatic run METHOD 5 align1 # alignment from 2prvA that is central to most of the predictions METHOD METHOD REMARK 6 REMARK 6 T0401 model 5 Thu May 29 19:22:07 2008 MODEL 5 PARENT 2prv_A 2icg_A 2pag_A REMARK 7 REMARK 7 ALLPARENTS 2prv_A 2icg_A 2pag_A ATOM 2 N SER 6 48.879 22.176 16.654 1.00 0.00 ATOM 3 CA SER 6 50.092 22.053 17.396 1.00 0.00 ATOM 4 CB SER 6 50.983 23.275 17.173 1.00 0.00 ATOM 5 OG SER 6 51.428 23.344 15.828 1.00 0.00 ATOM 6 O SER 6 50.599 21.226 19.585 1.00 0.00 ATOM 7 C SER 6 49.871 21.935 18.887 1.00 0.00 ATOM 8 N LYS 7 48.913 22.701 19.395 1.00 0.00 ATOM 9 CA LYS 7 48.576 22.686 20.811 1.00 0.00 ATOM 10 CB LYS 7 48.957 24.017 21.465 1.00 0.00 ATOM 11 CG LYS 7 50.455 24.244 21.584 1.00 0.00 ATOM 12 CD LYS 7 50.761 25.591 22.217 1.00 0.00 ATOM 13 CE LYS 7 52.250 25.896 22.178 1.00 0.00 ATOM 14 NZ LYS 7 52.562 27.227 22.766 1.00 0.00 ATOM 15 O LYS 7 46.529 23.013 21.984 1.00 0.00 ATOM 16 C LYS 7 47.101 22.471 21.040 1.00 0.00 ATOM 17 N TRP 8 46.492 21.710 20.140 1.00 0.00 ATOM 18 CA TRP 8 45.078 21.361 20.244 1.00 0.00 ATOM 19 CB TRP 8 44.580 20.749 18.933 1.00 0.00 ATOM 20 CG TRP 8 45.290 19.487 18.551 1.00 0.00 ATOM 21 CD1 TRP 8 46.410 19.378 17.779 1.00 0.00 ATOM 22 CD2 TRP 8 44.928 18.152 18.926 1.00 0.00 ATOM 23 CE2 TRP 8 45.874 17.286 18.344 1.00 0.00 ATOM 24 CE3 TRP 8 43.898 17.605 19.696 1.00 0.00 ATOM 25 NE1 TRP 8 46.769 18.059 17.648 1.00 0.00 ATOM 26 CZ2 TRP 8 45.820 15.903 18.508 1.00 0.00 ATOM 27 CZ3 TRP 8 43.848 16.233 19.855 1.00 0.00 ATOM 28 CH2 TRP 8 44.801 15.395 19.266 1.00 0.00 ATOM 29 O TRP 8 45.765 19.740 21.903 1.00 0.00 ATOM 30 C TRP 8 44.823 20.354 21.348 1.00 0.00 ATOM 31 N TYR 9 43.572 20.229 21.727 1.00 0.00 ATOM 32 CA TYR 9 43.167 19.152 22.631 1.00 0.00 ATOM 33 CB TYR 9 42.804 19.716 24.006 1.00 0.00 ATOM 34 CG TYR 9 43.950 20.413 24.704 1.00 0.00 ATOM 35 CD1 TYR 9 44.146 21.780 24.555 1.00 0.00 ATOM 36 CD2 TYR 9 44.830 19.704 25.510 1.00 0.00 ATOM 37 CE1 TYR 9 45.190 22.427 25.190 1.00 0.00 ATOM 38 CE2 TYR 9 45.881 20.333 26.151 1.00 0.00 ATOM 39 CZ TYR 9 46.054 21.706 25.984 1.00 0.00 ATOM 40 OH TYR 9 47.094 22.348 26.617 1.00 0.00 ATOM 41 O TYR 9 40.990 19.105 21.679 1.00 0.00 ATOM 42 C TYR 9 41.945 18.459 22.009 1.00 0.00 ATOM 43 N LYS 10 42.078 17.164 21.737 1.00 0.00 ATOM 44 CA LYS 10 40.953 16.369 21.266 1.00 0.00 ATOM 45 CB LYS 10 41.104 16.060 19.774 1.00 0.00 ATOM 46 CG LYS 10 41.029 17.284 18.875 1.00 0.00 ATOM 47 CD LYS 10 41.161 16.903 17.410 1.00 0.00 ATOM 48 CE LYS 10 41.096 18.127 16.513 1.00 0.00 ATOM 49 NZ LYS 10 41.194 17.765 15.072 1.00 0.00 ATOM 50 O LYS 10 41.962 14.657 22.663 1.00 0.00 ATOM 51 C LYS 10 40.940 15.061 22.074 1.00 0.00 ATOM 52 N LYS 11 39.781 14.409 22.050 1.00 0.00 ATOM 53 CA LYS 11 39.585 13.249 22.908 1.00 0.00 ATOM 54 CB LYS 11 38.215 13.313 23.589 1.00 0.00 ATOM 55 CG LYS 11 37.976 12.206 24.604 1.00 0.00 ATOM 56 CD LYS 11 38.933 12.317 25.779 1.00 0.00 ATOM 57 CE LYS 11 38.699 11.205 26.789 1.00 0.00 ATOM 58 NZ LYS 11 39.705 11.231 27.887 1.00 0.00 ATOM 59 O LYS 11 40.729 11.451 21.852 1.00 0.00 ATOM 60 C LYS 11 39.658 11.969 22.097 1.00 0.00 ATOM 61 N ASP 12 38.499 11.461 21.702 1.00 0.00 ATOM 62 CA ASP 12 38.355 10.208 21.014 1.00 0.00 ATOM 63 CB ASP 12 38.176 9.065 22.014 1.00 0.00 ATOM 64 CG ASP 12 38.347 7.700 21.374 1.00 0.00 ATOM 65 OD1 ASP 12 37.597 7.392 20.424 1.00 0.00 ATOM 66 OD2 ASP 12 39.229 6.940 21.824 1.00 0.00 ATOM 67 O ASP 12 36.074 10.824 20.591 1.00 0.00 ATOM 68 C ASP 12 37.111 10.352 20.127 1.00 0.00 ATOM 69 N GLY 13 37.173 9.930 18.858 1.00 0.00 ATOM 70 CA GLY 13 35.989 10.038 17.997 1.00 0.00 ATOM 71 O GLY 13 35.139 8.067 19.075 1.00 0.00 ATOM 72 C GLY 13 34.883 9.146 18.535 1.00 0.00 ATOM 73 N ALA 14 33.668 9.655 18.462 1.00 0.00 ATOM 74 CA ALA 14 32.449 8.995 18.914 1.00 0.00 ATOM 75 CB ALA 14 31.390 10.036 19.287 1.00 0.00 ATOM 76 O ALA 14 31.772 8.416 16.653 1.00 0.00 ATOM 77 C ALA 14 31.919 8.043 17.821 1.00 0.00 ATOM 78 N SER 15 31.639 6.798 18.233 1.00 0.00 ATOM 79 CA SER 15 31.019 5.832 17.350 1.00 0.00 ATOM 80 CB SER 15 31.140 4.405 17.975 1.00 0.00 ATOM 81 OG SER 15 30.268 4.343 19.094 1.00 0.00 ATOM 82 O SER 15 28.948 6.966 17.836 1.00 0.00 ATOM 83 C SER 15 29.541 6.146 17.140 1.00 0.00 ATOM 84 N SER 16 28.941 5.457 16.176 1.00 0.00 ATOM 85 CA SER 16 27.482 5.525 15.944 1.00 0.00 ATOM 86 CB SER 16 27.048 4.457 14.938 1.00 0.00 ATOM 87 OG SER 16 27.581 4.721 13.651 1.00 0.00 ATOM 88 O SER 16 25.838 6.077 17.656 1.00 0.00 ATOM 89 C SER 16 26.722 5.293 17.271 1.00 0.00 ATOM 90 N ALA 17 27.101 4.237 17.997 1.00 0.00 ATOM 91 CA ALA 17 26.456 3.926 19.294 1.00 0.00 ATOM 92 CB ALA 17 26.975 2.606 19.841 1.00 0.00 ATOM 93 O ALA 17 25.799 5.316 21.124 1.00 0.00 ATOM 94 C ALA 17 26.709 4.973 20.349 1.00 0.00 ATOM 95 N SER 18 27.923 5.531 20.364 1.00 0.00 ATOM 96 CA SER 18 28.175 6.628 21.267 1.00 0.00 ATOM 97 CB SER 18 29.631 7.090 21.156 1.00 0.00 ATOM 98 OG SER 18 30.520 6.090 21.619 1.00 0.00 ATOM 99 O SER 18 26.737 8.518 21.891 1.00 0.00 ATOM 100 C SER 18 27.266 7.859 20.965 1.00 0.00 ATOM 101 N ILE 19 27.144 8.206 19.696 1.00 0.00 ATOM 102 CA ILE 19 26.315 9.340 19.342 1.00 0.00 ATOM 103 CB ILE 19 26.549 9.724 17.841 1.00 0.00 ATOM 104 CG1 ILE 19 28.007 10.219 17.660 1.00 0.00 ATOM 105 CG2 ILE 19 25.483 10.732 17.395 1.00 0.00 ATOM 106 CD1 ILE 19 28.440 10.371 16.255 1.00 0.00 ATOM 107 O ILE 19 24.131 9.912 20.180 1.00 0.00 ATOM 108 C ILE 19 24.833 9.041 19.657 1.00 0.00 ATOM 109 N ASP 20 24.386 7.809 19.411 1.00 0.00 ATOM 110 CA ASP 20 23.044 7.442 19.766 1.00 0.00 ATOM 111 CB ASP 20 22.752 6.001 19.344 1.00 0.00 ATOM 112 CG ASP 20 22.594 5.853 17.845 1.00 0.00 ATOM 113 OD1 ASP 20 22.471 6.888 17.155 1.00 0.00 ATOM 114 OD2 ASP 20 22.590 4.703 17.357 1.00 0.00 ATOM 115 O ASP 20 21.717 7.955 21.662 1.00 0.00 ATOM 116 C ASP 20 22.774 7.532 21.261 1.00 0.00 ATOM 117 N ASP 21 23.742 7.147 22.073 1.00 0.00 ATOM 118 CA ASP 21 23.635 7.309 23.533 1.00 0.00 ATOM 119 CB ASP 21 24.889 6.771 24.224 1.00 0.00 ATOM 120 CG ASP 21 24.962 5.257 24.206 1.00 0.00 ATOM 121 OD1 ASP 21 23.941 4.618 23.875 1.00 0.00 ATOM 122 OD2 ASP 21 26.038 4.710 24.521 1.00 0.00 ATOM 123 O ASP 21 22.672 9.173 24.733 1.00 0.00 ATOM 124 C ASP 21 23.477 8.796 23.897 1.00 0.00 ATOM 125 N VAL 22 24.342 9.626 23.332 1.00 0.00 ATOM 126 CA