PFRMAT TS TARGET T0331 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD A new trick this year is to optimize models with gromacs to knock them METHOD out of a local minimum. The gromacs optimization does terrible things METHOD to the model (messing up sidechains and peptide planes), but is good METHOD at removing clashes. The resulting models are only a small distance METHOD from the pre-optimization models, but score much worse with the METHOD undertaker cost functions, so undertaker can move them more freely METHOD than models it has optimized itself. METHOD METHOD For T0331, our biggest decision was not between templates, but between METHOD alignments. Did we leave out a strand or a helix? The t2k multiple METHOD alignment appears to have some misalignment at the C-terminus (key METHOD residues in alignment doesn't match with target sequence), so we METHOD preferred the t06 multiple alignment. METHOD METHOD We also did some optimization in a dimeric context (based on dimer METHOD 2fhq[AB]). METHOD METHOD Model 1 is try7-opt2-monomer, our best-scoring model, optimized METHOD as a dimer. METHOD METHOD Model 2 is try9-opt2-monomer, a model from the alternative alignment, METHOD which keeps the helix but discards the C-terminal strands. METHOD It was also optimized as a monomer, and rosetta METHOD prefers repacking the sidechains on it (probably METHOD because the less-packed model allows more freedom for METHOD the sidechains). METHOD METHOD Model 3 is try8-opt2-monomer, which is very similar to Model 1. METHOD It was also optimized as a dimer. METHOD METHOD Model 4 is sidechain replacement by SCWRL for a t2k alignment to 1g79A. METHOD METHOD Model 5 is sidechain replacement by SCWRL for a t06 alignment to 2fhqA. METHOD REMARK 6 REMARK 6 T0331 model 5 Tue Jul 4 18:43:25 2006 MODEL 5 PARENT 2fhq_A ATOM 2 N LEU 3 19.391 -1.191 -4.295 1.00 0.00 ATOM 3 CA LEU 3 19.014 0.227 -4.143 1.00 0.00 ATOM 4 CB LEU 3 20.050 0.968 -3.297 1.00 0.00 ATOM 5 CG LEU 3 19.796 2.461 -3.068 1.00 0.00 ATOM 6 CD1 LEU 3 18.490 2.676 -2.321 1.00 0.00 ATOM 7 CD2 LEU 3 20.920 3.078 -2.251 1.00 0.00 ATOM 8 O LEU 3 17.915 1.658 -5.739 1.00 0.00 ATOM 9 C LEU 3 18.910 0.972 -5.466 1.00 0.00 ATOM 10 N LYS 4 19.925 0.813 -6.303 1.00 0.00 ATOM 11 CA LYS 4 19.964 1.436 -7.616 1.00 0.00 ATOM 12 CB LYS 4 21.292 1.138 -8.313 1.00 0.00 ATOM 13 CG LYS 4 22.489 1.845 -7.697 1.00 0.00 ATOM 14 CD LYS 4 23.772 1.506 -8.438 1.00 0.00 ATOM 15 CE LYS 4 24.972 2.194 -7.808 1.00 0.00 ATOM 16 NZ LYS 4 26.241 1.845 -8.503 1.00 0.00 ATOM 17 O LYS 4 18.231 1.703 -9.298 1.00 0.00 ATOM 18 C LYS 4 18.836 0.931 -8.535 