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 5 Tue Jun 3 18:30:51 2008 MODEL 5 PARENT 3bs1_A REMARK 7 REMARK 7 ALLPARENTS 3bs1_A ATOM 1 N GLY 1 35.777 23.778 30.981 1.00 0.00 ATOM 2 CA GLY 1 36.728 23.405 32.021 1.00 0.00 ATOM 3 O GLY 1 36.732 22.321 34.131 1.00 0.00 ATOM 4 C GLY 1 36.075 22.970 33.324 1.00 0.00 ATOM 5 N LYS 2 34.752 23.081 33.421 1.00 0.00 ATOM 6 CA LYS 2 34.028 22.678 34.620 1.00 0.00 ATOM 7 CB LYS 2 33.357 23.906 35.227 1.00 0.00 ATOM 8 CG LYS 2 34.328 25.034 35.592 1.00 0.00 ATOM 9 CD LYS 2 35.355 24.687 36.656 1.00 0.00 ATOM 10 CE LYS 2 36.067 25.950 37.101 1.00 0.00 ATOM 11 NZ LYS 2 36.692 25.738 38.397 1.00 0.00 ATOM 12 O LYS 2 32.103 21.569 33.616 1.00 0.00 ATOM 13 C LYS 2 33.036 21.519 34.409 1.00 0.00 ATOM 14 N SER 3 33.379 20.396 35.027 1.00 0.00 ATOM 15 CA SER 3 32.559 19.160 34.934 1.00 0.00 ATOM 16 CB SER 3 33.332 17.858 35.159 1.00 0.00 ATOM 17 OG SER 3 34.371 17.698 34.193 1.00 0.00 ATOM 18 O SER 3 30.425 18.425 35.735 1.00 0.00 ATOM 19 C SER 3 31.397 19.151 35.915 1.00 0.00 ATOM 20 N VAL 4 31.512 19.990 36.940 1.00 0.00 ATOM 21 CA VAL 4 30.487 20.121 37.988 1.00 0.00 ATOM 22 CB VAL 4 30.900 19.406 39.285 1.00 0.00 ATOM 23 CG1 VAL 4 31.033 17.903 39.057 1.00 0.00 ATOM 24 CG2 VAL 4 32.221 19.946 39.836 1.00 0.00 ATOM 25 O VAL 4 30.963 22.490 37.914 1.00 0.00 ATOM 26 C VAL 4 30.170 21.601 38.238 1.00 0.00 ATOM 27 N VAL 5 28.974 21.784 38.765 1.00 0.00 ATOM 28 CA VAL 5 28.437 23.114 39.087 1.00 0.00 ATOM 29 CB VAL 5 27.147 23.409 38.322 1.00 0.00 ATOM 30 CG1 VAL 5 26.595 24.779 38.708 1.00 0.00 ATOM 31 CG2 VAL 5 27.406 23.424 36.823 1.00 0.00 ATOM 32 O VAL 5 27.651 22.141 41.110 1.00 0.00 ATOM 33 C VAL 5 28.132 23.101 40.584 1.00 0.00 ATOM 34 N THR 6 28.532 24.163 41.216 1.00 0.00 ATOM 35 CA THR 6 28.170 24.319 42.649 1.00 0.00 ATOM 36 CB THR 6 29.346 24.682 43.575 1.00 0.00 ATOM 37 CG2 THR 6 30.517 23.741 43.289 1.00 0.00 ATOM 38 OG1 THR 6 29.779 26.026 43.418 1.00 0.00 ATOM 39 O THR 6 26.917 26.362 42.202 1.00 0.00 ATOM 40 C THR 6 26.988 25.273 42.761 1.00 0.00 ATOM 41 N LEU 7 25.922 24.697 43.259 1.00 0.00 ATOM 42 CA LEU 7 24.683 25.432 43.494 1.00 0.00 ATOM 43 CB LEU 7 23.478 24.651 42.893 1.00 0.00 ATOM 44 CG LEU 7 23.592 24.297 41.411 1.00 0.00 ATOM 45 CD1 LEU 7 22.476 23.294 41.020 1.00 0.00 ATOM 46 CD2 LEU 7 23.567 25.626 40.574 1.00 0.00 ATOM 47 O LEU 7 24.720 24.749 45.792 1.00 0.00 ATOM 48 C LEU 7 24.592 25.680 45.006 1.00 0.00 ATOM 49 N LYS 8 24.489 26.954 45.352 1.00 0.00 ATOM 50 CA LYS 8 24.570 27.385 46.767 1.00 0.00 ATOM 51 CB LYS 8 25.603 28.510 46.823 1.00 0.00 ATOM 52 CG LYS 8 25.717 29.198 48.192 1.00 0.00 ATOM 53 CD LYS 8 26.426 30.555 48.115 1.00 0.00 ATOM 54 CE LYS 8 25.717 31.518 47.169 1.00 0.00 ATOM 55 NZ LYS 8 25.753 32.890 47.689 1.00 0.00 ATOM 56 O LYS 8 22.555 28.731 46.806 1.00 0.00 ATOM 57 C LYS 8 23.215 27.828 47.336 1.00 0.00 ATOM 58 N THR 9 23.011 27.424 48.581 1.00 0.00 ATOM 59 CA THR 9 21.829 27.875 49.350 1.00 0.00 ATOM 60 CB THR 9 20.795 26.759 49.581 1.00 0.00 ATOM 61 CG2 THR 9 19.556 27.286 50.317 1.00 0.00 ATOM 62 OG1 THR 9 20.349 26.310 48.311 1.00 0.00 ATOM 63 O THR 9 22.673 27.412 51.480 1.00 0.00 ATOM 64 C THR 9 22.354 28.289 50.704 1.00 0.00 ATOM 65 N THR 10 22.480 29.609 50.884 1.00 0.00 ATOM 66 CA THR 10 23.118 30.183 52.092 1.00 0.00 ATOM 67 CB THR 10 22.366 29.849 53.401 1.00 0.00 ATOM 68 CG2 THR 10 20.915 30.220 53.204 1.00 0.00 ATOM 69 OG1 THR 10 22.375 28.467 53.740 1.00 0.00 ATOM 70 O THR 10 25.249 29.797 51.095 1.00 0.00 ATOM 71 C THR 10 24.572 29.709 52.120 1.00 0.00 ATOM 72 N ASP 11 25.010 29.168 53.239 1.00 0.00 ATOM 73 CA ASP 11 26.331 28.550 53.385 1.00 0.00 ATOM 74 CB ASP 11 26.721 28.656 54.849 1.00 0.00 ATOM 75 CG ASP 11 25.839 27.868 55.826 1.00 0.00 ATOM 76 OD1 ASP 11 24.811 27.294 55.407 1.00 0.00 ATOM 77 OD2 ASP 11 26.120 28.061 57.019 1.00 0.00 ATOM 78 O ASP 11 27.489 26.512 52.823 1.00 0.00 ATOM 79 C ASP 11 26.393 27.093 52.899 1.00 0.00 ATOM 80 N GLY 12 25.240 26.522 52.545 1.00 0.00 ATOM 81 CA GLY 12 25.110 25.168 51.982 1.00 0.00 ATOM 82 O GLY 12 25.208 26.115 49.782 1.00 0.00 ATOM 83 C GLY 12 25.494 25.165 50.519 1.00 0.00 ATOM 84 N TRP 13 26.147 24.084 50.124 1.00 0.00 ATOM 85 CA TRP 13 26.481 23.853 48.705 1.00 0.00 ATOM 86 CB TRP 13 27.978 23.954 48.490 1.00 0.00 ATOM 87 CG TRP 13 28.545 25.292 48.916 1.00 0.00 ATOM 88 CD1 TRP 13 28.976 25.575 50.145 1.00 0.00 ATOM 89 CD2 TRP 13 28.727 26.425 48.122 1.00 0.00 ATOM 90 CE2 TRP 13 29.281 27.363 48.972 1.00 0.00 ATOM 91 CE3 TRP 13 28.494 26.737 46.788 1.00 0.00 ATOM 92 NE1 TRP 13 29.434 26.820 50.179 1.00 0.00 ATOM 93 CZ2 TRP 13 29.603 28.610 48.497 1.00 0.00 ATOM 94 CZ3 TRP 13 28.822 27.993 46.314 1.00 0.00 ATOM 95 CH2 TRP 13 29.375 28.931 47.164 1.00 0.00 ATOM 96 O TRP 13 26.122 21.506 49.033 1.00 0.00 ATOM 97 C TRP 13 26.025 22.463 48.268 1.00 0.00 ATOM 98 N ILE 14 25.539 22.396 47.041 1.00 0.00 ATOM 99 CA ILE 14 25.285 21.106 46.382 1.00 0.00 ATOM 100 CB ILE 14 23.752 20.672 46.487 1.00 0.00 ATOM 101 CG1 ILE 14 22.897 21.726 45.786 1.00 0.00 ATOM 102 CG2 ILE 14 23.317 20.466 47.929 1.00 0.00 ATOM 103 CD1 ILE 14 21.449 21.292 45.625 1.00 0.00 ATOM 104 O ILE 14 25.677 21.899 44.157 1.00 0.00 ATOM 105 C ILE 14 25.980 21.085 45.019 1.00 0.00 ATOM 106 N PRO 15 26.932 20.164 44.866 1.00 0.00 ATOM 107 CA PRO 15 27.588 19.966 43.569 1.00 0.00 ATOM 108 CB PRO 15 28.920 19.290 43.949 1.00 0.00 ATOM 109 CG PRO 15 28.619 18.580 45.204 1.00 0.00 ATOM 110 CD PRO 15 27.595 19.402 45.939 1.00 0.00 ATOM 111 O PRO 15 26.177 18.062 43.104 1.00 0.00 ATOM 112 C PRO 15 26.693 19.102 42.712 1.00 