VAL 22 24.293 11.062 23.605 1.00 0.00 ATOM 127 CB VAL 22 25.378 11.823 22.820 1.00 0.00 ATOM 128 CG1 VAL 22 25.184 13.325 22.962 1.00 0.00 ATOM 129 CG2 VAL 22 26.762 11.466 23.340 1.00 0.00 ATOM 130 O VAL 22 22.245 12.371 23.950 1.00 0.00 ATOM 131 C VAL 22 22.899 11.618 23.189 1.00 0.00 ATOM 132 N GLU 23 22.378 11.237 22.028 1.00 0.00 ATOM 133 CA GLU 23 21.076 11.738 21.589 1.00 0.00 ATOM 134 CB GLU 23 20.704 11.369 20.130 1.00 0.00 ATOM 135 CG GLU 23 21.617 12.068 19.137 1.00 0.00 ATOM 136 CD GLU 23 21.243 11.768 17.711 1.00 0.00 ATOM 137 OE1 GLU 23 21.019 10.559 17.396 1.00 0.00 ATOM 138 OE2 GLU 23 21.166 12.720 16.902 1.00 0.00 ATOM 139 O GLU 23 19.084 12.056 22.918 1.00 0.00 ATOM 140 C GLU 23 19.969 11.271 22.542 1.00 0.00 ATOM 141 N LYS 24 20.053 9.995 22.981 1.00 0.00 ATOM 142 CA LYS 24 19.043 9.496 23.919 1.00 0.00 ATOM 143 CB LYS 24 19.273 8.014 24.215 1.00 0.00 ATOM 144 CG LYS 24 18.963 7.092 23.047 1.00 0.00 ATOM 145 CD LYS 24 19.211 5.637 23.410 1.00 0.00 ATOM 146 CE LYS 24 18.924 4.717 22.235 1.00 0.00 ATOM 147 NZ LYS 24 19.194 3.290 22.567 1.00 0.00 ATOM 148 O LYS 24 18.084 10.630 25.775 1.00 0.00 ATOM 149 C LYS 24 19.114 10.261 25.214 1.00 0.00 ATOM 150 N LEU 25 20.332 10.505 25.707 1.00 0.00 ATOM 151 CA LEU 25 20.546 11.175 27.001 1.00 0.00 ATOM 152 CB LEU 25 21.999 11.014 27.455 1.00 0.00 ATOM 153 CG LEU 25 22.447 9.592 27.799 1.00 0.00 ATOM 154 CD1 LEU 25 23.935 9.560 28.116 1.00 0.00 ATOM 155 CD2 LEU 25 21.692 9.068 29.011 1.00 0.00 ATOM 156 O LEU 25 19.974 13.289 27.970 1.00 0.00 ATOM 157 C LEU 25 20.250 12.701 26.958 1.00 0.00 ATOM 158 N LEU 26 20.347 13.305 25.785 1.00 0.00 ATOM 159 CA LEU 26 19.845 14.683 25.593 1.00 0.00 ATOM 160 CB LEU 26 20.546 15.294 24.369 1.00 0.00 ATOM 161 CG LEU 26 22.053 15.525 24.508 1.00 0.00 ATOM 162 CD1 LEU 26 22.622 15.868 23.113 1.00 0.00 ATOM 163 CD2 LEU 26 22.397 16.587 25.562 1.00 0.00 ATOM 164 O LEU 26 17.752 15.844 25.493 1.00 0.00 ATOM 165 C LEU 26 18.345 14.767 25.340 1.00 0.00 ATOM 166 N ASN 27 17.773 13.660 24.872 1.00 0.00 ATOM 167 CA ASN 27 16.457 13.657 24.320 1.00 0.00 ATOM 168 CB ASN 27 15.425 14.012 25.393 1.00 0.00 ATOM 169 CG ASN 27 15.285 12.931 26.445 1.00 0.00 ATOM 170 ND2 ASN 27 14.872 13.325 27.644 1.00 0.00 ATOM 171 OD1 ASN 27 15.544 11.757 26.182 1.00 0.00 ATOM 172 O ASN 27 15.232 15.285 23.005 1.00 0.00 ATOM 173 C ASN 27 16.281 14.664 23.175 1.00 0.00 ATOM 174 N THR 28 17.371 14.823 22.418 1.00 0.00 ATOM 175 CA THR 28 17.438 15.720 21.252 1.00 0.00 ATOM 176 CB THR 28 18.277 16.975 21.554 1.00 0.00 ATOM 177 CG2 THR 28 17.688 17.740 22.729 1.00 0.00 ATOM 178 OG1 THR 28 19.618 16.591 21.875 1.00 0.00 ATOM 179 O THR 28 19.071 14.258 20.272 1.00 0.00 ATOM 180 C THR 28 18.075 14.987 20.077 1.00 0.00 ATOM 181 N THR 29 17.555 15.273 18.868 1.00 0.00 ATOM 182 CA THR 29 18.256 14.965 17.648 1.00 0.00 ATOM 183 CB THR 29 17.316 15.007 16.429 1.00 0.00 ATOM 184 CG2 THR 29 18.084 14.706 15.151 1.00 0.00 ATOM 185 OG1 THR 29 16.278 14.032 16.589 1.00 0.00 ATOM 186 O THR 29 19.132 17.174 17.602 1.00 0.00 ATOM 187 C THR 29 19.371 15.988 17.443 1.00 0.00 ATOM 188 N LEU 30 20.549 15.525 17.055 1.00 0.00 ATOM 189 CA LEU 30 21.681 16.431 16.789 1.00 0.00 ATOM 190 CB LEU 30 22.959 15.843 17.357 1.00 0.00 ATOM 191 CG LEU 30 23.088 15.670 18.884 1.00 0.00 ATOM 192 CD1 LEU 30 24.325 14.874 19.357 1.00 0.00 ATOM 193 CD2 LEU 30 23.041 17.101 19.558 1.00 0.00 ATOM 194 O LEU 30 21.561 15.869 14.459 1.00 0.00 ATOM 195 C LEU 30 21.822 16.727 15.309 1.00 0.00 ATOM 196 N PRO 31 22.300 17.946 14.994 1.00 0.00 ATOM 197 CA PRO 31 22.467 18.287 13.620 1.00 0.00 ATOM 198 CB PRO 31 22.765 19.799 13.682 1.00 0.00 ATOM 199 CG PRO 31 23.387 20.013 14.984 1.00 0.00 ATOM 200 CD PRO 31 22.735 19.021 15.894 1.00 0.00 ATOM 201 O PRO 31 24.622 17.207 13.719 1.00 0.00 ATOM 202 C PRO 31 23.660 17.522 13.002 1.00 0.00 ATOM 203 N LYS 32 23.641 17.351 11.692 1.00 0.00 ATOM 204 CA LYS 32 24.701 16.644 10.989 1.00 0.00 ATOM 205 CB LYS 32 24.469 16.695 9.477 1.00 0.00 ATOM 206 CG LYS 32 25.512 15.944 8.663 1.00 0.00 ATOM 207 CD LYS 32 25.182 15.977 7.180 1.00 0.00 ATOM 208 CE LYS 32 26.249 15.268 6.362 1.00 0.00 ATOM 209 NZ LYS 32 25.951 15.312 4.905 1.00 0.00 ATOM 210 O LYS 32 26.998 16.449 11.462 1.00 0.00 ATOM 211 C LYS 32 26.082 17.202 11.228 1.00 0.00 ATOM 212 N GLN 33 26.265 18.529 11.169 1.00 0.00 ATOM 213 CA GLN 33 27.610 19.046 11.322 1.00 0.00 ATOM 214 CB GLN 33 27.644 20.547 11.024 1.00 0.00 ATOM 215 CG GLN 33 27.343 20.899 9.577 1.00 0.00 ATOM 216 CD GLN 33 28.333 20.282 8.608 1.00 0.00 ATOM 217 OE1 GLN 33 29.542 20.325 8.831 1.00 0.00 ATOM 218 NE2 GLN 33 27.819 19.704 7.529 1.00 0.00 ATOM 219 O GLN 33 29.425 18.766 12.819 1.00 0.00 ATOM 220 C GLN 33 28.190 18.876 12.696 1.00 0.00 ATOM 221 N TYR 34 27.340 18.816 13.727 1.00 0.00 ATOM 222 CA TYR 34 27.846 18.547 15.070 1.00 0.00 ATOM 223 CB TYR 34 26.872 19.046 16.123 1.00 0.00 ATOM 224 CG TYR 34 27.378 18.798 17.543 1.00 0.00 ATOM 225 CD1 TYR 34 28.556 19.383 18.069 1.00 0.00 ATOM 226 CD2 TYR 34 26.692 17.973 18.401 1.00 0.00 ATOM 227 CE1 TYR 34 29.037 19.166 19.328 1.00 0.00 ATOM 228 CE2 TYR 34 27.160 17.771 19.675 1.00 0.00 ATOM 229 CZ TYR 34 28.309 18.364 20.172 1.00 0.00 ATOM 230 OH TYR 34 28.761 18.113 21.434 1.00 0.00 ATOM 231 O TYR 34 29.144 16.701 15.811 1.00 0.00 ATOM 232 C TYR 34 28.150 17.052 15.215 1.00 0.00 ATOM 233 N LYS 35 27.322 16.190 14.643 1.00 0.00 ATOM 234 CA LYS 35 27.673 14.759 14.622 1.00 0.00 ATOM 235 CB LYS 35 26.538 13.927 13.993 1.00 0.00 ATOM 236 CG LYS 35 25.286 13.935 14.840 1.00 0.00 ATOM 237 CD LYS 35 24.252 12.936 14.411 1.00 0.00 ATOM 238 CE LYS 35 23.600 13.331 13.119 1.00 0.00 ATOM 239 NZ LYS 35 22.562 12.320 12.646 1.00 0.00 ATOM 240 O LYS 35 29.780 13.641 14.312 1.00 0.00 ATOM 241 C LYS 35 28.996 14.479 13.905 1.00 0.00 ATOM 242 N SER 36 29.265 15.226 12.829 1.00 0.00 ATOM 243 CA SER 36 30.556 15.126 12.186 1.00 0.00 ATOM 244 CB SER 36 30.671 16.147 11.051 1.00 0.00 ATOM 245 OG SER 36 29.770 15.846 10.001 1.00 0.00 ATOM 246 O SER 36 32.721 14.633 13.158 1.00 0.00 ATOM 247 C SER 36 31.729 15.381 13.140 1.00 0.00 ATOM 248 N PHE 37 31.596 16.434 13.946 1.00 0.00 ATOM 249 CA PHE 37 32.598 16.827 14.901 1.00 0.00 ATOM 250 CB PHE 37 32.234 18.183 15.547 1.00 0.00 ATOM 251 CG PHE 37 33.140 18.571 