1.00 0.00 ATOM 19 N ASP 5 18.552 -0.363 -8.453 1.00 0.00 ATOM 20 CA ASP 5 17.426 -0.961 -9.174 1.00 0.00 ATOM 21 CB ASP 5 17.386 -2.473 -8.944 1.00 0.00 ATOM 22 CG ASP 5 18.491 -3.204 -9.682 1.00 0.00 ATOM 23 OD1 ASP 5 19.137 -2.583 -10.552 1.00 0.00 ATOM 24 OD2 ASP 5 18.710 -4.399 -9.390 1.00 0.00 ATOM 25 O ASP 5 15.175 -0.127 -9.535 1.00 0.00 ATOM 26 C ASP 5 16.072 -0.379 -8.713 1.00 0.00 ATOM 27 N ILE 6 15.941 -0.187 -7.397 1.00 0.00 ATOM 28 CA ILE 6 14.742 0.390 -6.810 1.00 0.00 ATOM 29 CB ILE 6 14.806 0.381 -5.272 1.00 0.00 ATOM 30 CG1 ILE 6 14.760 -1.054 -4.743 1.00 0.00 ATOM 31 CG2 ILE 6 13.632 1.149 -4.685 1.00 0.00 ATOM 32 CD1 ILE 6 15.080 -1.172 -3.269 1.00 0.00 ATOM 33 O ILE 6 13.404 2.263 -7.506 1.00 0.00 ATOM 34 C ILE 6 14.531 1.845 -7.245 1.00 0.00 ATOM 35 N MET 7 15.614 2.614 -7.325 1.00 0.00 ATOM 36 CA MET 7 15.539 3.999 -7.817 1.00 0.00 ATOM 37 CB MET 7 16.928 4.638 -7.828 1.00 0.00 ATOM 38 CG MET 7 17.499 4.904 -6.445 1.00 0.00 ATOM 39 SD MET 7 19.188 5.536 -6.500 1.00 0.00 ATOM 40 CE MET 7 18.920 7.159 -7.210 1.00 0.00 ATOM 41 O MET 7 14.040 4.774 -9.551 1.00 0.00 ATOM 42 C MET 7 14.978 4.022 -9.245 1.00 0.00 ATOM 43 N HIS 8 15.512 3.145 -10.099 1.00 0.00 ATOM 44 CA HIS 8 15.020 2.993 -11.463 1.00 0.00 ATOM 45 CB HIS 8 15.772 1.871 -12.183 1.00 0.00 ATOM 46 CG HIS 8 15.324 1.652 -13.594 1.00 0.00 ATOM 47 CD2 HIS 8 14.563 0.628 -14.296 1.00 0.00 ATOM 48 ND1 HIS 8 15.614 2.535 -14.613 1.00 0.00 ATOM 49 CE1 HIS 8 15.083 2.072 -15.758 1.00 0.00 ATOM 50 NE2 HIS 8 14.450 0.929 -15.574 1.00 0.00 ATOM 51 O HIS 8 12.787 3.205 -12.311 1.00 0.00 ATOM 52 C HIS 8 13.535 2.649 -11.514 1.00 0.00 ATOM 53 N ILE 9 13.128 1.717 -10.663 1.00 0.00 ATOM 54 CA ILE 9 11.734 1.282 -10.553 1.00 0.00 ATOM 55 CB ILE 9 11.564 0.197 -9.474 1.00 0.00 ATOM 56 CG1 ILE 9 12.263 -1.095 -9.902 1.00 0.00 ATOM 57 CG2 ILE 9 10.090 -0.105 -9.249 1.00 0.00 ATOM 58 CD1 ILE 9 12.381 -2.121 -8.796 1.00 0.00 ATOM 59 O ILE 9 9.738 2.648 -10.765 1.00 0.00 ATOM 60 C ILE 9 10.820 2.463 -10.178 1.00 0.00 ATOM 61 N LEU 10 11.261 3.240 -9.184 1.00 0.00 ATOM 62 CA LEU 10 10.483 4.364 -8.656 1.00 0.00 ATOM 63 CB LEU 10 11.216 5.019 -7.483 1.00 0.00 ATOM 64 CG LEU 10 10.526 6.223 -6.839 1.00 0.00 ATOM 65 CD1 LEU 10 9.180 5.821 -6.253 1.00 0.00 ATOM 66 CD2 LEU 10 11.380 6.797 -5.720 1.00 0.00 ATOM 67 O LEU 10 9.160 5.903 -9.894 1.00 0.00 ATOM 68 C LEU 10 10.269 5.404 -9.729 1.00 0.00 ATOM 69 N GLU 11 11.337 5.728 -10.451 1.00 0.00 ATOM 70 CA GLU 11 11.266 6.703 -11.542 1.00 0.00 ATOM 71 CB GLU 11 12.596 6.762 -12.296 1.00 0.00 ATOM 72 CG GLU 11 13.730 7.393 -11.504 1.00 0.00 ATOM 73 CD GLU 11 15.060 