0.00 ATOM 113 N VAL 16 26.521 19.580 41.503 1.00 0.00 ATOM 114 CA VAL 16 25.691 18.846 40.553 1.00 0.00 ATOM 115 CB VAL 16 24.262 19.504 40.456 1.00 0.00 ATOM 116 CG1 VAL 16 23.614 19.621 41.825 1.00 0.00 ATOM 117 CG2 VAL 16 24.420 20.876 39.824 1.00 0.00 ATOM 118 O VAL 16 27.067 19.595 38.763 1.00 0.00 ATOM 119 C VAL 16 26.524 18.628 39.296 1.00 0.00 ATOM 120 N PRO 17 26.507 17.397 38.800 1.00 0.00 ATOM 121 CA PRO 17 27.198 17.112 37.541 1.00 0.00 ATOM 122 CB PRO 17 26.957 15.621 37.364 1.00 0.00 ATOM 123 CG PRO 17 26.719 15.061 38.761 1.00 0.00 ATOM 124 CD PRO 17 25.938 16.186 39.420 1.00 0.00 ATOM 125 O PRO 17 25.337 18.285 36.576 1.00 0.00 ATOM 126 C PRO 17 26.523 17.957 36.443 1.00 0.00 ATOM 127 N PHE 18 27.322 18.425 35.497 1.00 0.00 ATOM 128 CA PHE 18 26.852 19.368 34.446 1.00 0.00 ATOM 129 CB PHE 18 27.966 19.690 33.444 1.00 0.00 ATOM 130 CG PHE 18 28.640 21.049 33.648 1.00 0.00 ATOM 131 CD1 PHE 18 29.154 21.438 34.869 1.00 0.00 ATOM 132 CD2 PHE 18 28.745 21.939 32.588 1.00 0.00 ATOM 133 CE1 PHE 18 29.740 22.680 35.017 1.00 0.00 ATOM 134 CE2 PHE 18 29.235 23.221 32.773 1.00 0.00 ATOM 135 CZ PHE 18 29.741 23.571 33.987 1.00 0.00 ATOM 136 O PHE 18 24.679 19.487 33.396 1.00 0.00 ATOM 137 C PHE 18 25.681 18.778 33.652 1.00 0.00 ATOM 138 N SER 19 25.805 17.531 33.204 1.00 0.00 ATOM 139 CA SER 19 24.713 16.940 32.440 1.00 0.00 ATOM 140 CB SER 19 25.331 15.803 31.584 1.00 0.00 ATOM 141 OG SER 19 25.729 14.705 32.408 1.00 0.00 ATOM 142 O SER 19 22.419 16.399 32.646 1.00 0.00 ATOM 143 C SER 19 23.461 16.632 33.258 1.00 0.00 ATOM 144 N LYS 20 23.551 16.595 34.582 1.00 0.00 ATOM 145 CA LYS 20 22.392 16.314 35.429 1.00 0.00 ATOM 146 CB LYS 20 22.748 15.603 36.676 1.00 0.00 ATOM 147 CG LYS 20 23.072 14.138 36.425 1.00 0.00 ATOM 148 CD LYS 20 23.806 13.521 37.617 1.00 0.00 ATOM 149 CE LYS 20 22.850 13.040 38.663 1.00 0.00 ATOM 150 NZ LYS 20 21.989 11.944 38.143 1.00 0.00 ATOM 151 O LYS 20 20.529 17.628 36.230 1.00 0.00 ATOM 152 C LYS 20 21.549 17.608 35.557 1.00 0.00 ATOM 153 N VAL 21 21.885 18.599 34.723 1.00 0.00 ATOM 154 CA VAL 21 21.129 19.859 34.618 1.00 0.00 ATOM 155 CB VAL 21 22.014 21.088 34.867 1.00 0.00 ATOM 156 CG1 VAL 21 21.290 22.441 34.779 1.00 0.00 ATOM 157 CG2 VAL 21 22.534 20.884 36.261 1.00 0.00 ATOM 158 O VAL 21 21.285 20.365 32.313 1.00 0.00 ATOM 159 C VAL 21 20.534 19.998 33.221 1.00 0.00 ATOM 160 N MET 22 19.225 20.211 33.241 1.00 0.00 ATOM 161 CA MET 22 18.464 20.499 32.016 1.00 0.00 ATOM 162 CB MET 22 16.976 20.215 32.214 1.00 0.00 ATOM 163 CG MET 22 16.711 18.739 32.542 1.00 0.00 ATOM 164 SD MET 22 17.118 17.626 31.143 1.00 0.00 ATOM 165 CE MET 22 16.980 16.068 31.993 1.00 0.00 ATOM 166 O MET 22 19.171 22.309 30.561 1.00 0.00 ATOM 167 C MET 22 18.646 21.981 31.622 1.00 0.00 ATOM 168 N TYR 23 18.319 22.840 32.584 1.00 0.00 ATOM 169 CA TYR 23 18.418 24.297 32.415 1.00 0.00 ATOM 170 CB TYR 23 17.272 24.845 31.551 1.00 0.00 ATOM 171 CG TYR 23 15.908 24.689 32.213 1.00 0.00 ATOM 172 CD1 TYR 23 15.411 25.711 33.009 1.00 0.00 ATOM 173 CD2 TYR 23 15.174 23.523 32.018 1.00 0.00 ATOM 174 CE1 TYR 23 14.173 25.584 33.602 1.00 0.00 ATOM 175 CE2 TYR 23 13.931 23.390 32.601 1.00 0.00 ATOM 176 CZ TYR 23 13.449 24.430 33.387 1.00 0.00 ATOM 177 OH TYR 23 12.272 24.314 34.015 1.00 0.00 ATOM 178 O TYR 23 18.279 24.368 34.822 1.00 0.00 ATOM 179 C TYR 23 18.438 25.005 33.779 1.00 0.00 ATOM 180 N LEU 24 18.837 26.268 33.725 1.00 0.00 ATOM 181 CA LEU 24 18.746 27.188 34.869 1.00 0.00 ATOM 182 CB LEU 24 20.130 27.798 35.159 1.00 0.00 ATOM 183 CG LEU 24 20.083 28.899 36.236 1.00 0.00 ATOM 184 CD1 LEU 24 19.584 28.315 37.553 1.00 0.00 ATOM 185 CD2 LEU 24 21.464 29.529 36.416 1.00 0.00 ATOM 186 O LEU 24 17.870 28.964 33.498 1.00 0.00 ATOM 187 C LEU 24 17.811 28.360 34.574 1.00 0.00 ATOM 188 N GLU 25 16.903 28.628 35.480 1.00 0.00 ATOM 189 CA GLU 25 15.987 29.763 35.305 1.00 0.00 ATOM 190 CB GLU 25 14.545 29.289 35.157 1.00 0.00 ATOM 191 CG GLU 25 13.970 28.575 36.400 1.00 0.00 ATOM 192 CD GLU 25 12.540 28.061 36.196 1.00 0.00 ATOM 193 OE1 GLU 25 12.009 28.186 35.079 1.00 0.00 ATOM 194 OE2 GLU 25 11.964 27.567 37.194 1.00 0.00 ATOM 195 O GLU 25 16.427 30.296 37.620 1.00 0.00 ATOM 196 C GLU 25 16.079 30.711 36.514 1.00 0.00 ATOM 197 N ALA 26 15.817 31.983 36.248 1.00 0.00 ATOM 198 CA ALA 26 15.665 32.951 37.337 1.00 0.00 ATOM 199 CB ALA 26 15.901 34.377 36.841 1.00 0.00 ATOM 200 O ALA 26 13.262 32.741 37.245 1.00 0.00 ATOM 201 C ALA 26 14.270 32.840 37.944 1.00 0.00 ATOM 202 N LYS 27 14.242 32.930 39.262 1.00 0.00 ATOM 203 CA LYS 27 12.986 33.032 40.002 1.00 0.00 ATOM 204 CB LYS 27 12.082 31.805 40.043 1.00 0.00 ATOM 205 CG LYS 27 10.947 32.071 39.041 1.00 0.00 ATOM 206 CD LYS 27 10.253 33.422 39.307 1.00 0.00 ATOM 207 CE LYS 27 9.032 33.681 38.444 1.00 0.00 ATOM 208 NZ LYS 27 8.120 32.537 38.413 1.00 0.00 ATOM 209 O LYS 27 14.070 33.582 42.074 1.00 0.00 ATOM 210 C LYS 27 13.212 33.885 41.242 1.00 0.00 ATOM 211 N ASP 28 12.389 34.901 41.316 1.00 0.00 ATOM 212 CA ASP 28 12.487 35.780 42.478 1.00 0.00 ATOM 213 CB ASP 28 11.822 35.155 43.709 1.00 0.00 ATOM 214 CG ASP 28 10.335 34.871 43.480 1.00 0.00 ATOM 215 OD1 ASP 28 9.634 35.648 42.813 1.00 0.00 ATOM 216 OD2 ASP 28 9.921 33.744 43.824 1.00 0.00 ATOM 217 O ASP 28 14.401 36.036 43.889 1.00 0.00 ATOM 218 C ASP 28 13.929 36.163 42.754 1.00 0.00 ATOM 219 N LYS 29 14.689 36.487 41.671 1.00 0.00 ATOM 220 CA LYS 29 16.079 36.906 41.758 1.00 0.00 ATOM 221 CB LYS 29 16.191 38.248 42.490 1.00 0.00 ATOM 222 CG LYS 29 15.208 39.298 41.967 1.00 0.00 ATOM 223 CD LYS 29 15.341 40.597 42.758 1.00 0.00 ATOM 224 