16.684 1.00 0.00 ATOM 252 CD1 PHE 37 34.336 19.239 16.437 1.00 0.00 ATOM 253 CD2 PHE 37 32.762 18.347 17.976 1.00 0.00 ATOM 254 CE1 PHE 37 35.144 19.582 17.481 1.00 0.00 ATOM 255 CE2 PHE 37 33.574 18.692 19.000 1.00 0.00 ATOM 256 CZ PHE 37 34.778 19.318 18.734 1.00 0.00 ATOM 257 O PHE 37 33.867 15.347 16.329 1.00 0.00 ATOM 258 C PHE 37 32.746 15.744 15.976 1.00 0.00 ATOM 259 N LEU 38 31.631 15.229 16.502 1.00 0.00 ATOM 260 CA LEU 38 31.697 14.157 17.489 1.00 0.00 ATOM 261 CB LEU 38 30.288 13.761 17.932 1.00 0.00 ATOM 262 CG LEU 38 29.483 14.778 18.745 1.00 0.00 ATOM 263 CD1 LEU 38 28.065 14.210 18.974 1.00 0.00 ATOM 264 CD2 LEU 38 30.180 15.005 20.081 1.00 0.00 ATOM 265 O LEU 38 33.258 12.377 17.625 1.00 0.00 ATOM 266 C LEU 38 32.423 12.939 16.924 1.00 0.00 ATOM 267 N LEU 39 32.106 12.558 15.699 1.00 0.00 ATOM 268 CA LEU 39 32.696 11.391 15.081 1.00 0.00 ATOM 269 CB LEU 39 32.089 11.151 13.698 1.00 0.00 ATOM 270 CG LEU 39 32.608 9.933 12.931 1.00 0.00 ATOM 271 CD1 LEU 39 32.316 8.650 13.695 1.00 0.00 ATOM 272 CD2 LEU 39 31.945 9.834 11.565 1.00 0.00 ATOM 273 O LEU 39 34.973 10.625 15.188 1.00 0.00 ATOM 274 C LEU 39 34.208 11.542 14.906 1.00 0.00 ATOM 275 N TRP 40 34.644 12.722 14.472 1.00 0.00 ATOM 276 CA TRP 40 36.004 12.903 14.043 1.00 0.00 ATOM 277 CB TRP 40 36.096 14.033 13.016 1.00 0.00 ATOM 278 CG TRP 40 35.451 13.704 11.704 1.00 0.00 ATOM 279 CD1 TRP 40 34.857 12.526 11.355 1.00 0.00 ATOM 280 CD2 TRP 40 35.339 14.566 10.564 1.00 0.00 ATOM 281 CE2 TRP 40 34.663 13.842 9.561 1.00 0.00 ATOM 282 CE3 TRP 40 35.742 15.876 10.293 1.00 0.00 ATOM 283 NE1 TRP 40 34.379 12.598 10.070 1.00 0.00 ATOM 284 CZ2 TRP 40 34.382 14.385 8.308 1.00 0.00 ATOM 285 CZ3 TRP 40 35.462 16.411 9.049 1.00 0.00 ATOM 286 CH2 TRP 40 34.789 15.671 8.072 1.00 0.00 ATOM 287 O TRP 40 38.098 12.792 15.259 1.00 0.00 ATOM 288 C TRP 40 36.943 13.260 15.199 1.00 0.00 ATOM 289 N SER 41 36.462 14.101 16.114 1.00 0.00 ATOM 290 CA SER 41 37.283 14.703 17.154 1.00 0.00 ATOM 291 CB SER 41 37.242 16.230 17.053 1.00 0.00 ATOM 292 OG SER 41 35.926 16.719 17.243 1.00 0.00 ATOM 293 O SER 41 37.691 14.439 19.511 1.00 0.00 ATOM 294 C SER 41 36.860 14.359 18.579 1.00 0.00 ATOM 295 N ASN 42 35.586 13.984 18.735 1.00 0.00 ATOM 296 CA ASN 42 35.038 13.702 20.051 1.00 0.00 ATOM 297 CB ASN 42 36.067 12.972 20.914 1.00 0.00 ATOM 298 CG ASN 42 35.496 12.520 22.245 1.00 0.00 ATOM 299 ND2 ASN 42 35.420 11.209 22.438 1.00 0.00 ATOM 300 OD1 ASN 42 35.129 13.342 23.085 1.00 0.00 ATOM 301 O ASN 42 33.447 15.195 21.020 1.00 0.00 ATOM 302 C ASN 42 34.622 14.952 20.825 1.00 0.00 ATOM 303 N GLY 43 35.620 15.721 21.260 1.00 0.00 ATOM 304 CA GLY 43 35.421 16.938 21.980 1.00 0.00 ATOM 305 O GLY 43 37.835 17.021 21.817 1.00 0.00 ATOM 306 C GLY 43 36.784 17.656 21.970 1.00 0.00 ATOM 307 N GLY 44 36.731 18.975 22.136 1.00 0.00 ATOM 308 CA GLY 44 37.960 19.767 22.303 1.00 0.00 ATOM 309 O GLY 44 37.046 21.310 20.784 1.00 0.00 ATOM 310 C GLY 44 38.069 20.833 21.250 1.00 0.00 ATOM 314 N LYS 47 39.282 21.181 20.847 1.00 0.00 ATOM 315 CA LYS 47 39.455 22.229 19.874 1.00 0.00 ATOM 316 CB LYS 47 38.449 23.356 20.116 1.00 0.00 ATOM 317 CG LYS 47 36.996 22.930 19.974 1.00 0.00 ATOM 318 CD LYS 47 36.671 22.542 18.541 1.00 0.00 ATOM 319 CE LYS 47 35.204 22.181 18.386 1.00 0.00 ATOM 320 NZ LYS 47 34.881 21.749 16.998 1.00 0.00 ATOM 321 O LYS 47 41.777 22.181 20.355 1.00 0.00 ATOM 322 C LYS 47 40.824 22.835 19.921 1.00 0.00 ATOM 323 N LEU 48 40.935 24.110 19.591 1.00 0.00 ATOM 324 CA LEU 48 42.231 24.703 19.402 1.00 0.00 ATOM 325 CB LEU 48 42.813 24.279 18.048 1.00 0.00 ATOM 326 CG LEU 48 42.091 24.685 16.761 1.00 0.00 ATOM 327 CD1 LEU 48 42.949 24.367 15.524 1.00 0.00 ATOM 328 CD2 LEU 48 40.710 24.028 16.563 1.00 0.00 ATOM 329 O LEU 48 41.001 26.765 19.393 1.00 0.00 ATOM 330 C LEU 48 42.095 26.210 19.543 1.00 0.00 ATOM 331 N GLY 49 43.214 26.856 19.780 1.00 0.00 ATOM 332 CA GLY 49 43.278 28.331 19.942 1.00 0.00 ATOM 333 O GLY 49 41.640 29.882 20.765 1.00 0.00 ATOM 334 C GLY 49 42.253 28.837 20.944 1.00 0.00 ATOM 335 N ASP 50 42.005 28.055 22.002 1.00 0.00 ATOM 336 CA ASP 50 41.072 28.491 23.031 1.00 0.00 ATOM 337 CB ASP 50 41.163 30.005 23.229 1.00 0.00 ATOM 338 CG ASP 50 42.543 30.453 23.669 1.00 0.00 ATOM 339 OD1 ASP 50 43.116 29.809 24.573 1.00 0.00 ATOM 340 OD2 ASP 50 43.051 31.448 23.111 1.00 0.00 ATOM 341 O ASP 50 38.746 28.596 23.612 1.00 0.00 ATOM 342 C ASP 50 39.584 28.222 22.800 1.00 0.00 ATOM 346 N ILE 53 39.284 27.670 21.641 1.00 0.00 ATOM 347 CA ILE 53 37.943 27.361 21.205 1.00 0.00 ATOM 348 CB ILE 53 37.736 27.714 19.720 1.00 0.00 ATOM 349 CG1 ILE 53 38.115 29.174 19.460 1.00 0.00 ATOM 350 CG2 ILE 53 36.282 27.515 19.322 1.00 0.00 ATOM 351 CD1 ILE 53 37.312 30.166 20.272 1.00 0.00 ATOM 352 O ILE 53 38.153 25.057 20.592 1.00 0.00 ATOM 353 C ILE 53 37.723 25.858 21.408 1.00 0.00 ATOM 354 N TYR 54 37.083 25.505 22.500 1.00 0.00 ATOM 355 CA TYR 54 36.908 24.097 22.921 1.00 0.00 ATOM 356 CB TYR 54 37.510 23.873 24.309 1.00 0.00 ATOM 357 CG TYR 54 39.012 24.040 24.359 1.00 0.00 ATOM 358 CD1 TYR 54 39.581 25.273 24.652 1.00 0.00 ATOM 359 CD2 TYR 54 39.857 22.965 24.114 1.00 0.00 ATOM 360 CE1 TYR 54 40.952 25.435 24.699 1.00 0.00 ATOM 361 CE2 TYR 54 41.229 23.108 24.158 1.00 0.00 ATOM 362 CZ TYR 54 41.775 24.357 24.454 1.00 0.00 ATOM 363 OH TYR 54 43.141 24.517 24.501 1.00 0.00 ATOM 364 O TYR 54 34.645 24.510 23.643 1.00 0.00 ATOM 365 C TYR 54 35.422 23.810 22.951 1.00 0.00 ATOM 366 N ILE 55 35.053 22.774 22.221 1.00 0.00 ATOM 367 CA ILE 55 33.695 22.349 22.068 1.00 0.00 ATOM 368 CB ILE 55 33.352 22.068 20.594 1.00 0.00 ATOM 369 CG1 ILE 55 33.633 23.302 19.735 1.00 0.00 ATOM 370 CG2 ILE 55 31.884 21.702 20.446 1.00 0.00 ATOM 371 CD1 ILE 55 32.831 24.521 20.137 1.00 0.00 ATOM 372 O ILE 55 34.168 20.100 22.775 1.00 0.00 ATOM 373 C ILE 55 33.405 21.068 22.851 1.00 0.00 ATOM 374 N TRP 56 32.317 21.116 23.583 1.00 0.00 ATOM 375 CA TRP 56 31.867 19.954 24.344 1.00 0.00 ATOM 376 CB TRP 56 30.674 20.324 25.227 1.00 0.00 ATOM 377 CG TRP 56 31.004 21.324 26.294 1.00 0.00 ATOM 378 CD1 TRP 56 30.683 22.651 26.299 1.00 0.00 ATOM 379 CD2 TRP 56 31.719 21.077 27.510 1.00 0.00 ATOM 380 CE2 TRP 56 31.794 22.302 28.205 1.00 0.00 ATOM 381 CE3 TRP 56 32.303 19.943 28.081 1.00 0.00 ATOM 382 NE1 TRP 56 31.154 