7.314 -12.229 1.00 0.00 ATOM 74 OE1 GLU 11 15.108 6.705 -13.320 1.00 0.00 ATOM 75 OE2 GLU 11 16.054 7.859 -11.706 1.00 0.00 ATOM 76 O GLU 11 9.633 7.222 -13.244 1.00 0.00 ATOM 77 C GLU 11 10.167 6.343 -12.554 1.00 0.00 ATOM 78 N ASP 12 9.798 5.064 -12.598 1.00 0.00 ATOM 79 CA ASP 12 8.745 4.574 -13.499 1.00 0.00 ATOM 80 CB ASP 12 9.004 3.117 -13.884 1.00 0.00 ATOM 81 CG ASP 12 10.271 2.945 -14.698 1.00 0.00 ATOM 82 OD1 ASP 12 10.450 3.692 -15.683 1.00 0.00 ATOM 83 OD2 ASP 12 11.086 2.065 -14.351 1.00 0.00 ATOM 84 O ASP 12 6.359 4.498 -13.603 1.00 0.00 ATOM 85 C ASP 12 7.353 4.630 -12.885 1.00 0.00 ATOM 86 N MET 13 7.276 4.794 -11.562 1.00 0.00 ATOM 87 CA MET 13 5.993 4.811 -10.860 1.00 0.00 ATOM 88 CB MET 13 6.114 4.111 -9.506 1.00 0.00 ATOM 89 CG MET 13 6.512 2.646 -9.598 1.00 0.00 ATOM 90 SD MET 13 5.270 1.640 -10.432 1.00 0.00 ATOM 91 CE MET 13 3.910 1.745 -9.270 1.00 0.00 ATOM 92 O MET 13 6.301 7.081 -10.144 1.00 0.00 ATOM 93 C MET 13 5.527 6.242 -10.619 1.00 0.00 ATOM 94 N LYS 14 4.276 6.534 -10.953 1.00 0.00 ATOM 95 CA LYS 14 3.707 7.835 -10.600 1.00 0.00 ATOM 96 CB LYS 14 2.887 8.395 -11.764 1.00 0.00 ATOM 97 CG LYS 14 3.707 8.712 -13.005 1.00 0.00 ATOM 98 CD LYS 14 2.828 9.244 -14.125 1.00 0.00 ATOM 99 CE LYS 14 3.649 9.569 -15.363 1.00 0.00 ATOM 100 NZ LYS 14 2.814 10.164 -16.442 1.00 0.00 ATOM 101 O LYS 14 2.329 8.723 -8.837 1.00 0.00 ATOM 102 C LYS 14 2.790 7.717 -9.383 1.00 0.00 ATOM 103 N VAL 15 2.558 6.478 -8.953 1.00 0.00 ATOM 104 CA VAL 15 1.695 6.174 -7.820 1.00 0.00 ATOM 105 CB VAL 15 0.413 5.447 -8.266 1.00 0.00 ATOM 106 CG1 VAL 15 -0.447 5.097 -7.062 1.00 0.00 ATOM 107 CG2 VAL 15 -0.402 6.329 -9.200 1.00 0.00 ATOM 108 O VAL 15 3.234 4.384 -7.252 1.00 0.00 ATOM 109 C VAL 15 2.465 5.268 -6.838 1.00 0.00 ATOM 110 N GLY 16 2.266 5.516 -5.543 1.00 0.00 ATOM 111 CA GLY 16 2.828 4.681 -4.489 1.00 0.00 ATOM 112 O GLY 16 0.654 5.028 -3.603 1.00 0.00 ATOM 113 C GLY 16 1.692 4.390 -3.523 1.00 0.00 ATOM 114 N VAL 17 1.873 3.422 -2.632 1.00 0.00 ATOM 115 CA VAL 17 0.911 3.213 -1.548 1.00 0.00 ATOM 116 CB VAL 17 0.456 1.744 -1.471 1.00 0.00 ATOM 117 CG1 VAL 17 -0.503 1.543 -0.308 1.00 0.00 ATOM 118 CG2 VAL 17 -0.253 1.338 -2.754 1.00 0.00 ATOM 119 O VAL 17 2.639 3.067 0.125 1.00 0.00 ATOM 120 C VAL 17 1.560 3.590 -0.222 1.00 0.00 ATOM 121 N PHE 18 0.889 4.464 0.526 1.00 0.00 ATOM 122 CA PHE 18 1.432 5.032 1.761 1.00 0.00 ATOM 123 CB PHE 18 1.396 6.561 1.710 1.00 0.00 ATOM 124 CG PHE 18 1.909 7.222 2.957 1.00 0.00 ATOM 125 CD1 PHE 18 3.268 7.298 3.211 1.00 0.00 ATOM 126 CD2 PHE 18 1.032 7.767 3.879 1.00 0.00 ATOM 127 CE1 PHE 18 3.738 7.906 4.359 1.00 0.00 