CE LYS 29 16.703 41.273 42.534 1.00 0.00 ATOM 225 NZ LYS 29 16.780 42.582 43.160 1.00 0.00 ATOM 226 O LYS 29 18.270 36.070 42.322 1.00 0.00 ATOM 227 C LYS 29 17.055 35.862 42.327 1.00 0.00 ATOM 228 N LYS 30 16.536 34.744 42.839 1.00 0.00 ATOM 229 CA LYS 30 17.312 33.517 43.062 1.00 0.00 ATOM 230 CB LYS 30 16.744 32.782 44.279 1.00 0.00 ATOM 231 CG LYS 30 16.858 33.631 45.535 1.00 0.00 ATOM 232 CD LYS 30 16.044 33.035 46.675 1.00 0.00 ATOM 233 CE LYS 30 16.366 33.722 47.988 1.00 0.00 ATOM 234 NZ LYS 30 17.687 33.256 48.412 1.00 0.00 ATOM 235 O LYS 30 16.481 33.135 40.853 1.00 0.00 ATOM 236 C LYS 30 17.111 32.675 41.803 1.00 0.00 ATOM 237 N THR 31 17.907 31.626 41.649 1.00 0.00 ATOM 238 CA THR 31 17.780 30.783 40.460 1.00 0.00 ATOM 239 CB THR 31 19.073 30.723 39.629 1.00 0.00 ATOM 240 CG2 THR 31 19.614 32.106 39.275 1.00 0.00 ATOM 241 OG1 THR 31 20.067 29.983 40.325 1.00 0.00 ATOM 242 O THR 31 17.912 28.788 41.788 1.00 0.00 ATOM 243 C THR 31 17.382 29.354 40.827 1.00 0.00 ATOM 244 N TYR 32 16.612 28.747 39.943 1.00 0.00 ATOM 245 CA TYR 32 16.239 27.344 40.092 1.00 0.00 ATOM 246 CB TYR 32 14.717 27.180 40.110 1.00 0.00 ATOM 247 CG TYR 32 13.960 27.667 41.361 1.00 0.00 ATOM 248 CD1 TYR 32 13.811 29.030 41.633 1.00 0.00 ATOM 249 CD2 TYR 32 13.228 26.772 42.126 1.00 0.00 ATOM 250 CE1 TYR 32 12.984 29.476 42.655 1.00 0.00 ATOM 251 CE2 TYR 32 12.381 27.208 43.139 1.00 0.00 ATOM 252 CZ TYR 32 12.263 28.569 43.405 1.00 0.00 ATOM 253 OH TYR 32 11.455 28.998 44.409 1.00 0.00 ATOM 254 O TYR 32 16.852 26.873 37.778 1.00 0.00 ATOM 255 C TYR 32 16.915 26.534 38.965 1.00 0.00 ATOM 256 N VAL 33 17.702 25.564 39.399 1.00 0.00 ATOM 257 CA VAL 33 18.283 24.576 38.479 1.00 0.00 ATOM 258 CB VAL 33 19.623 24.043 38.986 1.00 0.00 ATOM 259 CG1 VAL 33 20.194 22.948 38.086 1.00 0.00 ATOM 260 CG2 VAL 33 20.614 25.191 38.972 1.00 0.00 ATOM 261 O VAL 33 16.808 22.891 39.341 1.00 0.00 ATOM 262 C VAL 33 17.251 23.463 38.342 1.00 0.00 ATOM 263 N ASN 34 16.939 23.185 37.092 1.00 0.00 ATOM 264 CA ASN 34 16.033 22.094 36.737 1.00 0.00 ATOM 265 CB ASN 34 15.146 22.484 35.564 1.00 0.00 ATOM 266 CG ASN 34 14.180 21.354 35.211 1.00 0.00 ATOM 267 ND2 ASN 34 12.959 21.700 34.958 1.00 0.00 ATOM 268 OD1 ASN 34 14.487 20.178 35.177 1.00 0.00 ATOM 269 O ASN 34 17.541 20.910 35.294 1.00 0.00 ATOM 270 C ASN 34 16.884 20.894 36.334 1.00 0.00 ATOM 271 N ALA 35 16.929 19.917 37.229 1.00 0.00 ATOM 272 CA ALA 35 17.641 18.656 36.973 1.00 0.00 ATOM 273 CB ALA 35 18.250 18.168 38.298 1.00 0.00 ATOM 274 O ALA 35 15.494 17.894 36.185 1.00 0.00 ATOM 275 C ALA 35 16.678 17.621 36.382 1.00 0.00 ATOM 276 N GLU 36 17.187 16.411 36.124 1.00 0.00 ATOM 277 CA GLU 36 16.382 15.294 35.578 1.00 0.00 ATOM 278 CB GLU 36 17.109 13.953 35.759 1.00 0.00 ATOM 279 CG GLU 36 16.427 12.738 35.122 1.00 0.00 ATOM 280 CD GLU 36 17.275 11.462 35.236 1.00 0.00 ATOM 281 OE1 GLU 36 18.353 11.491 35.852 1.00 0.00 ATOM 282 OE2 GLU 36 16.829 10.452 34.650 1.00 0.00 ATOM 283 O GLU 36 13.988 15.393 35.709 1.00 0.00 ATOM 284 C GLU 36 15.046 15.200 36.308 1.00 0.00 ATOM 285 N GLU 37 15.098 14.902 37.602 1.00 0.00 ATOM 286 CA GLU 37 13.872 14.787 38.412 1.00 0.00 ATOM 287 CB GLU 37 13.836 13.295 38.736 1.00 0.00 ATOM 288 CG GLU 37 13.577 12.382 37.541 1.00 0.00 ATOM 289 CD GLU 37 13.550 10.897 37.929 1.00 0.00 ATOM 290 OE1 GLU 37 13.782 10.551 39.107 1.00 0.00 ATOM 291 OE2 GLU 37 13.380 10.099 36.988 1.00 0.00 ATOM 292 O GLU 37 12.992 15.476 40.576 1.00 0.00 ATOM 293 C GLU 37 13.849 15.610 39.708 1.00 0.00 ATOM 294 N LEU 38 14.674 16.645 39.765 1.00 0.00 ATOM 295 CA LEU 38 14.783 17.487 40.967 1.00 0.00 ATOM 296 CB LEU 38 15.958 17.009 41.834 1.00 0.00 ATOM 297 CG LEU 38 15.776 15.634 42.456 1.00 0.00 ATOM 298 CD1 LEU 38 17.108 15.207 43.058 1.00 0.00 ATOM 299 CD2 LEU 38 14.731 15.687 43.574 1.00 0.00 ATOM 300 O LEU 38 15.796 19.198 39.663 1.00 0.00 ATOM 301 C LEU 38 15.033 18.932 40.591 1.00 0.00 ATOM 302 N THR 39 14.605 19.819 41.475 1.00 0.00 ATOM 303 CA THR 39 14.851 21.257 41.287 1.00 0.00 ATOM 304 CB THR 39 13.545 22.002 40.974 1.00 0.00 ATOM 305 CG2 THR 39 12.502 21.874 42.086 1.00 0.00 ATOM 306 OG1 THR 39 13.863 23.366 40.755 1.00 0.00 ATOM 307 O THR 39 15.194 21.572 43.641 1.00 0.00 ATOM 308 C THR 39 15.591 21.812 42.499 1.00 0.00 ATOM 309 N GLY 40 16.665 22.555 42.251 1.00 0.00 ATOM 310 CA GLY 40 17.456 23.145 43.341 1.00 0.00 ATOM 311 O GLY 40 17.956 25.236 42.259 1.00 0.00 ATOM 312 C GLY 40 17.509 24.676 43.262 1.00 0.00 ATOM 313 N THR 41 17.052 25.344 44.316 1.00 0.00 ATOM 314 CA THR 41 17.058 26.802 44.349 1.00 0.00 ATOM 315 CB THR 41 15.893 27.249 45.221 1.00 0.00 ATOM 316 CG2 THR 41 15.675 28.763 45.156 1.00 0.00 ATOM 317 OG1 THR 41 14.712 26.516 44.861 1.00 0.00 ATOM 318 O THR 41 18.781 26.847 46.024 1.00 0.00 ATOM 319 C THR 41 18.400 27.260 44.928 1.00 0.00 ATOM 320 N HIS 42 19.083 28.152 44.217 1.00 0.00 ATOM 321 CA HIS 42 20.371 28.658 44.677 1.00 0.00 ATOM 322 CB HIS 42 21.426 27.733 44.064 1.00 0.00 ATOM 323 CG HIS 42 21.254 26.294 44.560 1.00 0.00 ATOM 324 CD2 HIS 42 20.680 25.282 43.923 1.00 0.00 ATOM 325 ND1 HIS 42 21.710 25.825 45.713 1.00 0.00 ATOM 326 CE1 HIS 42 21.440 24.524 45.782 1.00 0.00 ATOM 327 NE2 HIS 42 20.838 24.181 44.652 1.00 0.00 ATOM 328 O HIS 42 20.034 30.692 43.396 1.00 0.00 ATOM 329 C HIS 42 20.680 30.103 44.259 1.00 0.00 ATOM 330 N LYS 43 21.574 30.729 45.017 1.00 0.00 ATOM 331 CA LYS 43 22.023 32.100 44.706 1.00 0.00 ATOM 332 CB LYS 43 22.312 32.820 46.062 1.00 0.00 ATOM 333 CG LYS 43 22.511 34.312 45.946 1.00 0.00 ATOM 334 CD LYS 43 22.900 34.912 47.341 1.00 0.00 ATOM 335 CE LYS 