23.247 27.444 1.00 0.00 ATOM 383 CZ2 TRP 56 32.430 22.422 29.439 1.00 0.00 ATOM 384 CZ3 TRP 56 32.931 20.067 29.306 1.00 0.00 ATOM 385 CH2 TRP 56 32.992 21.295 29.973 1.00 0.00 ATOM 386 O TRP 56 31.003 19.028 22.289 1.00 0.00 ATOM 387 C TRP 56 31.435 18.815 23.421 1.00 0.00 ATOM 388 N ALA 57 31.433 17.589 23.963 1.00 0.00 ATOM 389 CA ALA 57 31.102 16.439 23.160 1.00 0.00 ATOM 390 CB ALA 57 31.985 16.381 21.923 1.00 0.00 ATOM 391 O ALA 57 30.790 14.997 25.048 1.00 0.00 ATOM 392 C ALA 57 31.295 15.138 23.935 1.00 0.00 ATOM 393 N ILE 58 32.032 14.228 23.311 1.00 0.00 ATOM 394 CA ILE 58 32.349 12.906 23.838 1.00 0.00 ATOM 395 CB ILE 58 32.271 11.828 22.740 1.00 0.00 ATOM 396 CG1 ILE 58 30.907 11.868 22.049 1.00 0.00 ATOM 397 CG2 ILE 58 32.467 10.444 23.339 1.00 0.00 ATOM 398 CD1 ILE 58 29.738 11.713 22.997 1.00 0.00 ATOM 399 O ILE 58 34.665 13.341 23.751 1.00 0.00 ATOM 400 C ILE 58 33.740 12.887 24.406 1.00 0.00 ATOM 401 N GLU 59 30.412 12.148 28.673 1.00 0.00 ATOM 402 CA GLU 59 29.996 13.007 27.553 1.00 0.00 ATOM 403 CB GLU 59 28.689 12.499 26.943 1.00 0.00 ATOM 404 CG GLU 59 28.805 11.143 26.267 1.00 0.00 ATOM 405 CD GLU 59 28.737 9.994 27.253 1.00 0.00 ATOM 406 OE1 GLU 59 28.550 10.256 28.460 1.00 0.00 ATOM 407 OE2 GLU 59 28.871 8.831 26.819 1.00 0.00 ATOM 408 O GLU 59 28.784 14.692 28.743 1.00 0.00 ATOM 409 C GLU 59 29.813 14.393 28.142 1.00 0.00 ATOM 410 N ASP 60 30.817 15.258 27.947 1.00 0.00 ATOM 411 CA ASP 60 30.718 16.605 28.459 1.00 0.00 ATOM 412 CB ASP 60 31.959 17.414 28.080 1.00 0.00 ATOM 413 CG ASP 60 33.185 17.008 28.874 1.00 0.00 ATOM 414 OD1 ASP 60 33.029 16.271 29.871 1.00 0.00 ATOM 415 OD2 ASP 60 34.300 17.425 28.500 1.00 0.00 ATOM 416 O ASP 60 28.936 18.243 28.583 1.00 0.00 ATOM 417 C ASP 60 29.485 17.358 27.905 1.00 0.00 ATOM 418 N VAL 61 29.047 17.086 26.652 1.00 0.00 ATOM 419 CA VAL 61 27.882 17.732 26.084 1.00 0.00 ATOM 420 CB VAL 61 27.661 17.496 24.549 1.00 0.00 ATOM 421 CG1 VAL 61 27.599 15.939 24.261 1.00 0.00 ATOM 422 CG2 VAL 61 26.504 18.306 23.982 1.00 0.00 ATOM 423 O VAL 61 25.795 18.283 27.161 1.00 0.00 ATOM 424 C VAL 61 26.648 17.404 26.909 1.00 0.00 ATOM 425 N ILE 62 26.506 16.128 27.291 1.00 0.00 ATOM 426 CA ILE 62 25.376 15.729 28.120 1.00 0.00 ATOM 427 CB ILE 62 25.298 14.199 28.270 1.00 0.00 ATOM 428 CG1 ILE 62 24.960 13.548 26.925 1.00 0.00 ATOM 429 CG2 ILE 62 24.223 13.815 29.275 1.00 0.00 ATOM 430 CD1 ILE 62 25.122 12.044 26.917 1.00 0.00 ATOM 431 O ILE 62 24.481 16.871 30.027 1.00 0.00 ATOM 432 C ILE 62 25.466 16.306 29.506 1.00 0.00 ATOM 433 N ALA 63 26.640 16.202 30.108 1.00 0.00 ATOM 434 CA ALA 63 26.847 16.713 31.484 1.00 0.00 ATOM 435 CB ALA 63 28.299 16.536 31.902 1.00 0.00 ATOM 436 O ALA 63 25.802 18.652 32.453 1.00 0.00 ATOM 437 C ALA 63 26.497 18.197 31.553 1.00 0.00 ATOM 438 N TYR 64 27.064 18.974 30.635 1.00 0.00 ATOM 439 CA TYR 64 26.817 20.435 30.677 1.00 0.00 ATOM 440 CB TYR 64 27.741 21.162 29.698 1.00 0.00 ATOM 441 CG TYR 64 29.181 21.239 30.156 1.00 0.00 ATOM 442 CD1 TYR 64 30.155 20.438 29.575 1.00 0.00 ATOM 443 CD2 TYR 64 29.559 22.111 31.169 1.00 0.00 ATOM 444 CE1 TYR 64 31.472 20.500 29.987 1.00 0.00 ATOM 445 CE2 TYR 64 30.873 22.187 31.593 1.00 0.00 ATOM 446 CZ TYR 64 31.830 21.372 30.992 1.00 0.00 ATOM 447 OH TYR 64 33.143 21.435 31.404 1.00 0.00 ATOM 448 O TYR 64 24.896 21.791 30.888 1.00 0.00 ATOM 449 C TYR 64 25.423 20.838 30.319 1.00 0.00 ATOM 450 N ASN 65 24.787 20.105 29.408 1.00 0.00 ATOM 451 CA ASN 65 23.367 20.292 29.148 1.00 0.00 ATOM 452 CB ASN 65 22.890 19.330 28.060 1.00 0.00 ATOM 453 CG ASN 65 21.438 19.546 27.685 1.00 0.00 ATOM 454 ND2 ASN 65 20.606 18.541 27.934 1.00 0.00 ATOM 455 OD1 ASN 65 21.068 20.607 27.179 1.00 0.00 ATOM 456 O ASN 65 21.704 20.832 30.772 1.00 0.00 ATOM 457 C ASN 65 22.555 20.030 30.417 1.00 0.00 ATOM 458 N HIS 66 22.860 18.933 31.113 1.00 0.00 ATOM 459 CA HIS 66 22.203 18.640 32.380 1.00 0.00 ATOM 460 CB HIS 66 22.684 17.299 32.938 1.00 0.00 ATOM 461 CG HIS 66 22.052 16.924 34.241 1.00 0.00 ATOM 462 CD2 HIS 66 22.493 16.852 35.627 1.00 0.00 ATOM 463 ND1 HIS 66 20.737 16.524 34.343 1.00 0.00 ATOM 464 CE1 HIS 66 20.459 16.254 35.632 1.00 0.00 ATOM 465 NE2 HIS 66 21.508 16.451 36.407 1.00 0.00 ATOM 466 O HIS 66 21.586 20.085 34.182 1.00 0.00 ATOM 467 C HIS 66 22.482 19.696 33.432 1.00 0.00 ATOM 468 N ASP 67 23.708 20.199 33.461 1.00 0.00 ATOM 469 CA ASP 67 24.037 21.266 34.390 1.00 0.00 ATOM 470 CB ASP 67 25.497 21.694 34.218 1.00 0.00 ATOM 471 CG ASP 67 26.473 20.665 34.752 1.00 0.00 ATOM 472 OD1 ASP 67 26.030 19.740 35.464 1.00 0.00 ATOM 473 OD2 ASP 67 27.681 20.784 34.457 1.00 0.00 ATOM 474 O ASP 67 22.578 23.086 35.061 1.00 0.00 ATOM 475 C ASP 67 23.132 22.477 34.131 1.00 0.00 ATOM 476 N TYR 68 23.011 22.852 32.871 1.00 0.00 ATOM 477 CA TYR 68 22.200 24.013 32.516 1.00 0.00 ATOM 478 CB TYR 68 22.499 24.475 31.062 1.00 0.00 ATOM 479 CG TYR 68 23.607 25.502 30.983 1.00 0.00 ATOM 480 CD1 TYR 68 24.907 25.159 31.345 1.00 0.00 ATOM 481 CD2 TYR 68 23.353 26.806 30.663 1.00 0.00 ATOM 482 CE1 TYR 68 25.936 26.090 31.294 1.00 0.00 ATOM 483 CE2 TYR 68 24.385 27.752 30.600 1.00 0.00 ATOM 484 CZ TYR 68 25.657 27.397 30.936 1.00 0.00 ATOM 485 OH TYR 68 26.659 28.363 30.858 1.00 0.00 ATOM 486 O TYR 68 19.997 24.710 33.159 1.00 0.00 ATOM 487 C TYR 68 20.702 23.798 32.743 1.00 0.00 ATOM 488 N GLY 69 20.209 22.579 32.530 1.00 0.00 ATOM 489 CA GLY 69 18.799 22.299 32.805 1.00 0.00 ATOM 490 O GLY 69 17.483 23.004 34.692 1.00 0.00 ATOM 491 C GLY 69 18.496 22.433 34.288 1.00 0.00 ATOM 492 N ILE 70 19.373 21.901 35.112 1.00 0.00 ATOM 493 CA ILE 70 19.155 21.846 36.588 1.00 0.00 ATOM 494 CB ILE 70 20.111 20.845 37.263 1.00 0.00 ATOM 495 CG1 ILE 70 19.892 19.438 36.702 1.00 0.00 ATOM 496 CG2 ILE 70 19.869 20.807 38.764 1.00 0.00 ATOM 497 CD1 ILE 70 18.488 18.913 36.899 1.00 0.00 ATOM 498 O ILE 70 18.624 23.666 38.110 1.00 0.00 ATOM 499 C ILE 70 19.394 23.225 37.221 1.00 0.00 ATOM 500 N GLN 71 20.437 23.930 36.767 1.00 0.00 ATOM 501 CA GLN 71 20.893 25.133 37.466 1.00 0.00 ATOM 502 CB GLN 71 22.421 25.187 37.500 1.00 0.00 ATOM 503 CG GLN 71 23.068 24.019 38.229 1.00 0.00 ATOM 504 CD GLN 71 22.625 23.919 39.675 1.00 0.00 ATOM 505 OE1 GLN 71 22.629 24.910 40.405 1.00 0.00 ATOM 506 NE2 GLN 71 22.243 22.718 40.094 1.00 0.00 ATOM 507 O GLN 71 