ATOM 128 CE2 PHE 18 1.503 8.375 5.027 1.00 0.00 ATOM 129 CZ PHE 18 2.851 8.445 5.269 1.00 0.00 ATOM 130 O PHE 18 -0.652 4.558 2.801 1.00 0.00 ATOM 131 C PHE 18 0.582 4.538 2.904 1.00 0.00 ATOM 132 N ALA 19 1.223 4.047 3.964 1.00 0.00 ATOM 133 CA ALA 19 0.523 3.650 5.179 1.00 0.00 ATOM 134 CB ALA 19 0.856 2.210 5.535 1.00 0.00 ATOM 135 O ALA 19 2.066 4.848 6.584 1.00 0.00 ATOM 136 C ALA 19 0.897 4.513 6.372 1.00 0.00 ATOM 137 N THR 20 -0.115 4.856 7.152 1.00 0.00 ATOM 138 CA THR 20 0.057 5.460 8.457 1.00 0.00 ATOM 139 CB THR 20 -0.742 6.771 8.581 1.00 0.00 ATOM 140 CG2 THR 20 -0.356 7.738 7.474 1.00 0.00 ATOM 141 OG1 THR 20 -2.144 6.489 8.485 1.00 0.00 ATOM 142 O THR 20 -0.987 3.406 9.068 1.00 0.00 ATOM 143 C THR 20 -0.450 4.436 9.458 1.00 0.00 ATOM 144 N LEU 21 -0.279 4.730 10.740 1.00 0.00 ATOM 145 CA LEU 21 -0.939 4.003 11.800 1.00 0.00 ATOM 146 CB LEU 21 0.086 3.486 12.812 1.00 0.00 ATOM 147 CG LEU 21 1.151 2.530 12.272 1.00 0.00 ATOM 148 CD1 LEU 21 2.149 2.166 13.361 1.00 0.00 ATOM 149 CD2 LEU 21 0.513 1.246 11.763 1.00 0.00 ATOM 150 O LEU 21 -1.489 6.097 12.869 1.00 0.00 ATOM 151 C LEU 21 -1.904 4.994 12.467 1.00 0.00 ATOM 152 N ASP 22 -3.178 4.625 12.567 1.00 0.00 ATOM 153 CA ASP 22 -4.127 5.524 13.216 1.00 0.00 ATOM 154 CB ASP 22 -5.560 5.166 12.819 1.00 0.00 ATOM 155 CG ASP 22 -5.998 3.821 13.367 1.00 0.00 ATOM 156 OD1 ASP 22 -5.317 3.299 14.274 1.00 0.00 ATOM 157 OD2 ASP 22 -7.023 3.291 12.889 1.00 0.00 ATOM 158 O ASP 22 -3.260 4.630 15.290 1.00 0.00 ATOM 159 C ASP 22 -4.024 5.438 14.746 1.00 0.00 ATOM 160 N GLU 23 -4.772 6.286 15.443 1.00 0.00 ATOM 161 CA GLU 23 -4.649 6.322 16.890 1.00 0.00 ATOM 162 CB GLU 23 -5.552 7.410 17.477 1.00 0.00 ATOM 163 CG GLU 23 -5.080 8.827 17.194 1.00 0.00 ATOM 164 CD GLU 23 -6.044 9.875 17.712 1.00 0.00 ATOM 165 OE1 GLU 23 -7.121 9.495 18.216 1.00 0.00 ATOM 166 OE2 GLU 23 -5.720 11.079 17.615 1.00 0.00 ATOM 167 O GLU 23 -4.629 4.731 18.668 1.00 0.00 ATOM 168 C GLU 23 -5.043 5.002 17.551 1.00 0.00 ATOM 169 N TYR 24 -5.834 4.187 16.855 1.00 0.00 ATOM 170 CA TYR 24 -6.240 2.889 17.396 1.00 0.00 ATOM 171 CB TYR 24 -7.590 2.465 16.814 1.00 0.00 ATOM 172 CG TYR 24 -8.749 3.328 17.265 1.00 0.00 ATOM 173 CD1 TYR 24 -9.231 4.349 16.457 1.00 0.00 ATOM 174 CD2 TYR 24 -9.356 3.117 18.496 1.00 0.00 ATOM 175 CE1 TYR 24 -10.289 5.142 16.860 1.00 0.00 ATOM 176 CE2 TYR 24 -10.415 3.899 18.915 1.00 0.00 ATOM 177 CZ TYR 24 -10.878 4.918 18.084 1.00 0.00 ATOM 178 OH TYR 24 -11.932 5.706 18.487 1.00 0.00 ATOM 179 O TYR 24 -5.535 0.607 17.495 1.00 0.00 ATOM 180 C TYR 24 -5.267 1.735 17.102 1.00 0.00 ATOM 181 N GLY 25 -4.160 2.022 16.411 1.00 