43 21.663 35.330 48.087 1.00 0.00 ATOM 336 NZ LYS 43 21.984 35.703 49.493 1.00 0.00 ATOM 337 O LYS 43 24.174 31.486 43.852 1.00 0.00 ATOM 338 C LYS 43 23.086 32.016 43.624 1.00 0.00 ATOM 339 N TYR 44 22.773 32.539 42.443 1.00 0.00 ATOM 340 CA TYR 44 23.718 32.517 41.332 1.00 0.00 ATOM 341 CB TYR 44 23.552 31.127 40.709 1.00 0.00 ATOM 342 CG TYR 44 24.819 30.696 39.976 1.00 0.00 ATOM 343 CD1 TYR 44 25.833 30.075 40.689 1.00 0.00 ATOM 344 CD2 TYR 44 24.905 30.781 38.608 1.00 0.00 ATOM 345 CE1 TYR 44 26.918 29.540 40.016 1.00 0.00 ATOM 346 CE2 TYR 44 25.997 30.251 37.956 1.00 0.00 ATOM 347 CZ TYR 44 27.000 29.617 38.647 1.00 0.00 ATOM 348 OH TYR 44 27.961 28.936 37.989 1.00 0.00 ATOM 349 O TYR 44 22.426 34.373 40.503 1.00 0.00 ATOM 350 C TYR 44 23.340 33.580 40.307 1.00 0.00 ATOM 351 N SER 45 24.113 33.590 39.233 1.00 0.00 ATOM 352 CA SER 45 23.809 34.386 38.044 1.00 0.00 ATOM 353 CB SER 45 24.665 35.650 37.984 1.00 0.00 ATOM 354 OG SER 45 24.330 36.499 39.084 1.00 0.00 ATOM 355 O SER 45 24.981 32.827 36.596 1.00 0.00 ATOM 356 C SER 45 24.013 33.550 36.783 1.00 0.00 ATOM 357 N LEU 46 23.114 33.838 35.868 1.00 0.00 ATOM 358 CA LEU 46 22.955 33.141 34.583 1.00 0.00 ATOM 359 CB LEU 46 21.651 33.729 33.999 1.00 0.00 ATOM 360 CG LEU 46 20.589 34.288 34.989 1.00 0.00 ATOM 361 CD1 LEU 46 19.337 34.795 34.279 1.00 0.00 ATOM 362 CD2 LEU 46 20.121 33.256 36.013 1.00 0.00 ATOM 363 O LEU 46 24.682 32.384 33.057 1.00 0.00 ATOM 364 C LEU 46 24.218 33.323 33.689 1.00 0.00 ATOM 365 N GLN 47 24.889 34.459 33.889 1.00 0.00 ATOM 366 CA GLN 47 26.145 34.797 33.190 1.00 0.00 ATOM 367 CB GLN 47 26.593 36.222 33.499 1.00 0.00 ATOM 368 CG GLN 47 25.661 37.265 32.891 1.00 0.00 ATOM 369 CD GLN 47 26.106 38.662 33.308 1.00 0.00 ATOM 370 OE1 GLN 47 26.892 38.956 34.195 1.00 0.00 ATOM 371 NE2 GLN 47 25.449 39.618 32.722 1.00 0.00 ATOM 372 O GLN 47 27.973 33.319 32.751 1.00 0.00 ATOM 373 C GLN 47 27.284 33.873 33.598 1.00 0.00 ATOM 374 N GLU 48 27.486 33.702 34.906 1.00 0.00 ATOM 375 CA GLU 48 28.547 32.850 35.426 1.00 0.00 ATOM 376 CB GLU 48 28.533 32.861 36.942 1.00 0.00 ATOM 377 CG GLU 48 28.889 34.233 37.548 1.00 0.00 ATOM 378 CD GLU 48 28.818 34.179 39.077 1.00 0.00 ATOM 379 OE1 GLU 48 28.260 33.170 39.569 1.00 0.00 ATOM 380 OE2 GLU 48 29.153 35.192 39.741 1.00 0.00 ATOM 381 O GLU 48 29.376 30.780 34.488 1.00 0.00 ATOM 382 C GLU 48 28.417 31.396 34.944 1.00 0.00 ATOM 383 N PHE 49 27.178 30.905 34.936 1.00 0.00 ATOM 384 CA PHE 49 26.862 29.530 34.505 1.00 0.00 ATOM 385 CB PHE 49 25.371 29.256 34.750 1.00 0.00 ATOM 386 CG PHE 49 25.085 27.761 34.865 1.00 0.00 ATOM 387 CD1 PHE 49 25.277 27.082 36.070 1.00 0.00 ATOM 388 CD2 PHE 49 24.524 27.117 33.783 1.00 0.00 ATOM 389 CE1 PHE 49 24.900 25.746 36.150 1.00 0.00 ATOM 390 CE2 PHE 49 24.154 25.793 33.906 1.00 0.00 ATOM 391 CZ PHE 49 24.348 25.098 35.065 1.00 0.00 ATOM 392 O PHE 49 27.898 28.353 32.699 1.00 0.00 ATOM 393 C PHE 49 27.200 29.306 33.021 1.00 0.00 ATOM 394 N GLU 50 26.819 30.266 32.186 1.00 0.00 ATOM 395 CA GLU 50 27.137 30.234 30.745 1.00 0.00 ATOM 396 CB GLU 50 26.481 31.437 30.086 1.00 0.00 ATOM 397 CG GLU 50 26.691 31.469 28.566 1.00 0.00 ATOM 398 CD GLU 50 25.917 32.579 27.862 1.00 0.00 ATOM 399 OE1 GLU 50 25.208 33.376 28.525 1.00 0.00 ATOM 400 OE2 GLU 50 25.960 32.606 26.624 1.00 0.00 ATOM 401 O GLU 50 29.128 29.414 29.667 1.00 0.00 ATOM 402 C GLU 50 28.655 30.118 30.571 1.00 0.00 ATOM 403 N TYR 51 29.413 30.874 31.411 1.00 0.00 ATOM 404 CA TYR 51 30.872 30.945 31.263 1.00 0.00 ATOM 405 CB TYR 51 31.436 32.119 32.063 1.00 0.00 ATOM 406 CG TYR 51 30.960 33.472 31.536 1.00 0.00 ATOM 407 CD1 TYR 51 30.358 33.623 30.289 1.00 0.00 ATOM 408 CD2 TYR 51 31.133 34.578 32.358 1.00 0.00 ATOM 409 CE1 TYR 51 29.929 34.859 29.860 1.00 0.00 ATOM 410 CE2 TYR 51 30.704 35.814 31.928 1.00 0.00 ATOM 411 CZ TYR 51 30.121 35.956 30.686 1.00 0.00 ATOM 412 OH TYR 51 30.061 37.217 30.216 1.00 0.00 ATOM 413 O TYR 51 32.774 29.484 31.407 1.00 0.00 ATOM 414 C TYR 51 31.607 29.684 31.701 1.00 0.00 ATOM 415 N LEU 52 30.893 28.857 32.441 1.00 0.00 ATOM 416 CA LEU 52 31.477 27.641 33.024 1.00 0.00 ATOM 417 CB LEU 52 30.383 26.993 33.853 1.00 0.00 ATOM 418 CG LEU 52 30.126 27.614 35.205 1.00 0.00 ATOM 419 CD1 LEU 52 28.967 26.867 35.874 1.00 0.00 ATOM 420 CD2 LEU 52 31.412 27.486 36.027 1.00 0.00 ATOM 421 O LEU 52 33.062 26.148 32.024 1.00 0.00 ATOM 422 C LEU 52 31.943 26.647 31.960 1.00 0.00 ATOM 423 N LEU 53 31.094 26.370 31.014 1.00 0.00 ATOM 424 CA LEU 53 31.408 25.411 29.959 1.00 0.00 ATOM 425 CB LEU 53 30.139 25.110 29.190 1.00 0.00 ATOM 426 CG LEU 53 29.539 23.866 29.796 1.00 0.00 ATOM 427 CD1 LEU 53 28.244 23.628 29.121 1.00 0.00 ATOM 428 CD2 LEU 53 30.316 22.574 29.612 1.00 0.00 ATOM 429 O LEU 53 32.218 27.069 28.483 1.00 0.00 ATOM 430 C LEU 53 32.374 25.937 28.921 1.00 0.00 ATOM 431 N PRO 54 33.278 25.094 28.429 1.00 0.00 ATOM 432 CA PRO 54 34.121 25.488 27.300 1.00 0.00 ATOM 433 CB PRO 54 35.196 24.426 27.309 1.00 0.00 ATOM 434 CG PRO 54 34.444 23.144 27.640 1.00 0.00 ATOM 435 CD PRO 54 33.427 23.640 28.678 1.00 0.00 ATOM 436 O PRO 54 32.238 24.690 26.015 1.00 0.00 ATOM 437 C PRO 54 33.232 25.430 26.051 1.00 0.00 ATOM 438 N LYS 55 33.607 26.224 25.057 1.00 0.00 ATOM 439 CA LYS 55 32.901 26.250 23.755 1.00 0.00 ATOM 440 CB LYS 55 33.200 24.939 23.035 1.00 0.00 ATOM 441 CG LYS 55 34.640 24.873 22.565 1.00 0.00 ATOM 442 CD LYS 55 34.899 23.476 22.061 1.00 0.00 ATOM 443 CE LYS 55 34.031 23.060 20.874 1.00 0.00 ATOM 444 NZ LYS 55 34.400 21.725 20.428 1.00 0.00 ATOM 445 O LYS 55 30.785 26.564 22.763 1.00 0.00 ATOM 446 C LYS 