20.282 27.436 37.569 1.00 0.00 ATOM 508 C GLN 71 20.435 26.437 36.838 1.00 0.00 ATOM 509 N LYS 72 20.260 26.438 35.515 1.00 0.00 ATOM 510 CA LYS 72 20.141 27.701 34.726 1.00 0.00 ATOM 511 CB LYS 72 21.375 27.898 33.842 1.00 0.00 ATOM 512 CG LYS 72 22.671 28.063 34.618 1.00 0.00 ATOM 513 CD LYS 72 22.679 29.358 35.413 1.00 0.00 ATOM 514 CE LYS 72 23.961 29.504 36.219 1.00 0.00 ATOM 515 NZ LYS 72 23.975 30.763 37.016 1.00 0.00 ATOM 516 O LYS 72 18.888 28.523 32.804 1.00 0.00 ATOM 517 C LYS 72 18.934 27.744 33.800 1.00 0.00 ATOM 518 N TYR 73 17.920 26.954 34.132 1.00 0.00 ATOM 519 CA TYR 73 16.630 26.961 33.426 1.00 0.00 ATOM 520 CB TYR 73 16.043 28.373 33.397 1.00 0.00 ATOM 521 CG TYR 73 15.818 28.973 34.766 1.00 0.00 ATOM 522 CD1 TYR 73 16.666 29.955 35.260 1.00 0.00 ATOM 523 CD2 TYR 73 14.759 28.553 35.562 1.00 0.00 ATOM 524 CE1 TYR 73 16.469 30.509 36.512 1.00 0.00 ATOM 525 CE2 TYR 73 14.546 29.095 36.814 1.00 0.00 ATOM 526 CZ TYR 73 15.413 30.081 37.286 1.00 0.00 ATOM 527 OH TYR 73 15.214 30.630 38.532 1.00 0.00 ATOM 528 O TYR 73 15.563 26.814 31.281 1.00 0.00 ATOM 529 C TYR 73 16.538 26.524 31.974 1.00 0.00 ATOM 533 N LYS 76 13.702 23.348 26.768 1.00 0.00 ATOM 534 CA LYS 76 13.608 22.097 26.058 1.00 0.00 ATOM 535 CB LYS 76 12.144 21.673 25.912 1.00 0.00 ATOM 536 CG LYS 76 11.954 20.322 25.243 1.00 0.00 ATOM 537 CD LYS 76 10.487 19.924 25.210 1.00 0.00 ATOM 538 CE LYS 76 10.294 18.581 24.526 1.00 0.00 ATOM 539 NZ LYS 76 8.863 18.171 24.500 1.00 0.00 ATOM 540 O LYS 76 13.943 23.187 23.897 1.00 0.00 ATOM 541 C LYS 76 14.214 22.201 24.642 1.00 0.00 ATOM 542 N GLU 77 15.046 21.225 24.288 1.00 0.00 ATOM 543 CA GLU 77 15.610 21.121 22.932 1.00 0.00 ATOM 544 CB GLU 77 14.670 21.768 21.911 1.00 0.00 ATOM 545 CG GLU 77 13.322 21.079 21.787 1.00 0.00 ATOM 546 CD GLU 77 13.445 19.631 21.352 1.00 0.00 ATOM 547 OE1 GLU 77 14.107 19.374 20.324 1.00 0.00 ATOM 548 OE2 GLU 77 12.879 18.754 22.039 1.00 0.00 ATOM 549 O GLU 77 17.585 21.642 21.684 1.00 0.00 ATOM 550 C GLU 77 16.961 21.794 22.745 1.00 0.00 ATOM 551 N TYR 78 17.413 22.549 23.737 1.00 0.00 ATOM 552 CA TYR 78 18.750 23.175 23.647 1.00 0.00 ATOM 553 CB TYR 78 18.789 24.475 24.455 1.00 0.00 ATOM 554 CG TYR 78 17.967 25.592 23.855 1.00 0.00 ATOM 555 CD1 TYR 78 16.666 25.826 24.281 1.00 0.00 ATOM 556 CD2 TYR 78 18.494 26.411 22.864 1.00 0.00 ATOM 557 CE1 TYR 78 15.907 26.847 23.740 1.00 0.00 ATOM 558 CE2 TYR 78 17.749 27.436 22.311 1.00 0.00 ATOM 559 CZ TYR 78 16.446 27.648 22.758 1.00 0.00 ATOM 560 OH TYR 78 15.693 28.665 22.217 1.00 0.00 ATOM 561 O TYR 78 19.701 21.634 25.235 1.00 0.00 ATOM 562 C TYR 78 19.843 22.269 24.183 1.00 0.00 ATOM 563 N TRP 79 20.956 22.249 23.454 1.00 0.00 ATOM 564 CA TRP 79 22.135 21.434 23.746 1.00 0.00 ATOM 565 CB TRP 79 22.418 20.468 22.594 1.00 0.00 ATOM 566 CG TRP 79 23.573 19.549 22.850 1.00 0.00 ATOM 567 CD1 TRP 79 24.168 19.298 24.052 1.00 0.00 ATOM 568 CD2 TRP 79 24.272 18.759 21.882 1.00 0.00 ATOM 569 CE2 TRP 79 25.280 18.053 22.568 1.00 0.00 ATOM 570 CE3 TRP 79 24.145 18.577 20.501 1.00 0.00 ATOM 571 NE1 TRP 79 25.196 18.399 23.894 1.00 0.00 ATOM 572 CZ2 TRP 79 26.157 17.182 21.922 1.00 0.00 ATOM 573 CZ3 TRP 79 25.015 17.713 19.865 1.00 0.00 ATOM 574 CH2 TRP 79 26.007 17.025 20.570 1.00 0.00 ATOM 575 O TRP 79 23.740 23.087 23.056 1.00 0.00 ATOM 576 C TRP 79 23.362 22.343 23.942 1.00 0.00 ATOM 577 N ALA 80 23.955 22.274 25.120 1.00 0.00 ATOM 578 CA ALA 80 25.089 23.118 25.457 1.00 0.00 ATOM 579 CB ALA 80 25.309 23.134 26.962 1.00 0.00 ATOM 580 O ALA 80 26.810 21.481 25.083 1.00 0.00 ATOM 581 C ALA 80 26.352 22.598 24.788 1.00 0.00 ATOM 582 N PHE 81 26.954 23.421 23.900 1.00 0.00 ATOM 583 CA PHE 81 28.194 22.983 23.214 1.00 0.00 ATOM 584 CB PHE 81 28.049 23.135 21.697 1.00 0.00 ATOM 585 CG PHE 81 27.862 24.554 21.246 1.00 0.00 ATOM 586 CD1 PHE 81 28.955 25.366 20.994 1.00 0.00 ATOM 587 CD2 PHE 81 26.594 25.081 21.072 1.00 0.00 ATOM 588 CE1 PHE 81 28.785 26.673 20.578 1.00 0.00 ATOM 589 CE2 PHE 81 26.422 26.387 20.656 1.00 0.00 ATOM 590 CZ PHE 81 27.511 27.182 20.409 1.00 0.00 ATOM 591 O PHE 81 30.559 23.353 23.347 1.00 0.00 ATOM 592 C PHE 81 29.457 23.777 23.613 1.00 0.00 ATOM 593 N GLY 82 29.256 24.929 24.249 1.00 0.00 ATOM 594 CA GLY 82 30.383 25.644 24.874 1.00 0.00 ATOM 595 O GLY 82 28.831 27.036 26.002 1.00 0.00 ATOM 596 C GLY 82 29.854 26.343 26.097 1.00 0.00 ATOM 597 N MET 83 30.517 26.139 27.225 1.00 0.00 ATOM 598 CA MET 83 30.146 26.762 28.482 1.00 0.00 ATOM 599 CB MET 83 30.156 25.733 29.614 1.00 0.00 ATOM 600 CG MET 83 29.776 26.300 30.972 1.00 0.00 ATOM 601 SD MET 83 29.819 25.059 32.279 1.00 0.00 ATOM 602 CE MET 83 29.278 26.029 33.684 1.00 0.00 ATOM 603 O MET 83 32.366 27.569 28.890 1.00 0.00 ATOM 604 C MET 83 31.177 27.863 28.760 1.00 0.00 ATOM 605 N ASP 84 30.678 29.089 28.891 1.00 0.00 ATOM 606 CA ASP 84 31.480 30.285 28.847 1.00 0.00 ATOM 607 CB ASP 84 31.166 31.095 27.588 1.00 0.00 ATOM 608 CG ASP 84 32.196 32.174 27.317 1.00 0.00 ATOM 609 OD1 ASP 84 33.404 31.895 27.474 1.00 0.00 ATOM 610 OD2 ASP 84 31.796 33.299 26.948 1.00 0.00 ATOM 611 O ASP 84 31.141 32.396 29.991 1.00 0.00 ATOM 612 C ASP 84 31.202 31.187 30.086 1.00 0.00 ATOM 613 N GLY 85 31.079 30.556 31.260 1.00 0.00 ATOM 614 CA GLY 85 31.097 31.162 32.577 1.00 0.00 ATOM 615 O GLY 85 29.324 31.757 34.107 1.00 0.00 ATOM 616 C GLY 85 29.820 31.917 32.986 1.00 0.00 ATOM 617 N ASP 86 29.331 32.792 32.107 1.00 0.00 ATOM 618 CA ASP 86 28.098 33.527 32.337 1.00 0.00 ATOM 619 CB ASP 86 28.335 35.031 32.190 1.00 0.00 ATOM 620 CG ASP 86 29.335 35.565 33.196 1.00 0.00 ATOM 621 OD1 ASP 86 29.185 35.265 34.399 1.00 0.00 ATOM 622 OD2 ASP 86 30.271 36.282 32.781 1.00 0.00 ATOM 623 O ASP 86 25.862 33.582 31.517 1.00 0.00 ATOM 624 C ASP 86 27.000 33.152 31.370 1.00 0.00 ATOM 625 N ILE 87 27.359 32.361 30.353 1.00 0.00 ATOM 626 CA ILE 87 26.457 31.968 29.322 1.00 0.00 ATOM 627 CB ILE 87 26.278 33.082 28.274 1.00 0.00 ATOM 628 CG1 ILE 87 27.621 33.424 27.625 1.00 0.00 ATOM 629 CG2 ILE 87 25.722 34.340 28.924 1.00 0.00 ATOM 630 CD1 ILE 87 27.504 34.347 26.431 1.00 0.00 ATOM 631 O ILE 87 28.184 30.390 28.766 1.00 0.00 ATOM 632 C ILE 87 27.005 30.727 28.626 1.00 0.00 ATOM 633 N GLY 88 26.154 30.073 27.844 1.00 0.00 ATOM 634 CA GLY 88 26.559 28.969 26.963 1.00 0.00 ATOM 635 O