0.00 ATOM 182 CA GLY 25 -3.132 1.021 16.113 1.00 0.00 ATOM 183 O GLY 25 -2.564 -0.615 14.463 1.00 0.00 ATOM 184 C GLY 25 -3.309 0.310 14.774 1.00 0.00 ATOM 185 N ASN 26 -4.287 0.745 13.979 1.00 0.00 ATOM 186 CA ASN 26 -4.560 0.145 12.655 1.00 0.00 ATOM 187 CB ASN 26 -6.031 0.331 12.276 1.00 0.00 ATOM 188 CG ASN 26 -6.966 -0.486 13.147 1.00 0.00 ATOM 189 ND2 ASN 26 -8.218 -0.057 13.233 1.00 0.00 ATOM 190 OD1 ASN 26 -6.561 -1.490 13.736 1.00 0.00 ATOM 191 O ASN 26 -3.683 2.005 11.475 1.00 0.00 ATOM 192 C ASN 26 -3.719 0.783 11.583 1.00 0.00 ATOM 193 N PRO 27 -3.046 -0.043 10.753 1.00 0.00 ATOM 194 CA PRO 27 -2.309 0.543 9.632 1.00 0.00 ATOM 195 CB PRO 27 -1.316 -0.550 9.228 1.00 0.00 ATOM 196 CG PRO 27 -1.985 -1.825 9.620 1.00 0.00 ATOM 197 CD PRO 27 -2.777 -1.516 10.859 1.00 0.00 ATOM 198 O PRO 27 -4.271 0.147 8.325 1.00 0.00 ATOM 199 C PRO 27 -3.300 0.874 8.514 1.00 0.00 ATOM 200 N HIS 28 -3.054 1.967 7.790 1.00 0.00 ATOM 201 CA HIS 28 -3.995 2.494 6.801 1.00 0.00 ATOM 202 CB HIS 28 -4.606 3.807 7.289 1.00 0.00 ATOM 203 CG HIS 28 -5.697 4.331 6.408 1.00 0.00 ATOM 204 CD2 HIS 28 -6.525 3.782 5.343 1.00 0.00 ATOM 205 ND1 HIS 28 -6.158 5.627 6.482 1.00 0.00 ATOM 206 CE1 HIS 28 -7.132 5.800 5.572 1.00 0.00 ATOM 207 NE2 HIS 28 -7.359 4.696 4.885 1.00 0.00 ATOM 208 O HIS 28 -2.746 3.839 5.297 1.00 0.00 ATOM 209 C HIS 28 -3.264 2.744 5.494 1.00 0.00 ATOM 210 N ALA 29 -3.225 1.734 4.598 1.00 0.00 ATOM 211 CA ALA 29 -2.593 1.888 3.296 1.00 0.00 ATOM 212 CB ALA 29 -2.287 0.526 2.691 1.00 0.00 ATOM 213 O ALA 29 -4.723 2.382 2.298 1.00 0.00 ATOM 214 C ALA 29 -3.527 2.653 2.340 1.00 0.00 ATOM 215 N ARG 30 -2.992 3.633 1.623 1.00 0.00 ATOM 216 CA ARG 30 -3.771 4.372 0.618 1.00 0.00 ATOM 217 CB ARG 30 -4.301 5.681 1.207 1.00 0.00 ATOM 218 CG ARG 30 -5.172 6.483 0.255 1.00 0.00 ATOM 219 CD ARG 30 -5.752 7.711 0.937 1.00 0.00 ATOM 220 NE ARG 30 -6.541 8.527 0.018 1.00 0.00 ATOM 221 CZ ARG 30 -7.278 9.569 0.388 1.00 0.00 ATOM 222 NH1 ARG 30 -7.963 10.253 -0.518 1.00 0.00 ATOM 223 NH2 ARG 30 -7.329 9.925 1.664 1.00 0.00 ATOM 224 O ARG 30 -1.703 5.003 -0.422 1.00 0.00 ATOM 225 C ARG 30 -2.880 4.697 -0.590 1.00 0.00 ATOM 226 N HIS 31 -3.423 4.582 -1.815 1.00 0.00 ATOM 227 CA HIS 31 -2.665 5.006 -2.990 1.00 0.00 ATOM 228 CB HIS 31 -3.381 4.580 -4.273 1.00 0.00 ATOM 229 CG HIS 31 -3.403 3.099 -4.489 1.00 0.00 ATOM 230 CD2 HIS 31 -4.402 2.047 -4.372 1.00 0.00 ATOM 231 ND1 HIS 31 -2.295 2.391 -4.902 1.00 0.00 ATOM 232 CE1 HIS 31 -2.622 1.090 -5.007 1.00 0.00 ATOM 233 NE2 HIS 31 -3.883 0.876 -4.691 1.00 0.00 ATOM 234 O HIS 31 -3.424 7.259 -2.745 1.00 0.00 ATOM 235 C HIS 31 -2.487 6.518 -3.043 