55 31.444 26.645 23.825 1.00 0.00 ATOM 447 N ASP 56 30.868 26.957 24.954 1.00 0.00 ATOM 448 CA ASP 56 29.461 27.346 25.089 1.00 0.00 ATOM 449 CB ASP 56 29.018 28.240 23.902 1.00 0.00 ATOM 450 CG ASP 56 29.543 29.657 23.722 1.00 0.00 ATOM 451 OD1 ASP 56 29.129 30.493 24.528 1.00 0.00 ATOM 452 OD2 ASP 56 30.246 29.896 22.710 1.00 0.00 ATOM 453 O ASP 56 27.947 25.919 23.918 1.00 0.00 ATOM 454 C ASP 56 28.481 26.192 24.982 1.00 0.00 ATOM 455 N SER 57 28.170 25.459 26.130 1.00 0.00 ATOM 456 CA SER 57 27.181 24.374 26.167 1.00 0.00 ATOM 457 CB SER 57 27.060 22.858 26.461 1.00 0.00 ATOM 458 OG SER 57 28.000 22.087 25.738 1.00 0.00 ATOM 459 O SER 57 24.873 24.922 26.552 1.00 0.00 ATOM 460 C SER 57 26.034 25.045 26.940 1.00 0.00 ATOM 461 N PHE 58 26.379 25.864 27.921 1.00 0.00 ATOM 462 CA PHE 58 25.365 26.619 28.684 1.00 0.00 ATOM 463 CB PHE 58 25.706 26.613 30.177 1.00 0.00 ATOM 464 CG PHE 58 25.376 25.244 30.819 1.00 0.00 ATOM 465 CD1 PHE 58 26.343 24.401 31.299 1.00 0.00 ATOM 466 CD2 PHE 58 24.070 24.810 30.943 1.00 0.00 ATOM 467 CE1 PHE 58 26.000 23.161 31.821 1.00 0.00 ATOM 468 CE2 PHE 58 23.746 23.592 31.541 1.00 0.00 ATOM 469 CZ PHE 58 24.714 22.743 31.988 1.00 0.00 ATOM 470 O PHE 58 26.098 28.772 27.933 1.00 0.00 ATOM 471 C PHE 58 25.161 27.997 28.039 1.00 0.00 ATOM 472 N ILE 59 24.014 28.118 27.373 1.00 0.00 ATOM 473 CA ILE 59 23.693 29.268 26.499 1.00 0.00 ATOM 474 CB ILE 59 23.354 28.791 25.064 1.00 0.00 ATOM 475 CG1 ILE 59 24.473 27.944 24.458 1.00 0.00 ATOM 476 CG2 ILE 59 23.046 29.971 24.112 1.00 0.00 ATOM 477 CD1 ILE 59 25.810 28.684 24.306 1.00 0.00 ATOM 478 O ILE 59 21.539 29.562 27.553 1.00 0.00 ATOM 479 C ILE 59 22.559 30.093 27.100 1.00 0.00 ATOM 480 N ARG 60 22.739 31.402 26.994 1.00 0.00 ATOM 481 CA ARG 60 21.702 32.379 27.379 1.00 0.00 ATOM 482 CB ARG 60 22.332 33.739 27.692 1.00 0.00 ATOM 483 CG ARG 60 21.294 34.701 28.252 1.00 0.00 ATOM 484 CD ARG 60 22.020 35.966 28.648 1.00 0.00 ATOM 485 NE ARG 60 21.052 36.936 29.168 1.00 0.00 ATOM 486 CZ ARG 60 21.411 38.091 29.701 1.00 0.00 ATOM 487 NH1 ARG 60 20.470 38.914 30.102 1.00 0.00 ATOM 488 NH2 ARG 60 22.684 38.426 29.892 1.00 0.00 ATOM 489 O ARG 60 20.758 33.386 25.391 1.00 0.00 ATOM 490 C ARG 60 20.678 32.498 26.241 1.00 0.00 ATOM 491 N CYS 61 19.629 31.689 26.326 1.00 0.00 ATOM 492 CA CYS 61 18.570 31.704 25.292 1.00 0.00 ATOM 493 CB CYS 61 17.891 30.337 25.258 1.00 0.00 ATOM 494 SG CYS 61 16.947 30.026 26.791 1.00 0.00 ATOM 495 O CYS 61 16.883 33.289 24.572 1.00 0.00 ATOM 496 C CYS 61 17.562 32.848 25.488 1.00 0.00 ATOM 497 N HIS 62 17.493 33.324 26.729 1.00 0.00 ATOM 498 CA HIS 62 16.523 34.339 27.165 1.00 0.00 ATOM 499 CB HIS 62 15.227 33.614 27.556 1.00 0.00 ATOM 500 CG HIS 62 14.049 34.564 27.758 1.00 0.00 ATOM 501 CD2 HIS 62 13.519 34.959 28.908 1.00 0.00 ATOM 502 ND1 HIS 62 13.424 35.185 26.762 1.00 0.00 ATOM 503 CE1 HIS 62 12.494 35.942 27.301 1.00 0.00 ATOM 504 NE2 HIS 62 12.569 35.827 28.611 1.00 0.00 ATOM 505 O HIS 62 17.984 34.469 29.078 1.00 0.00 ATOM 506 C HIS 62 17.122 35.013 28.389 1.00 0.00 ATOM 507 N ARG 63 16.692 36.251 28.627 1.00 0.00 ATOM 508 CA ARG 63 17.102 36.998 29.829 1.00 0.00 ATOM 509 CB ARG 63 16.352 38.331 29.906 1.00 0.00 ATOM 510 CG ARG 63 16.797 39.265 28.771 1.00 0.00 ATOM 511 CD ARG 63 15.978 40.553 28.784 1.00 0.00 ATOM 512 NE ARG 63 14.656 40.333 28.171 1.00 0.00 ATOM 513 CZ ARG 63 13.669 41.229 28.180 1.00 0.00 ATOM 514 NH1 ARG 63 13.775 42.401 28.782 1.00 0.00 ATOM 515 NH2 ARG 63 12.555 40.995 27.529 1.00 0.00 ATOM 516 O ARG 63 17.684 36.366 32.071 1.00 0.00 ATOM 517 C ARG 63 16.918 36.198 31.120 1.00 0.00 ATOM 518 N SER 64 15.885 35.306 31.169 1.00 0.00 ATOM 519 CA SER 64 15.587 34.511 32.364 1.00 0.00 ATOM 520 CB SER 64 14.077 34.507 32.628 1.00 0.00 ATOM 521 OG SER 64 13.558 35.832 32.694 1.00 0.00 ATOM 522 O SER 64 15.792 32.323 33.313 1.00 0.00 ATOM 523 C SER 64 16.020 33.039 32.335 1.00 0.00 ATOM 524 N PHE 65 16.647 32.599 31.240 1.00 0.00 ATOM 525 CA PHE 65 17.014 31.177 31.057 1.00 0.00 ATOM 526 CB PHE 65 16.017 30.480 30.124 1.00 0.00 ATOM 527 CG PHE 65 14.590 30.500 30.644 1.00 0.00 ATOM 528 CD1 PHE 65 13.734 31.529 30.279 1.00 0.00 ATOM 529 CD2 PHE 65 14.143 29.507 31.501 1.00 0.00 ATOM 530 CE1 PHE 65 12.442 31.569 30.770 1.00 0.00 ATOM 531 CE2 PHE 65 12.841 29.532 31.979 1.00 0.00 ATOM 532 CZ PHE 65 11.988 30.570 31.615 1.00 0.00 ATOM 533 O PHE 65 18.699 31.496 29.372 1.00 0.00 ATOM 534 C PHE 65 18.389 30.942 30.432 1.00 0.00 ATOM 535 N ILE 66 19.101 29.998 31.031 1.00 0.00 ATOM 536 CA ILE 66 20.338 29.435 30.457 1.00 0.00 ATOM 537 CB ILE 66 21.542 29.638 31.400 1.00 0.00 ATOM 538 CG1 ILE 66 21.698 31.102 31.821 1.00 0.00 ATOM 539 CG2 ILE 66 22.852 29.106 30.795 1.00 0.00 ATOM 540 CD1 ILE 66 21.983 32.100 30.699 1.00 0.00 ATOM 541 O ILE 66 19.448 27.302 31.078 1.00 0.00 ATOM 542 C ILE 66 20.045 27.958 30.220 1.00 0.00 ATOM 543 N VAL 67 20.276 27.545 28.985 1.00 0.00 ATOM 544 CA VAL 67 19.984 26.167 28.546 1.00 0.00 ATOM 545 CB VAL 67 19.260 26.126 27.198 1.00 0.00 ATOM 546 CG1 VAL 67 17.867 26.739 27.346 1.00 0.00 ATOM 547 CG2 VAL 67 20.033 26.872 26.115 1.00 0.00 ATOM 548 O VAL 67 22.330 25.917 28.051 1.00 0.00 ATOM 549 C VAL 67 21.287 25.376 28.428 1.00 0.00 ATOM 550 N ASN 68 21.162 24.081 28.698 1.00 0.00 ATOM 551 CA ASN 68 22.247 23.144 28.420 1.00 0.00 ATOM 552 CB ASN 68 22.272 21.971 29.391 1.00 0.00 ATOM 553 CG ASN 68 23.545 21.130 29.201 1.00 0.00 ATOM 554 ND2 ASN 68 23.942 20.461 30.255 1.00 0.00 ATOM 555 OD1 ASN 68 24.188 21.064 28.162 1.00 0.00 ATOM 556 O ASN 68 21.130 21.684 26.864 1.00 0.00 ATOM 557 C ASN 