GLY 88 25.141 29.906 25.254 1.00 0.00 ATOM 636 C GLY 88 26.157 29.246 25.533 1.00 0.00 ATOM 637 N TYR 89 26.960 28.732 24.603 1.00 0.00 ATOM 638 CA TYR 89 26.507 28.578 23.222 1.00 0.00 ATOM 639 CB TYR 89 27.671 28.654 22.241 1.00 0.00 ATOM 640 CG TYR 89 28.217 30.045 22.052 1.00 0.00 ATOM 641 CD1 TYR 89 27.408 31.068 21.580 1.00 0.00 ATOM 642 CD2 TYR 89 29.546 30.351 22.404 1.00 0.00 ATOM 643 CE1 TYR 89 27.933 32.375 21.401 1.00 0.00 ATOM 644 CE2 TYR 89 30.058 31.653 22.214 1.00 0.00 ATOM 645 CZ TYR 89 29.225 32.631 21.715 1.00 0.00 ATOM 646 OH TYR 89 29.724 33.915 21.543 1.00 0.00 ATOM 647 O TYR 89 26.398 26.208 23.601 1.00 0.00 ATOM 648 C TYR 89 25.829 27.213 23.133 1.00 0.00 ATOM 649 N ILE 90 24.667 27.218 22.504 1.00 0.00 ATOM 650 CA ILE 90 23.822 26.026 22.444 1.00 0.00 ATOM 651 CB ILE 90 22.610 26.146 23.387 1.00 0.00 ATOM 652 CG1 ILE 90 23.074 26.248 24.842 1.00 0.00 ATOM 653 CG2 ILE 90 21.709 24.928 23.254 1.00 0.00 ATOM 654 CD1 ILE 90 21.973 26.629 25.808 1.00 0.00 ATOM 655 O ILE 90 23.124 26.734 20.279 1.00 0.00 ATOM 656 C ILE 90 23.292 25.800 21.050 1.00 0.00 ATOM 657 N LEU 91 23.059 24.540 20.729 1.00 0.00 ATOM 658 CA LEU 91 22.353 24.152 19.538 1.00 0.00 ATOM 659 CB LEU 91 22.729 22.712 19.142 1.00 0.00 ATOM 660 CG LEU 91 24.198 22.493 18.851 1.00 0.00 ATOM 661 CD1 LEU 91 24.428 20.990 18.575 1.00 0.00 ATOM 662 CD2 LEU 91 24.627 23.348 17.673 1.00 0.00 ATOM 663 O LEU 91 20.426 23.580 20.809 1.00 0.00 ATOM 664 C LEU 91 20.873 24.205 19.850 1.00 0.00 ATOM 665 N HIS 92 20.096 24.943 19.069 1.00 0.00 ATOM 666 CA HIS 92 18.653 24.954 19.264 1.00 0.00 ATOM 667 CB HIS 92 18.074 26.323 18.902 1.00 0.00 ATOM 668 CG HIS 92 16.637 26.492 19.284 1.00 0.00 ATOM 669 CD2 HIS 92 15.626 25.658 19.917 1.00 0.00 ATOM 670 ND1 HIS 92 15.939 27.658 19.059 1.00 0.00 ATOM 671 CE1 HIS 92 14.680 27.509 19.508 1.00 0.00 ATOM 672 NE2 HIS 92 14.486 26.311 20.024 1.00 0.00 ATOM 673 O HIS 92 17.653 24.189 17.221 1.00 0.00 ATOM 674 C HIS 92 18.074 23.884 18.358 1.00 0.00 ATOM 675 N LEU 93 17.980 22.647 18.851 1.00 0.00 ATOM 676 CA LEU 93 17.588 21.540 18.011 1.00 0.00 ATOM 677 CB LEU 93 17.920 20.209 18.688 1.00 0.00 ATOM 678 CG LEU 93 19.403 19.926 18.933 1.00 0.00 ATOM 679 CD1 LEU 93 19.582 18.627 19.706 1.00 0.00 ATOM 680 CD2 LEU 93 20.152 19.802 17.614 1.00 0.00 ATOM 681 O LEU 93 15.665 20.755 16.838 1.00 0.00 ATOM 682 C LEU 93 16.088 21.520 17.698 1.00 0.00 ATOM 683 N SER 94 15.291 22.365 18.360 1.00 0.00 ATOM 684 CA SER 94 13.893 22.604 17.948 1.00 0.00 ATOM 685 CB SER 94 13.192 23.529 18.945 1.00 0.00 ATOM 686 OG SER 94 11.854 23.782 18.553 1.00 0.00 ATOM 687 O SER 94 12.698 23.199 15.923 1.00 0.00 ATOM 688 C SER 94 13.752 23.263 16.559 1.00 0.00 ATOM 689 N ASP 95 16.415 22.122 10.278 1.00 0.00 ATOM 690 CA ASP 95 16.031 22.149 8.858 1.00 0.00 ATOM 691 CB ASP 95 15.677 23.572 8.425 1.00 0.00 ATOM 692 CG ASP 95 14.344 24.037 8.981 1.00 0.00 ATOM 693 OD1 ASP 95 13.609 23.196 9.538 1.00 0.00 ATOM 694 OD2 ASP 95 14.038 25.242 8.860 1.00 0.00 ATOM 695 O ASP 95 18.313 22.102 8.182 1.00 0.00 ATOM 696 C ASP 95 17.171 21.655 8.003 1.00 0.00 ATOM 697 N ASN 96 16.893 20.692 7.115 1.00 0.00 ATOM 698 CA ASN 96 17.904 20.118 6.235 1.00 0.00 ATOM 699 CB ASN 96 18.389 21.160 5.224 1.00 0.00 ATOM 700 CG ASN 96 17.302 21.582 4.255 1.00 0.00 ATOM 701 ND2 ASN 96 17.397 22.810 3.760 1.00 0.00 ATOM 702 OD1 ASN 96 16.390 20.810 3.957 1.00 0.00 ATOM 703 O ASN 96 20.265 19.827 6.679 1.00 0.00 ATOM 704 C ASN 96 19.100 19.637 7.061 1.00 0.00 ATOM 705 N SER 97 18.780 19.064 8.219 1.00 0.00 ATOM 706 CA SER 97 19.771 18.449 9.085 1.00 0.00 ATOM 707 CB SER 97 20.740 17.592 8.268 1.00 0.00 ATOM 708 OG SER 97 20.051 16.569 7.569 1.00 0.00 ATOM 709 O SER 97 21.587 18.916 10.529 1.00 0.00 ATOM 710 C SER 97 20.661 19.387 9.895 1.00 0.00 ATOM 711 N ILE 98 20.331 20.681 9.921 1.00 0.00 ATOM 712 CA ILE 98 21.092 21.649 10.688 1.00 0.00 ATOM 713 CB ILE 98 21.905 22.581 9.772 1.00 0.00 ATOM 714 CG1 ILE 98 20.974 23.350 8.833 1.00 0.00 ATOM 715 CG2 ILE 98 22.884 21.778 8.929 1.00 0.00 ATOM 716 CD1 ILE 98 21.671 24.426 8.028 1.00 0.00 ATOM 717 O ILE 98 18.997 22.699 11.164 1.00 0.00 ATOM 718 C ILE 98 20.162 22.497 11.514 1.00 0.00 ATOM 719 N TYR 99 20.724 23.001 12.606 1.00 0.00 ATOM 720 CA TYR 99 20.045 23.925 13.488 1.00 0.00 ATOM 721 CB TYR 99 19.527 23.197 14.730 1.00 0.00 ATOM 722 CG TYR 99 18.559 22.075 14.423 1.00 0.00 ATOM 723 CD1 TYR 99 19.013 20.778 14.232 1.00 0.00 ATOM 724 CD2 TYR 99 17.195 22.320 14.326 1.00 0.00 ATOM 725 CE1 TYR 99 18.135 19.746 13.951 1.00 0.00 ATOM 726 CE2 TYR 99 16.304 21.301 14.046 1.00 0.00 ATOM 727 CZ TYR 99 16.786 20.007 13.859 1.00 0.00 ATOM 728 OH TYR 99 15.911 18.983 13.580 1.00 0.00 ATOM 729 O TYR 99 22.229 24.862 13.812 1.00 0.00 ATOM 730 C TYR 99 21.015 25.019 13.925 1.00 0.00 ATOM 731 N ARG 100 20.457 26.151 14.378 1.00 0.00 ATOM 732 CA ARG 100 21.262 27.295 14.721 1.00 0.00 ATOM 733 CB ARG 100 20.390 28.546 14.845 1.00 0.00 ATOM 734 CG ARG 100 19.764 29.000 13.536 1.00 0.00 ATOM 735 CD ARG 100 18.992 30.296 13.715 1.00 0.00 ATOM 736 NE ARG 100 18.417 30.768 12.456 1.00 0.00 ATOM 737 CZ ARG 100 17.729 31.898 12.327 1.00 0.00 ATOM 738 NH1 ARG 100 17.243 32.245 11.143 1.00 0.00 ATOM 739 NH2 ARG 100 17.527 32.676 13.381 1.00 0.00 ATOM 740 O ARG 100 21.649 26.271 16.882 1.00 0.00 ATOM 741 C ARG 100 21.994 27.114 16.046 1.00 0.00 ATOM 742 N VAL 101 23.013 27.952 16.225 1.00 0.00 ATOM 743 CA VAL 101 23.726 28.111 17.457 1.00 0.00 ATOM 744 CB VAL 101 25.284 28.143 17.299 1.00 0.00 ATOM 745 CG1 VAL 101 26.035 28.365 18.630 1.00 0.00 ATOM 746 CG2 VAL 101 25.793 26.883 16.628 1.00 0.00 ATOM 747 O VAL 101 23.115 30.454 17.369 1.00 0.00 ATOM 748 C VAL 101 23.231 29.419 18.065 1.00 0.00 ATOM 749 N ASP 102 22.899 29.351 19.350 1.00 0.00 ATOM 750 CA ASP 102 22.288 30.467 20.072 1.00 0.00 ATOM 751 CB ASP 102 20.822 30.161 20.391 1.00 0.00 ATOM 752 CG ASP 102 20.666 29.000 21.352 1.00 0.00 ATOM 753 OD1 ASP 102 21.121 29.120 22.509 1.00 0.00 ATOM 754 OD2 ASP 102 20.087 27.969 20.948 1.00 0.00 ATOM 755 O ASP 102 23.750 29.811 21.903 1.00 0.00 ATOM 756 C ASP 102 23.043 30.691 21.369 1.00 0.00 ATOM 757 N LEU 103 22.872 31.880 21.946 1.00 0.00 ATOM 758 CA LEU 103 23.440 32.181 23.246 1.00 0.00 ATOM 759 CB LEU 103 23.954 33.620 23.288 1.00 0.00 