1.00 0.00 ATOM 236 N ALA 32 -1.290 6.962 -3.426 1.00 0.00 ATOM 237 CA ALA 32 -0.947 8.369 -3.418 1.00 0.00 ATOM 238 CB ALA 32 -0.109 8.703 -2.194 1.00 0.00 ATOM 239 O ALA 32 0.677 7.892 -5.095 1.00 0.00 ATOM 240 C ALA 32 -0.158 8.688 -4.669 1.00 0.00 ATOM 241 N HIS 33 -0.367 9.874 -5.237 1.00 0.00 ATOM 242 CA HIS 33 0.467 10.265 -6.364 1.00 0.00 ATOM 243 CB HIS 33 -0.158 11.445 -7.110 1.00 0.00 ATOM 244 CG HIS 33 -1.437 11.106 -7.811 1.00 0.00 ATOM 245 CD2 HIS 33 -2.854 11.305 -7.540 1.00 0.00 ATOM 246 ND1 HIS 33 -1.471 10.445 -9.020 1.00 0.00 ATOM 247 CE1 HIS 33 -2.752 10.285 -9.396 1.00 0.00 ATOM 248 NE2 HIS 33 -3.587 10.798 -8.512 1.00 0.00 ATOM 249 O HIS 33 1.873 11.344 -4.781 1.00 0.00 ATOM 250 C HIS 33 1.814 10.657 -5.796 1.00 0.00 ATOM 251 N ILE 34 2.875 10.219 -6.466 1.00 0.00 ATOM 252 CA ILE 34 4.244 10.555 -6.122 1.00 0.00 ATOM 253 CB ILE 34 5.230 9.481 -6.616 1.00 0.00 ATOM 254 CG1 ILE 34 4.906 8.126 -5.982 1.00 0.00 ATOM 255 CG2 ILE 34 6.657 9.856 -6.246 1.00 0.00 ATOM 256 CD1 ILE 34 5.688 6.974 -6.571 1.00 0.00 ATOM 257 O ILE 34 4.614 11.956 -8.033 1.00 0.00 ATOM 258 C ILE 34 4.549 11.889 -6.795 1.00 0.00 ATOM 259 N THR 35 4.720 12.953 -6.013 1.00 0.00 ATOM 260 CA THR 35 4.933 14.242 -6.660 1.00 0.00 ATOM 261 CB THR 35 4.492 15.407 -5.755 1.00 0.00 ATOM 262 CG2 THR 35 3.016 15.283 -5.408 1.00 0.00 ATOM 263 OG1 THR 35 5.257 15.391 -4.543 1.00 0.00 ATOM 264 O THR 35 6.743 15.005 -8.059 1.00 0.00 ATOM 265 C THR 35 6.414 14.462 -7.002 1.00 0.00 ATOM 266 N ALA 36 7.292 13.954 -6.148 1.00 0.00 ATOM 267 CA ALA 36 8.728 13.992 -6.382 1.00 0.00 ATOM 268 CB ALA 36 9.278 15.378 -6.082 1.00 0.00 ATOM 269 O ALA 36 8.884 12.581 -4.469 1.00 0.00 ATOM 270 C ALA 36 9.423 12.976 -5.477 1.00 0.00 ATOM 271 N ALA 37 10.632 12.580 -5.849 1.00 0.00 ATOM 272 CA ALA 37 11.459 11.710 -5.020 1.00 0.00 ATOM 273 CB ALA 37 11.197 10.250 -5.356 1.00 0.00 ATOM 274 O ALA 37 13.353 12.347 -6.353 1.00 0.00 ATOM 275 C ALA 37 12.942 11.994 -5.241 1.00 0.00 ATOM 276 N ASN 38 13.734 11.852 -4.180 1.00 0.00 ATOM 277 CA ASN 38 15.192 11.967 -4.232 1.00 0.00 ATOM 278 CB ASN 38 15.692 12.934 -3.157 1.00 0.00 ATOM 279 CG ASN 38 15.218 14.355 -3.386 1.00 0.00 ATOM 280 ND2 ASN 38 14.375 14.850 -2.486 1.00 0.00 ATOM 281 OD1 ASN 38 15.606 15.000 -4.361 1.00 0.00 ATOM 282 O ASN 38 15.624 10.066 -2.837 1.00 0.00 ATOM 283 C ASN 38 15.688 10.538 -3.982 1.00 0.00 ATOM 287 N GLU 40 15.286 7.648 -1.035 1.00 0.00 ATOM 288 CA GLU 40 15.532 8.197 0.293 1.00 0.00 ATOM 289 CB GLU 40 16.842 8.988 0.311 1.00 0.00 ATOM 290 CG GLU 40 18.088 8.127 0.202 1.00 0.00 ATOM 291 CD GLU 40 19.359 8.950 0.099 1.00 0.00 