68 21.981 22.560 27.034 1.00 0.00 ATOM 558 N VAL 69 22.790 23.003 26.093 1.00 0.00 ATOM 559 CA VAL 69 22.669 22.580 24.682 1.00 0.00 ATOM 560 CB VAL 69 23.711 23.320 23.845 1.00 0.00 ATOM 561 CG1 VAL 69 23.798 22.859 22.384 1.00 0.00 ATOM 562 CG2 VAL 69 23.284 24.775 23.889 1.00 0.00 ATOM 563 O VAL 69 22.048 20.535 23.593 1.00 0.00 ATOM 564 C VAL 69 22.680 21.066 24.508 1.00 0.00 ATOM 565 N ASN 70 23.396 20.372 25.387 1.00 0.00 ATOM 566 CA ASN 70 23.476 18.911 25.318 1.00 0.00 ATOM 567 CB ASN 70 24.504 18.428 26.265 1.00 0.00 ATOM 568 CG ASN 70 25.893 18.700 25.729 1.00 0.00 ATOM 569 ND2 ASN 70 26.596 19.678 26.313 1.00 0.00 ATOM 570 OD1 ASN 70 26.324 18.036 24.780 1.00 0.00 ATOM 571 O ASN 70 22.045 16.988 25.335 1.00 0.00 ATOM 572 C ASN 70 22.184 18.172 25.643 1.00 0.00 ATOM 573 N HIS 71 21.257 18.858 26.305 1.00 0.00 ATOM 574 CA HIS 71 19.981 18.250 26.666 1.00 0.00 ATOM 575 CB HIS 71 19.922 18.225 28.201 1.00 0.00 ATOM 576 CG HIS 71 21.136 17.448 28.773 1.00 0.00 ATOM 577 CD2 HIS 71 21.842 17.761 29.851 1.00 0.00 ATOM 578 ND1 HIS 71 21.730 16.394 28.210 1.00 0.00 ATOM 579 CE1 HIS 71 22.792 16.047 28.914 1.00 0.00 ATOM 580 NE2 HIS 71 22.859 16.903 29.930 1.00 0.00 ATOM 581 O HIS 71 17.584 18.498 26.311 1.00 0.00 ATOM 582 C HIS 71 18.731 18.789 25.962 1.00 0.00 ATOM 583 N ILE 72 18.966 19.621 24.950 1.00 0.00 ATOM 584 CA ILE 72 17.888 20.077 24.069 1.00 0.00 ATOM 585 CB ILE 72 18.312 21.277 23.250 1.00 0.00 ATOM 586 CG1 ILE 72 18.890 22.283 24.263 1.00 0.00 ATOM 587 CG2 ILE 72 17.129 21.771 22.376 1.00 0.00 ATOM 588 CD1 ILE 72 17.788 23.011 25.033 1.00 0.00 ATOM 589 O ILE 72 18.330 18.461 22.377 1.00 0.00 ATOM 590 C ILE 72 17.501 18.925 23.150 1.00 0.00 ATOM 591 N LYS 73 16.199 18.748 23.090 1.00 0.00 ATOM 592 CA LYS 73 15.620 17.764 22.171 1.00 0.00 ATOM 593 CB LYS 73 14.394 17.093 22.805 1.00 0.00 ATOM 594 CG LYS 73 13.851 16.011 21.871 1.00 0.00 ATOM 595 CD LYS 73 12.715 15.275 22.568 1.00 0.00 ATOM 596 CE LYS 73 12.199 14.102 21.750 1.00 0.00 ATOM 597 NZ LYS 73 11.124 13.364 22.426 1.00 0.00 ATOM 598 O LYS 73 15.415 17.818 19.777 1.00 0.00 ATOM 599 C LYS 73 15.232 18.415 20.837 1.00 0.00 ATOM 600 N ALA 74 14.516 19.518 20.940 1.00 0.00 ATOM 601 CA ALA 74 14.000 20.259 19.768 1.00 0.00 ATOM 602 CB ALA 74 12.623 19.716 19.405 1.00 0.00 ATOM 603 O ALA 74 13.721 22.062 21.364 1.00 0.00 ATOM 604 C ALA 74 13.709 21.699 20.185 1.00 0.00 ATOM 605 N ILE 75 13.521 22.521 19.173 1.00 0.00 ATOM 606 CA ILE 75 13.101 23.911 19.372 1.00 0.00 ATOM 607 CB ILE 75 14.382 24.805 19.261 1.00 0.00 ATOM 608 CG1 ILE 75 14.060 26.270 19.534 1.00 0.00 ATOM 609 CG2 ILE 75 14.991 24.631 17.865 1.00 0.00 ATOM 610 CD1 ILE 75 15.300 27.147 19.654 1.00 0.00 ATOM 611 O ILE 75 11.928 23.869 17.267 1.00 0.00 ATOM 612 C ILE 75 11.928 24.250 18.441 1.00 0.00 ATOM 613 N TYR 76 10.940 24.922 19.056 1.00 0.00 ATOM 614 CA TYR 76 9.880 25.481 18.216 1.00 0.00 ATOM 615 CB TYR 76 8.582 25.472 18.956 1.00 0.00 ATOM 616 CG TYR 76 8.129 24.029 19.112 1.00 0.00 ATOM 617 CD1 TYR 76 7.752 23.271 17.994 1.00 0.00 ATOM 618 CD2 TYR 76 8.059 23.438 20.351 1.00 0.00 ATOM 619 CE1 TYR 76 7.326 21.961 18.113 1.00 0.00 ATOM 620 CE2 TYR 76 7.656 22.116 20.498 1.00 0.00 ATOM 621 CZ TYR 76 7.298 21.403 19.381 1.00 0.00 ATOM 622 OH TYR 76 6.915 20.121 19.582 1.00 0.00 ATOM 623 O TYR 76 10.002 27.772 18.750 1.00 0.00 ATOM 624 C TYR 76 10.461 26.905 18.019 1.00 0.00 ATOM 625 N PRO 77 11.511 27.135 17.180 1.00 0.00 ATOM 626 CA PRO 77 12.310 28.404 17.072 1.00 0.00 ATOM 627 CB PRO 77 13.089 28.274 15.770 1.00 0.00 ATOM 628 CG PRO 77 12.745 26.946 15.111 1.00 0.00 ATOM 629 CD PRO 77 11.633 26.303 15.927 1.00 0.00 ATOM 630 O PRO 77 10.273 29.366 16.646 1.00 0.00 ATOM 631 C PRO 77 11.434 29.607 16.778 1.00 0.00 ATOM 632 N ASP 78 11.773 30.860 16.974 1.00 0.00 ATOM 633 CA ASP 78 10.825 31.949 16.631 1.00 0.00 ATOM 634 CB ASP 78 11.426 33.310 16.958 1.00 0.00 ATOM 635 CG ASP 78 12.739 33.649 16.251 1.00 0.00 ATOM 636 OD1 ASP 78 13.485 32.750 15.789 1.00 0.00 ATOM 637 OD2 ASP 78 13.017 34.856 16.299 1.00 0.00 ATOM 638 O ASP 78 9.241 31.894 14.800 1.00 0.00 ATOM 639 C ASP 78 10.421 31.962 15.172 1.00 0.00 ATOM 640 N THR 79 11.371 32.075 14.253 1.00 0.00 ATOM 641 CA THR 79 11.054 32.086 12.830 1.00 0.00 ATOM 642 CB THR 79 12.304 32.437 12.042 1.00 0.00 ATOM 643 CG2 THR 79 12.713 33.862 12.388 1.00 0.00 ATOM 644 OG1 THR 79 13.368 31.526 12.332 1.00 0.00 ATOM 645 O THR 79 9.493 30.736 11.586 1.00 0.00 ATOM 646 C THR 79 10.444 30.769 12.383 1.00 0.00 ATOM 647 N HIS 80 10.949 29.731 12.892 1.00 0.00 ATOM 648 CA HIS 80 10.233 28.461 12.737 1.00 0.00 ATOM 649 CB HIS 80 11.422 27.549 12.239 1.00 0.00 ATOM 650 CG HIS 80 12.542 27.794 11.150 1.00 0.00 ATOM 651 CD2 HIS 80 13.532 28.711 11.052 1.00 0.00 ATOM 652 ND1 HIS 80 12.715 27.053 10.051 1.00 0.00 ATOM 653 CE1 HIS 80 13.719 27.513 9.303 1.00 0.00 ATOM 654 NE2 HIS 80 14.238 28.566 9.918 1.00 0.00 ATOM 655 O HIS 80 7.832 28.489 12.622 1.00 0.00 ATOM 656 C HIS 80 8.817 28.607 13.327 1.00 0.00 ATOM 657 N SER 81 8.850 29.069 14.616 1.00 0.00 ATOM 658 CA SER 81 7.654 29.541 15.311 1.00 0.00 ATOM 659 CB SER 81 6.302 28.698 14.945 1.00 0.00 ATOM 660 OG SER 81 6.123 27.671 15.901 1.00 0.00 ATOM 661 O SER 81 7.361 31.331 16.946 1.00 0.00 ATOM 662 C SER 81 7.302 30.120 16.742 1.00 0.00 ATOM 663 N THR 82 7.011 29.317 17.783 1.00 0.00 ATOM 664 CA THR 82 6.521 29.774 19.129 1.00 0.00 ATOM 665 CB THR 82 5.139 28.902 19.348 1.00 0.00 ATOM 666 CG2 THR 82 4.562 29.154 20.740 1.00 0.00 ATOM 667 OG1 THR 82 4.151 29.233 18.363 1.00 0.00 ATOM 668 O THR 82 7.388 30.604 21.235 1.00 