ATOM 760 CG LEU 103 24.548 34.091 24.617 1.00 0.00 ATOM 761 CD1 LEU 103 25.834 33.340 24.927 1.00 0.00 ATOM 762 CD2 LEU 103 24.865 35.577 24.569 1.00 0.00 ATOM 763 O LEU 103 21.260 32.533 24.202 1.00 0.00 ATOM 764 C LEU 103 22.369 32.006 24.332 1.00 0.00 ATOM 765 N GLY 104 22.704 31.288 25.409 1.00 0.00 ATOM 766 CA GLY 104 21.834 31.152 26.556 1.00 0.00 ATOM 767 O GLY 104 23.476 31.187 28.254 1.00 0.00 ATOM 768 C GLY 104 22.502 31.731 27.769 1.00 0.00 ATOM 769 N ASP 105 22.012 32.871 28.252 1.00 0.00 ATOM 770 CA ASP 105 22.570 33.500 29.462 1.00 0.00 ATOM 771 CB ASP 105 22.048 34.968 29.497 1.00 0.00 ATOM 772 CG ASP 105 22.584 35.738 30.674 1.00 0.00 ATOM 773 OD1 ASP 105 22.037 35.597 31.790 1.00 0.00 ATOM 774 OD2 ASP 105 23.577 36.457 30.483 1.00 0.00 ATOM 775 O ASP 105 20.954 32.374 30.814 1.00 0.00 ATOM 776 C ASP 105 22.121 32.779 30.707 1.00 0.00 ATOM 777 N LEU 106 23.048 32.519 31.619 1.00 0.00 ATOM 778 CA LEU 106 22.738 31.686 32.784 1.00 0.00 ATOM 779 CB LEU 106 23.968 31.539 33.681 1.00 0.00 ATOM 780 CG LEU 106 25.141 30.746 33.099 1.00 0.00 ATOM 781 CD1 LEU 106 26.338 30.793 34.035 1.00 0.00 ATOM 782 CD2 LEU 106 24.755 29.289 32.895 1.00 0.00 ATOM 783 O LEU 106 21.021 31.471 34.426 1.00 0.00 ATOM 784 C LEU 106 21.625 32.229 33.668 1.00 0.00 ATOM 785 N ASP 107 21.387 33.520 33.605 1.00 0.00 ATOM 786 CA ASP 107 20.312 34.118 34.393 1.00 0.00 ATOM 787 CB ASP 107 20.760 35.456 34.983 1.00 0.00 ATOM 788 CG ASP 107 21.945 35.316 35.916 1.00 0.00 ATOM 789 OD1 ASP 107 21.848 34.535 36.885 1.00 0.00 ATOM 790 OD2 ASP 107 22.972 35.986 35.677 1.00 0.00 ATOM 791 O ASP 107 17.954 33.878 33.845 1.00 0.00 ATOM 792 C ASP 107 19.067 34.364 33.513 1.00 0.00 ATOM 793 N ILE 108 19.220 35.061 32.382 1.00 0.00 ATOM 794 CA ILE 108 18.070 35.511 31.632 1.00 0.00 ATOM 795 CB ILE 108 18.182 37.018 31.330 1.00 0.00 ATOM 796 CG1 ILE 108 19.291 37.313 30.329 1.00 0.00 ATOM 797 CG2 ILE 108 18.321 37.767 32.700 1.00 0.00 ATOM 798 CD1 ILE 108 19.444 38.818 30.045 1.00 0.00 ATOM 799 O ILE 108 16.657 34.939 29.780 1.00 0.00 ATOM 800 C ILE 108 17.681 34.680 30.406 1.00 0.00 ATOM 801 N THR 109 18.485 33.676 30.091 1.00 0.00 ATOM 802 CA THR 109 18.129 32.744 29.056 1.00 0.00 ATOM 803 CB THR 109 16.618 32.448 29.057 1.00 0.00 ATOM 804 CG2 THR 109 16.192 31.856 30.391 1.00 0.00 ATOM 805 OG1 THR 109 15.890 33.664 28.836 1.00 0.00 ATOM 806 O THR 109 19.460 33.650 27.327 1.00 0.00 ATOM 807 C THR 109 18.419 33.126 27.631 1.00 0.00 ATOM 808 N SER 110 17.484 32.801 26.768 1.00 0.00 ATOM 809 CA SER 110 17.694 32.740 25.318 1.00 0.00 ATOM 810 CB SER 110 16.489 32.096 24.630 1.00 0.00 ATOM 811 OG SER 110 16.647 32.094 23.222 1.00 0.00 ATOM 812 O SER 110 16.995 35.008 24.956 1.00 0.00 ATOM 813 C SER 110 17.875 34.146 24.809 1.00 0.00 ATOM 814 N ILE 111 18.996 34.377 24.166 1.00 0.00 ATOM 815 CA ILE 111 19.221 35.646 23.527 1.00 0.00 ATOM 816 CB ILE 111 20.370 36.420 24.198 1.00 0.00 ATOM 817 CG1 ILE 111 20.023 36.734 25.654 1.00 0.00 ATOM 818 CG2 ILE 111 20.625 37.733 23.471 1.00 0.00 ATOM 819 CD1 ILE 111 21.179 37.305 26.448 1.00 0.00 ATOM 820 O ILE 111 18.777 34.870 21.285 1.00 0.00 ATOM 821 C ILE 111 19.582 35.429 22.058 1.00 0.00 ATOM 822 N LYS 112 20.772 35.827 21.655 1.00 0.00 ATOM 823 CA LYS 112 21.011 35.986 20.236 1.00 0.00 ATOM 824 CB LYS 112 22.281 36.804 19.995 1.00 0.00 ATOM 825 CG LYS 112 22.175 38.258 20.429 1.00 0.00 ATOM 826 CD LYS 112 23.463 39.014 20.143 1.00 0.00 ATOM 827 CE LYS 112 23.351 40.471 20.561 1.00 0.00 ATOM 828 NZ LYS 112 24.610 41.222 20.301 1.00 0.00 ATOM 829 O LYS 112 21.640 33.679 20.097 1.00 0.00 ATOM 830 C LYS 112 21.185 34.650 19.525 1.00 0.00 ATOM 831 N TYR 113 20.804 34.626 18.272 1.00 0.00 ATOM 832 CA TYR 113 21.236 33.587 17.371 1.00 0.00 ATOM 833 CB TYR 113 20.192 33.359 16.276 1.00 0.00 ATOM 834 CG TYR 113 18.919 32.706 16.770 1.00 0.00 ATOM 835 CD1 TYR 113 17.824 33.475 17.139 1.00 0.00 ATOM 836 CD2 TYR 113 18.819 31.325 16.865 1.00 0.00 ATOM 837 CE1 TYR 113 16.657 32.888 17.590 1.00 0.00 ATOM 838 CE2 TYR 113 17.661 30.720 17.315 1.00 0.00 ATOM 839 CZ TYR 113 16.575 31.515 17.680 1.00 0.00 ATOM 840 OH TYR 113 15.416 30.929 18.131 1.00 0.00 ATOM 841 O TYR 113 22.628 35.129 16.204 1.00 0.00 ATOM 842 C TYR 113 22.537 34.022 16.747 1.00 0.00 ATOM 843 N ILE 114 23.551 33.160 16.761 1.00 0.00 ATOM 844 CA ILE 114 24.868 33.562 16.312 1.00 0.00 ATOM 845 CB ILE 114 25.931 33.319 17.399 1.00 0.00 ATOM 846 CG1 ILE 114 26.010 31.831 17.747 1.00 0.00 ATOM 847 CG2 ILE 114 25.589 34.092 18.664 1.00 0.00 ATOM 848 CD1 ILE 114 27.198 31.466 18.608 1.00 0.00 ATOM 849 O ILE 114 26.337 33.311 14.465 1.00 0.00 ATOM 850 C ILE 114 25.387 32.842 15.079 1.00 0.00 ATOM 851 N ALA 115 24.771 31.738 14.676 1.00 0.00 ATOM 852 CA ALA 115 25.200 31.028 13.464 1.00 0.00 ATOM 853 CB ALA 115 26.450 30.183 13.722 1.00 0.00 ATOM 854 O ALA 115 23.240 29.757 13.843 1.00 0.00 ATOM 855 C ALA 115 24.066 30.157 13.015 1.00 0.00 ATOM 856 N PRO 116 24.025 29.876 11.718 1.00 0.00 ATOM 857 CA PRO 116 22.999 29.032 11.145 1.00 0.00 ATOM 858 CB PRO 116 22.957 29.446 9.673 1.00 0.00 ATOM 859 CG PRO 116 24.347 29.899 9.373 1.00 0.00 ATOM 860 CD PRO 116 24.849 30.563 10.624 1.00 0.00 ATOM 861 O PRO 116 22.454 26.710 11.005 1.00 0.00 ATOM 862 C PRO 116 23.293 27.541 11.267 1.00 0.00 ATOM 863 N SER 117 24.511 27.214 11.651 1.00 0.00 ATOM 864 CA SER 117 24.887 25.805 11.865 1.00 0.00 ATOM 865 CB SER 117 25.246 25.112 10.562 1.00 0.00 ATOM 866 OG SER 117 26.471 25.573 10.038 1.00 0.00 ATOM 867 O SER 117 26.849 26.694 12.917 1.00 0.00 ATOM 868 C SER 117 26.068 25.728 12.799 1.00 0.00 ATOM 869 N PHE 118 26.243 24.566 13.425 1.00 0.00 ATOM 870 CA PHE 118 27.404 24.304 14.246 1.00 0.00 ATOM 871 CB PHE 118 27.433 22.853 14.827 1.00 0.00 ATOM 872 CG PHE 118 28.751 22.537 15.457 1.00 0.00 ATOM 873 CD1 PHE 118 29.081 23.102 16.652 1.00 0.00 ATOM 874 CD2 PHE 118 29.713 21.828 14.775 1.00 0.00 ATOM 875 CE1 PHE 118 30.309 22.883 17.240 1.00 0.00 ATOM 876 CE2 PHE 118 30.942 21.601 15.337 1.00 0.00 ATOM 877 CZ PHE 118 31.245 22.143 16.550 1.00 0.00 ATOM 878 O PHE 118 29.589 25.224 13.972 1.00 0.00 ATOM 879 C PHE 118 28.702 24.554 13.490 1.00 0.00 ATOM 880 N ASP 119 28.848 23.979 12.299 1.00 0.00 ATOM 881 CA ASP 119 30.132 24.011 11.612 1.00 0.00 ATOM 882 CB ASP 119 30.087 23.143 