0.00 ATOM 669 C THR 82 7.639 30.194 20.103 1.00 0.00 ATOM 670 N PHE 83 8.863 29.874 19.693 1.00 0.00 ATOM 671 CA PHE 83 10.100 30.036 20.469 1.00 0.00 ATOM 672 CB PHE 83 10.611 31.490 20.417 1.00 0.00 ATOM 673 CG PHE 83 9.583 32.598 20.584 1.00 0.00 ATOM 674 CD1 PHE 83 9.188 33.019 21.833 1.00 0.00 ATOM 675 CD2 PHE 83 9.095 33.224 19.464 1.00 0.00 ATOM 676 CE1 PHE 83 8.277 34.060 21.954 1.00 0.00 ATOM 677 CE2 PHE 83 8.206 34.267 19.583 1.00 0.00 ATOM 678 CZ PHE 83 7.782 34.703 20.830 1.00 0.00 ATOM 679 O PHE 83 10.465 29.837 22.888 1.00 0.00 ATOM 680 C PHE 83 10.079 29.330 21.832 1.00 0.00 ATOM 681 N LEU 84 9.758 28.041 21.720 1.00 0.00 ATOM 682 CA LEU 84 9.742 27.113 22.874 1.00 0.00 ATOM 683 CB LEU 84 8.391 26.390 22.985 1.00 0.00 ATOM 684 CG LEU 84 7.194 27.317 23.213 1.00 0.00 ATOM 685 CD1 LEU 84 5.921 26.463 23.234 1.00 0.00 ATOM 686 CD2 LEU 84 7.296 28.102 24.527 1.00 0.00 ATOM 687 O LEU 84 10.880 25.312 21.758 1.00 0.00 ATOM 688 C LEU 84 10.861 26.086 22.716 1.00 0.00 ATOM 689 N LEU 85 11.637 25.931 23.783 1.00 0.00 ATOM 690 CA LEU 85 12.735 24.952 23.818 1.00 0.00 ATOM 691 CB LEU 85 13.952 25.488 24.556 1.00 0.00 ATOM 692 CG LEU 85 14.586 26.709 23.932 1.00 0.00 ATOM 693 CD1 LEU 85 15.812 27.043 24.762 1.00 0.00 ATOM 694 CD2 LEU 85 15.021 26.438 22.509 1.00 0.00 ATOM 695 O LEU 85 11.813 23.823 25.711 1.00 0.00 ATOM 696 C LEU 85 12.271 23.724 24.578 1.00 0.00 ATOM 697 N SER 86 12.426 22.579 23.930 1.00 0.00 ATOM 698 CA SER 86 12.015 21.302 24.535 1.00 0.00 ATOM 699 CB SER 86 11.193 20.518 23.526 1.00 0.00 ATOM 700 OG SER 86 9.899 21.095 23.318 1.00 0.00 ATOM 701 O SER 86 14.124 20.252 24.099 1.00 0.00 ATOM 702 C SER 86 13.237 20.488 24.921 1.00 0.00 ATOM 703 N MET 87 13.183 19.945 26.132 1.00 0.00 ATOM 704 CA MET 87 14.307 19.183 26.702 1.00 0.00 ATOM 705 CB MET 87 14.539 19.599 28.160 1.00 0.00 ATOM 706 CG MET 87 14.926 21.059 28.307 1.00 0.00 ATOM 707 SD MET 87 16.581 21.431 27.639 1.00 0.00 ATOM 708 CE MET 87 16.601 23.136 28.176 1.00 0.00 ATOM 709 O MET 87 12.980 17.207 26.407 1.00 0.00 ATOM 710 C MET 87 14.087 17.674 26.676 1.00 0.00 ATOM 711 N ASP 88 15.159 16.913 26.877 1.00 0.00 ATOM 712 CA ASP 88 15.065 15.454 26.876 1.00 0.00 ATOM 713 CB ASP 88 16.452 14.841 27.046 1.00 0.00 ATOM 714 CG ASP 88 17.331 15.027 25.809 1.00 0.00 ATOM 715 OD1 ASP 88 16.773 15.323 24.732 1.00 0.00 ATOM 716 OD2 ASP 88 18.532 14.734 25.964 1.00 0.00 ATOM 717 O ASP 88 13.495 13.904 27.746 1.00 0.00 ATOM 718 C ASP 88 14.113 14.942 27.935 1.00 0.00 ATOM 719 N ASN 89 13.971 15.650 29.088 1.00 0.00 ATOM 720 CA ASN 89 13.073 15.218 30.134 1.00 0.00 ATOM 721 CB ASN 89 13.628 15.712 31.461 1.00 0.00 ATOM 722 CG ASN 89 13.493 17.231 31.644 1.00 0.00 ATOM 723 ND2 ASN 89 13.705 17.667 32.855 1.00 0.00 ATOM 724 OD1 ASN 89 13.182 17.997 30.738 1.00 0.00 ATOM 725 O ASN 89 10.862 15.649 30.973 1.00 0.00 ATOM 726 C ASN 89 11.638 15.722 30.005 1.00 0.00 ATOM 727 N GLY 90 11.261 16.252 28.824 1.00 0.00 ATOM 728 CA GLY 90 9.904 16.707 28.538 1.00 0.00 ATOM 729 O GLY 90 8.370 18.509 28.926 1.00 0.00 ATOM 730 C GLY 90 9.500 18.073 29.117 1.00 0.00 ATOM 731 N GLU 91 10.442 18.738 29.790 1.00 0.00 ATOM 732 CA GLU 91 10.273 20.139 30.201 1.00 0.00 ATOM 733 CB GLU 91 11.290 20.514 31.274 1.00 0.00 ATOM 734 CG GLU 91 11.008 19.840 32.615 1.00 0.00 ATOM 735 CD GLU 91 9.686 20.270 33.255 1.00 0.00 ATOM 736 OE1 GLU 91 9.009 21.164 32.693 1.00 0.00 ATOM 737 OE2 GLU 91 9.362 19.670 34.286 1.00 0.00 ATOM 738 O GLU 91 10.981 20.669 27.977 1.00 0.00 ATOM 739 C GLU 91 10.465 21.073 29.019 1.00 0.00 ATOM 740 N ARG 92 10.049 22.325 29.181 1.00 0.00 ATOM 741 CA ARG 92 10.186 23.309 28.114 1.00 0.00 ATOM 742 CB ARG 92 8.980 23.583 27.225 1.00 0.00 ATOM 743 CG ARG 92 8.534 22.347 26.460 1.00 0.00 ATOM 744 CD ARG 92 7.416 22.798 25.555 1.00 0.00 ATOM 745 NE ARG 92 6.832 21.604 24.932 1.00 0.00 ATOM 746 CZ ARG 92 5.806 21.634 24.092 1.00 0.00 ATOM 747 NH1 ARG 92 5.253 22.770 23.679 1.00 0.00 ATOM 748 NH2 ARG 92 5.336 20.487 23.646 1.00 0.00 ATOM 749 O ARG 92 9.988 24.888 29.876 1.00 0.00 ATOM 750 C ARG 92 10.512 24.625 28.800 1.00 0.00 ATOM 751 N VAL 93 11.152 25.479 28.035 1.00 0.00 ATOM 752 CA VAL 93 11.387 26.874 28.420 1.00 0.00 ATOM 753 CB VAL 93 12.717 27.083 29.179 1.00 0.00 ATOM 754 CG1 VAL 93 12.754 26.319 30.496 1.00 0.00 ATOM 755 CG2 VAL 93 13.933 26.743 28.310 1.00 0.00 ATOM 756 O VAL 93 11.300 27.337 26.058 1.00 0.00 ATOM 757 C VAL 93 11.318 27.808 27.204 1.00 0.00 ATOM 758 N PRO 94 11.214 29.108 27.473 1.00 0.00 ATOM 759 CA PRO 94 11.198 30.121 26.406 1.00 0.00 ATOM 760 CB PRO 94 10.419 31.290 27.009 1.00 0.00 ATOM 761 CG PRO 94 9.574 30.629 28.080 1.00 0.00 ATOM 762 CD PRO 94 10.528 29.607 28.659 1.00 0.00 ATOM 763 O PRO 94 13.491 30.800 26.770 1.00 0.00 ATOM 764 C PRO 94 12.569 30.637 25.970 1.00 0.00 ATOM 765 N VAL 95 12.593 31.016 24.702 1.00 0.00 ATOM 766 CA VAL 95 13.720 31.758 24.106 1.00 0.00 ATOM 767 CB VAL 95 14.384 31.110 22.883 1.00 0.00 ATOM 768 CG1 VAL 95 15.163 29.912 23.335 1.00 0.00 ATOM 769 CG2 VAL 95 13.432 30.574 21.834 1.00 0.00 ATOM 770 O VAL 95 12.095 33.253 23.156 1.00 0.00 ATOM 771 C VAL 95 13.219 33.116 23.639 1.00 0.00 ATOM 772 N SER 96 14.105 34.080 23.765 1.00 0.00 ATOM 773 CA SER 96 13.794 35.442 23.306 1.00 0.00 ATOM 774 CB SER 96 14.640 36.455 24.087 1.00 0.00 ATOM 775 OG SER 96 16.011 36.409 23.733 1.00 0.00 ATOM 776 O SER 96 14.762 34.854 21.180 1.00 0.00 ATOM 777 C SER 96 14.019 35.621 21.794 1.00 0.00 ATOM 778 N GLN 97 13.380 36.629 21.209 1.00 0.00 ATOM 779 CA GLN 97 13.526 36.891 19.782 1.00 0.00 ATOM 780 CB GLN 97 12.709 38.150 19.488 1.00 0.00 ATOM 781 CG GLN 97 12.767 38.542 18.016 1.00 0.00 ATOM 782 CD GLN 97 12.022 39.851 17.755 1.00 0.00 ATOM 783 OE1 GLN 97 11.572 40.548 18.658 1.00 0.00 ATOM 784 NE2 GLN 97 11.897 40.173 16.500 1.00 0.00 ATOM 785 O GLN 97 15.530 36.492 18.512 1.00 0.00 ATOM 786 C GLN 97 15.003 37.122 19.416 1.00 0.00 ATOM 787 N SER 98 15.702 37.865 20.273 1.00 0.00 ATOM 788 CA SER 98 17.123 38.191 20.028 1.00 0.00 ATOM 789 CB SER 98 17.622 39.315 20.925 1.00 0.00 ATOM 790 OG SER 98 17.595 38.950 22.306 1.00 0.00 ATOM 791 O SER 98 19.216 37.072 19.644 1.00 0.00 ATOM 792 C SER 98 18.089 37.000 20.141 1.00 0.00 ATOM 793 N TYR 99 17.695 35.972 20.875 1.00 0.00 ATOM 794 CA TYR 99 18.595 34.853 21.226 1.00 0.00 ATOM 795 CB TYR 99 18.703 34.657 22.737 1.00 0.00 ATOM 796 CG TYR 99 19.302 35.839 23.499 1.00 0.00 ATOM 797 CD1 TYR 99 20.027 36.833 22.853 1.00 0.00 ATOM 798 CD2 TYR 99 19.138 35.908 24.870 1.00 0.00 ATOM 799 CE1 TYR 99 20.569 37.886 23.557 1.00 0.00 ATOM 800 CE2 TYR 99 19.696 36.960 25.592 1.00 0.00 ATOM 801 CZ TYR 99 20.411 37.939 24.934 1.00 0.00 ATOM 802 OH TYR 99 20.953 38.987 25.605 1.00 0.00 ATOM 803 O TYR 99 19.147 32.598 20.627 1.00 0.00 ATOM 804 C TYR 99 18.276 33.479 20.654 1.00 0.00 ATOM 805 N ALA 100 17.059 33.330 20.146 1.00 0.00 ATOM 806 CA ALA 100 16.530 32.009 19.712 1.00 0.00 ATOM 807 CB ALA 100 15.092 32.162 19.223 1.00 0.00 ATOM 808 O ALA 100 17.521 30.171 18.508 1.00 0.00 ATOM 809 C ALA 100 17.322 31.385 18.559 1.00 0.00 ATOM 810 N SER 101 17.813 32.234 17.665 1.00 0.00 ATOM 811 CA SER 101 18.489 31.770 16.440 1.00 0.00 ATOM 812 CB SER 101 18.642 32.815 15.339 1.00 0.00 ATOM 813 OG SER 101 17.367 33.164 14.836 1.00 0.00 ATOM 814 O SER 101 20.238 30.208 16.030 1.00 0.00 ATOM 815 C SER 101 19.878 31.189 16.675 1.00 0.00 ATOM 816 N TYR 102 20.682 31.812 17.529 1.00 0.00 ATOM 817 CA TYR 102 22.005 31.235 17.889 1.00 0.00 ATOM 818 CB TYR 102 22.731 32.143 18.860 1.00 0.00 ATOM 819 CG TYR 102 24.090 31.607 19.252 1.00 0.00 ATOM 820 CD1 TYR 102 25.222 31.892 18.489 1.00 0.00 ATOM 821 CD2 TYR 102 24.238 30.778 20.361 1.00 0.00 ATOM 822 CE1 TYR 102 26.466 31.361 18.820 1.00 0.00 ATOM 823 CE2 TYR 102 25.481 30.238 20.699 1.00 0.00 ATOM 824 CZ TYR 102 26.591 30.534 19.924 1.00 0.00 ATOM 825 OH TYR 102 27.822 30.010 20.246 1.00 0.00 ATOM 826 O TYR 102 22.550 28.913 18.155 1.00 0.00 ATOM 827 C TYR 102 21.802 29.840 18.471 1.00 0.00 ATOM 828 N PHE 103 20.789 29.692 19.319 1.00 0.00 ATOM 829 CA PHE 103 20.498 28.395 19.938 1.00 0.00 ATOM 830 CB PHE 103 19.272 28.571 20.824 1.00 0.00 ATOM 831 CG PHE 103 19.016 27.298 21.606 1.00 0.00 ATOM 832 CD1 PHE 103 19.792 26.954 22.711 1.00 0.00 ATOM 833 CD2 PHE 103 18.010 26.483 21.108 1.00 0.00 ATOM 834 CE1 PHE 103 19.543 25.765 23.336 1.00 0.00 ATOM 835 CE2 PHE 103 17.747 25.312 21.741 1.00 0.00 ATOM 836 CZ PHE 103 18.523 25.019 22.807 1.00 0.00 ATOM 837 O PHE 103 20.685 26.247 18.859 1.00 0.00 ATOM 838 C PHE 103 20.200 27.345 18.820 1.00 0.00 ATOM 839 N ARG 104 19.392 27.746 17.832 1.00 0.00 ATOM 840 CA ARG 104 19.047 26.901 16.700 1.00 0.00 ATOM 841 CB ARG 104 18.318 27.844 15.738 1.00 0.00 ATOM 842 CG ARG 104 17.751 27.222 14.469 1.00 0.00 ATOM 843 CD ARG 104 17.085 28.296 13.597 1.00 0.00 ATOM 844 NE ARG 104 17.944 28.770 12.486 1.00 0.00 ATOM 845 CZ ARG 104 18.418 28.045 11.474 1.00 0.00 ATOM 846 NH1 ARG 104 18.239 26.739 11.369 1.00 0.00 ATOM 847 NH2 ARG 104 19.096 28.617 10.500 1.00 0.00 ATOM 848 O ARG 104 20.459 25.239 15.638 1.00 0.00 ATOM 849 C ARG 104 20.320 26.407 15.995 1.00 0.00 ATOM 850 N LYS 105 21.194 27.377 15.772 1.00 0.00 ATOM 851 CA LYS 105 22.440 27.194 15.033 1.00 0.00 ATOM 852 CB LYS 105 23.102 28.539 14.748 1.00 0.00 ATOM 853 CG LYS 105 24.359 28.363 13.899 1.00 0.00 ATOM 854 CD LYS 105 24.933 29.734 13.571 1.00 0.00 ATOM 855 CE LYS 105 26.059 29.572 12.567 1.00 0.00 ATOM 856 NZ LYS 105 26.624 30.868 12.241 1.00 0.00 ATOM 857 O LYS 105 23.941 25.311 15.119 1.00 0.00 ATOM 858 C LYS 105 23.375 26.213 15.739 1.00 0.00 ATOM 859 N LEU 106 23.464 26.412 17.041 1.00 0.00 ATOM 860 CA LEU 106 24.296 25.555 17.878 1.00 0.00 ATOM 861 CB LEU 106 24.282 26.184 19.259 1.00 0.00 ATOM 862 CG LEU 106 25.018 25.366 20.307 1.00 0.00 ATOM 863 CD1 LEU 106 26.488 25.310 19.983 1.00 0.00 ATOM 864 CD2 LEU 106 24.875 26.051 21.648 1.00 0.00 ATOM 865 O LEU 106 24.588 23.167 17.708 1.00 0.00 ATOM 866 C LEU 106 23.790 24.100 17.811 1.00 0.00 ATOM 867 N LEU 107 22.474 23.919 17.870 1.00 0.00 ATOM 868 CA LEU 107 21.891 22.584 17.812 1.00 0.00 ATOM 869 CB LEU 107 20.469 22.640 18.320 1.00 0.00 ATOM 870 CG LEU 107 20.349 23.004 19.785 1.00 0.00 ATOM 871 CD1 LEU 107 18.862 23.011 20.027 1.00 0.00 ATOM 872 CD2 LEU 107 21.054 22.014 20.722 1.00 0.00 ATOM 873 O LEU 107 21.469 20.795 16.294 1.00 0.00 ATOM 874 C LEU 107 21.863 21.940 16.423 1.00 0.00 ATOM 875 N GLY 108 22.141 22.751 15.402 1.00 0.00 ATOM 876 CA GLY 108 22.069 22.317 14.002 1.00 0.00 ATOM 877 O GLY 108 20.441 21.179 12.847 1.00 0.00 ATOM 878 C GLY 108 20.652 22.108 13.590 1.00 0.00 ATOM 879 N PHE 109 19.673 22.923 14.001 1.00 0.00 ATOM 880 CA PHE 109 18.254 22.799 13.644 1.00 0.00 ATOM 881 CB PHE 109 17.517 23.376 14.856 1.00 0.00 ATOM 882 CG PHE 109 15.998 23.153 14.817 1.00 0.00 ATOM 883 CD1 PHE 109 15.385 22.077 15.448 1.00 0.00 ATOM 884 CD2 PHE 109 15.195 24.034 14.104 1.00 0.00 ATOM 885 CE1 PHE 109 14.025 21.874 15.371 1.00 0.00 ATOM 886 CE2 PHE 109 13.832 23.821 13.998 1.00 0.00 ATOM 887 CZ PHE 109 13.249 22.746 14.647 1.00 0.00 ATOM 888 O PHE 109 18.956 24.337 11.940 1.00 0.00 ATOM 889 C PHE 109 17.990 23.688 12.399 1.00 0.00 TER END