10.352 1.00 0.00 ATOM 883 CG ASP 119 31.434 23.045 9.665 1.00 0.00 ATOM 884 OD1 ASP 119 32.385 22.530 10.290 1.00 0.00 ATOM 885 OD2 ASP 119 31.540 23.483 8.499 1.00 0.00 ATOM 886 O ASP 119 31.675 25.870 11.279 1.00 0.00 ATOM 887 C ASP 119 30.486 25.456 11.198 1.00 0.00 ATOM 888 N ASP 120 29.465 26.239 10.803 1.00 0.00 ATOM 889 CA ASP 120 29.723 27.665 10.548 1.00 0.00 ATOM 890 CB ASP 120 28.448 28.363 10.070 1.00 0.00 ATOM 891 CG ASP 120 28.068 27.979 8.653 1.00 0.00 ATOM 892 OD1 ASP 120 28.908 27.367 7.960 1.00 0.00 ATOM 893 OD2 ASP 120 26.933 28.289 8.238 1.00 0.00 ATOM 894 O ASP 120 31.180 29.173 11.720 1.00 0.00 ATOM 895 C ASP 120 30.208 28.408 11.784 1.00 0.00 ATOM 896 N PHE 121 29.533 28.208 12.910 1.00 0.00 ATOM 897 CA PHE 121 29.948 28.774 14.195 1.00 0.00 ATOM 898 CB PHE 121 29.001 28.276 15.301 1.00 0.00 ATOM 899 CG PHE 121 29.526 28.459 16.722 1.00 0.00 ATOM 900 CD1 PHE 121 29.383 29.686 17.360 1.00 0.00 ATOM 901 CD2 PHE 121 30.068 27.401 17.435 1.00 0.00 ATOM 902 CE1 PHE 121 29.815 29.862 18.650 1.00 0.00 ATOM 903 CE2 PHE 121 30.535 27.582 18.707 1.00 0.00 ATOM 904 CZ PHE 121 30.372 28.798 19.336 1.00 0.00 ATOM 905 O PHE 121 32.227 29.299 14.831 1.00 0.00 ATOM 906 C PHE 121 31.399 28.432 14.489 1.00 0.00 ATOM 907 N LEU 122 31.706 27.124 14.453 1.00 0.00 ATOM 908 CA LEU 122 33.007 26.625 14.830 1.00 0.00 ATOM 909 CB LEU 122 33.033 25.095 14.768 1.00 0.00 ATOM 910 CG LEU 122 34.359 24.425 15.127 1.00 0.00 ATOM 911 CD1 LEU 122 34.750 24.741 16.565 1.00 0.00 ATOM 912 CD2 LEU 122 34.255 22.915 14.985 1.00 0.00 ATOM 913 O LEU 122 35.158 27.597 14.387 1.00 0.00 ATOM 914 C LEU 122 34.115 27.140 13.910 1.00 0.00 ATOM 915 N GLY 123 33.877 27.084 12.598 1.00 0.00 ATOM 916 CA GLY 123 34.902 27.524 11.649 1.00 0.00 ATOM 917 O GLY 123 36.346 29.423 11.806 1.00 0.00 ATOM 918 C GLY 123 35.201 29.012 11.815 1.00 0.00 ATOM 919 N LYS 124 34.143 29.802 11.994 1.00 0.00 ATOM 920 CA LYS 124 34.307 31.245 12.233 1.00 0.00 ATOM 921 CB LYS 124 32.955 31.896 12.531 1.00 0.00 ATOM 922 CG LYS 124 33.024 33.400 12.741 1.00 0.00 ATOM 923 CD LYS 124 31.643 33.987 12.982 1.00 0.00 ATOM 924 CE LYS 124 31.714 35.485 13.228 1.00 0.00 ATOM 925 NZ LYS 124 30.365 36.079 13.440 1.00 0.00 ATOM 926 O LYS 124 36.277 32.149 13.348 1.00 0.00 ATOM 927 C LYS 124 35.241 31.464 13.435 1.00 0.00 ATOM 928 N ALA 125 34.864 30.869 14.562 1.00 0.00 ATOM 929 CA ALA 125 35.595 31.058 15.799 1.00 0.00 ATOM 930 CB ALA 125 34.976 30.231 16.915 1.00 0.00 ATOM 931 O ALA 125 37.948 31.355 16.188 1.00 0.00 ATOM 932 C ALA 125 37.058 30.648 15.698 1.00 0.00 ATOM 933 N ILE 126 37.324 29.472 15.122 1.00 0.00 ATOM 934 CA ILE 126 38.697 29.013 15.094 1.00 0.00 ATOM 935 CB ILE 126 38.816 27.502 14.795 1.00 0.00 ATOM 936 CG1 ILE 126 38.337 27.171 13.366 1.00 0.00 ATOM 937 CG2 ILE 126 38.068 26.765 15.920 1.00 0.00 ATOM 938 CD1 ILE 126 38.333 25.604 13.075 1.00 0.00 ATOM 939 O ILE 126 40.751 30.077 14.466 1.00 0.00 ATOM 940 C ILE 126 39.564 29.902 14.181 1.00 0.00 ATOM 941 N TYR 127 38.975 30.398 13.091 1.00 0.00 ATOM 942 CA TYR 127 39.696 31.345 12.247 1.00 0.00 ATOM 943 CB TYR 127 38.861 31.708 11.017 1.00 0.00 ATOM 944 CG TYR 127 39.524 32.709 10.100 1.00 0.00 ATOM 945 CD1 TYR 127 40.526 32.317 9.222 1.00 0.00 ATOM 946 CD2 TYR 127 39.148 34.047 10.115 1.00 0.00 ATOM 947 CE1 TYR 127 41.139 33.225 8.381 1.00 0.00 ATOM 948 CE2 TYR 127 39.749 34.969 9.280 1.00 0.00 ATOM 949 CZ TYR 127 40.752 34.548 8.410 1.00 0.00 ATOM 950 OH TYR 127 41.361 35.454 7.572 1.00 0.00 ATOM 951 O TYR 127 41.181 33.140 12.907 1.00 0.00 ATOM 952 C TYR 127 40.027 32.645 12.966 1.00 0.00 ATOM 953 N LEU 128 39.059 33.181 13.679 1.00 0.00 ATOM 954 CA LEU 128 39.277 34.388 14.505 1.00 0.00 ATOM 955 CB LEU 128 37.985 34.789 15.220 1.00 0.00 ATOM 956 CG LEU 128 38.065 36.017 16.127 1.00 0.00 ATOM 957 CD1 LEU 128 38.440 37.255 15.326 1.00 0.00 ATOM 958 CD2 LEU 128 36.727 36.276 16.802 1.00 0.00 ATOM 959 O LEU 128 41.230 34.974 15.791 1.00 0.00 ATOM 960 C LEU 128 40.355 34.138 15.571 1.00 0.00 ATOM 961 N ASN 129 40.265 32.994 16.242 1.00 0.00 ATOM 962 CA ASN 129 41.161 32.698 17.332 1.00 0.00 ATOM 963 CB ASN 129 40.734 31.413 18.043 1.00 0.00 ATOM 964 CG ASN 129 39.481 31.597 18.877 1.00 0.00 ATOM 965 ND2 ASN 129 38.801 30.495 19.170 1.00 0.00 ATOM 966 OD1 ASN 129 39.132 32.716 19.251 1.00 0.00 ATOM 967 O ASN 129 43.542 32.949 17.424 1.00 0.00 ATOM 968 C ASN 129 42.579 32.519 16.791 1.00 0.00 ATOM 969 N PHE 130 42.736 31.914 15.605 1.00 0.00 ATOM 970 CA PHE 130 44.076 31.834 15.001 1.00 0.00 ATOM 971 CB PHE 130 44.013 31.120 13.650 1.00 0.00 ATOM 972 CG PHE 130 45.344 31.003 12.964 1.00 0.00 ATOM 973 CD1 PHE 130 46.256 30.034 13.348 1.00 0.00 ATOM 974 CD2 PHE 130 45.686 31.862 11.935 1.00 0.00 ATOM 975 CE1 PHE 130 47.480 29.926 12.716 1.00 0.00 ATOM 976 CE2 PHE 130 46.912 31.755 11.303 1.00 0.00 ATOM 977 CZ PHE 130 47.806 30.792 11.691 1.00 0.00 ATOM 978 O PHE 130 45.794 33.496 15.096 1.00 0.00 ATOM 979 C PHE 130 44.623 33.226 14.793 1.00 0.00 ATOM 980 N ASN 131 43.763 34.113 14.310 1.00 0.00 ATOM 981 CA ASN 131 44.204 35.524 14.126 1.00 0.00 ATOM 982 CB ASN 131 43.074 36.367 13.530 1.00 0.00 ATOM 983 CG ASN 131 42.831 36.060 12.065 1.00 0.00 ATOM 984 ND2 ASN 131 41.648 36.416 11.577 1.00 0.00 ATOM 985 OD1 ASN 131 43.697 35.511 11.385 1.00 0.00 ATOM 986 O ASN 131 45.603 36.960 15.527 1.00 0.00 ATOM 987 C ASN 131 44.623 36.187 15.467 1.00 0.00 ATOM 988 N LYS 132 43.871 35.931 16.517 1.00 0.00 ATOM 989 CA LYS 132 44.132 36.458 17.846 1.00 0.00 ATOM 990 CB LYS 132 43.023 36.042 18.814 1.00 0.00 ATOM 991 CG LYS 132 41.689 36.725 18.562 1.00 0.00 ATOM 992 CD LYS 132 40.634 36.262 19.554 1.00 0.00 ATOM 993 CE LYS 132 39.299 36.942 19.298 1.00 0.00 ATOM 994 NZ LYS 132 38.247 36.472 20.242 1.00 0.00 ATOM 995 O LYS 132 46.114 36.666 19.226 1.00 0.00 ATOM 996 C LYS 132 45.459 35.958 18.431 1.00 0.00 ATOM 997 N LEU 133 45.829 34.727 18.070 1.00 0.00 ATOM 998 CA LEU 133 46.874 34.080 18.824 1.00 0.00 ATOM 999 CB LEU 133 46.387 32.739 19.374 1.00 0.00 ATOM 1000 CG LEU 133 45.136 32.781 20.254 1.00 0.00 ATOM 1001 CD1 LEU 133 44.654 31.373 20.571 1.00 0.00 ATOM 1002 CD2 LEU 133 45.426 33.491 21.567 1.00 0.00 ATOM 1003 O LEU 133 49.291 33.755 18.686 1.00 0.00 ATOM 1004 C LEU 133 48.203 33.736 18.092 1.00 0.00 TER END