ATOM 292 OE1 GLU 40 19.256 10.194 0.041 1.00 0.00 ATOM 293 OE2 GLU 40 20.454 8.352 0.079 1.00 0.00 ATOM 294 O GLU 40 14.062 9.143 1.921 1.00 0.00 ATOM 295 C GLU 40 14.433 9.137 0.757 1.00 0.00 ATOM 296 N GLY 41 13.925 9.962 -0.152 1.00 0.00 ATOM 297 CA GLY 41 12.912 10.941 0.208 1.00 0.00 ATOM 298 O GLY 41 12.101 10.910 -2.008 1.00 0.00 ATOM 299 C GLY 41 11.821 10.887 -0.832 1.00 0.00 ATOM 300 N ILE 42 10.578 10.821 -0.383 1.00 0.00 ATOM 301 CA ILE 42 9.470 10.759 -1.324 1.00 0.00 ATOM 302 CB ILE 42 8.847 9.353 -1.369 1.00 0.00 ATOM 303 CG1 ILE 42 9.885 8.323 -1.818 1.00 0.00 ATOM 304 CG2 ILE 42 7.681 9.318 -2.346 1.00 0.00 ATOM 305 CD1 ILE 42 9.419 6.889 -1.691 1.00 0.00 ATOM 306 O ILE 42 8.037 11.789 0.286 1.00 0.00 ATOM 307 C ILE 42 8.410 11.757 -0.885 1.00 0.00 ATOM 308 N PHE 43 7.949 12.571 -1.841 1.00 0.00 ATOM 309 CA PHE 43 7.055 13.693 -1.579 1.00 0.00 ATOM 310 CB PHE 43 7.568 14.959 -2.268 1.00 0.00 ATOM 311 CG PHE 43 8.856 15.481 -1.696 1.00 0.00 ATOM 312 CD1 PHE 43 10.074 15.072 -2.212 1.00 0.00 ATOM 313 CD2 PHE 43 8.851 16.378 -0.642 1.00 0.00 ATOM 314 CE1 PHE 43 11.259 15.551 -1.687 1.00 0.00 ATOM 315 CE2 PHE 43 10.036 16.857 -0.117 1.00 0.00 ATOM 316 CZ PHE 43 11.237 16.447 -0.635 1.00 0.00 ATOM 317 O PHE 43 5.502 13.041 -3.251 1.00 0.00 ATOM 318 C PHE 43 5.662 13.413 -2.092 1.00 0.00 ATOM 319 N PHE 44 4.665 13.635 -1.240 1.00 0.00 ATOM 320 CA PHE 44 3.256 13.534 -1.604 1.00 0.00 ATOM 321 CB PHE 44 2.627 12.292 -0.972 1.00 0.00 ATOM 322 CG PHE 44 3.290 11.005 -1.371 1.00 0.00 ATOM 323 CD1 PHE 44 4.305 10.465 -0.603 1.00 0.00 ATOM 324 CD2 PHE 44 2.901 10.336 -2.518 1.00 0.00 ATOM 325 CE1 PHE 44 4.916 9.281 -0.970 1.00 0.00 ATOM 326 CE2 PHE 44 3.511 9.152 -2.887 1.00 0.00 ATOM 327 CZ PHE 44 4.514 8.624 -2.118 1.00 0.00 ATOM 328 O PHE 44 3.009 15.569 -0.350 1.00 0.00 ATOM 329 C PHE 44 2.489 14.776 -1.114 1.00 0.00 ATOM 330 N MET 45 1.254 14.941 -1.564 1.00 0.00 ATOM 331 CA MET 45 0.444 16.036 -1.056 1.00 0.00 ATOM 332 CB MET 45 0.094 17.011 -2.181 1.00 0.00 ATOM 333 CG MET 45 1.296 17.721 -2.782 1.00 0.00 ATOM 334 SD MET 45 0.846 18.833 -4.129 1.00 0.00 ATOM 335 CE MET 45 0.456 17.657 -5.423 1.00 0.00 ATOM 336 O MET 45 -1.205 14.317 -0.783 1.00 0.00 ATOM 337 C MET 45 -0.830 15.461 -0.474 1.00 0.00 ATOM 338 N THR 46 -1.480 16.238 0.390 1.00 0.00 ATOM 339 CA THR 46 -2.710 15.823 1.055 1.00 0.00 ATOM 340 CB THR 46 -2.427 14.830 2.198 1.00 0.00 ATOM 341 CG2 THR 46 -1.722 15.531 3.350 1.00 0.00 ATOM 342 OG1 THR 46 -3.661 14.280 2.675 1.00 0.00 ATOM 343 O THR 46 -2.837 18.125 1.631 1.00 0.00 ATOM 344 C THR 46 -3.402 17.059 1.640 1.00 0.00 ATOM 345 N SER 47 -4.645 16.907 2.086 1.00 0.00 ATOM 346 CA SER 47 -5.363 17.992 2.797 1.00 0.00 ATOM 347 CB SER 47 -6.860 17.683 2.875 1.00 0.00 ATOM 348 OG SER 47 -7.437 17.627 1.581 1.00 0.00 ATOM 349 O SER 47 -4.470 17.258 4.910 1.00 0.00 ATOM 350 C SER 47 -4.879 18.203 4.225 1.00 0.00 ATOM 351 N PRO 48 -4.957 19.432 4.705 1.00 0.00 ATOM 352 CA PRO 48 -4.544 19.742 6.067 1.00 0.00 ATOM 353 CB PRO 48 -4.723 21.258 6.173 1.00 0.00 ATOM 354 CG PRO 48 -5.742 21.586 5.132 1.00 0.00 ATOM 355 CD PRO 48 -5.491 20.643 3.990 1.00 0.00 ATOM 356 O PRO 48 -4.963 18.777 8.211 1.00 0.00 ATOM 357 C PRO 48 -5.406 19.010 7.091 1.00 0.00 ATOM 358 N GLU 49 -6.611 18.617 6.696 1.00 0.00 ATOM 359 CA GLU 49 -7.527 17.883 7.591 1.00 0.00 ATOM 360 CB GLU 49 -8.911 18.533 7.590 1.00 0.00 ATOM 361 CG GLU 49 -8.926 19.967 8.091 1.00 0.00 ATOM 362 CD GLU 49 -10.318 20.569 8.095 1.00 0.00 ATOM 363 OE1 GLU 49 -11.279 19.847 7.755 1.00 0.00 ATOM 364 OE2 GLU 49 -10.447 21.764 8.439 1.00 0.00 ATOM 365 O GLU 49 -8.677 15.779 7.678 1.00 0.00 ATOM 366 C GLU 49 -7.730 16.420 7.208 1.00 0.00 ATOM 367 N THR 50 -6.849 15.888 6.357 1.00 0.00 ATOM 368 CA THR 50 -7.002 14.514 5.877 1.00 0.00 ATOM 369 CB THR 50 -6.018 14.203 4.734 1.00 0.00 ATOM 370 CG2 THR 50 -6.229 15.163 3.573 1.00 0.00 ATOM 371 OG1 THR 50 -4.672 14.336 5.207 1.00 0.00 ATOM 372 O THR 50 -6.006 13.878 7.962 1.00 0.00 ATOM 373 C THR 50 -6.730 13.537 7.028 1.00 0.00 ATOM 374 N HIS 51 -7.283 12.328 6.937 1.00 0.00 ATOM 375 CA HIS 51 -6.983 11.270 7.906 1.00 0.00 ATOM 376 CB HIS 51 -7.690 9.970 7.515 1.00 0.00 ATOM 377 CG HIS 51 -9.172 10.002 7.724 1.00 0.00 ATOM 378 CD2 HIS 51 -10.344 9.914 6.864 1.00 0.00 ATOM 379 ND1 HIS 51 -9.747 10.142 8.969 1.00 0.00 ATOM 380 CE1 HIS 51 -11.085 10.135 8.837 1.00 0.00 ATOM 381 NE2 HIS 51 -11.450 9.999 7.577 1.00 0.00 ATOM 382 O HIS 51 -4.946 10.746 9.058 1.00 0.00 ATOM 383 C HIS 51 -5.480 10.981 7.983 1.00 0.00 ATOM 384 N PHE 52 -4.799 10.986 6.837 1.00 0.00 ATOM 385 CA PHE 52 -3.345 10.823 6.813 1.00 0.00 ATOM 386 CB PHE 52 -2.817 10.935 5.381 1.00 0.00 ATOM 387 CG PHE 52 -1.323 10.818 5.275 1.00 0.00 ATOM 388 CD1 PHE 52 -0.707 9.580 5.317 1.00 0.00 ATOM 389 CD2 PHE 52 -0.535 11.947 5.131 1.00 0.00 ATOM 390 CE1 PHE 52 0.668 9.473 5.219 1.00 0.00 ATOM 391 CE2 PHE 52 0.839 11.840 5.034 1.00 0.00 ATOM 392 CZ PHE 52 1.441 10.610 5.077 1.00 0.00 ATOM 393 O PHE 52 -1.816 11.578 8.516 1.00 0.00 ATOM 394 C PHE 52 -2.650 11.895 7.659 1.00 0.00 ATOM 395 N TYR 53 -2.995 13.169 7.430 1.00 0.00 ATOM 396 CA TYR 53 -2.420 14.237 8.241 1.00 0.00 ATOM 397 CB TYR 53 -3.021 15.588 7.849 1.00 0.00 ATOM 398 CG TYR 53 -2.506 16.748 8.672 1.00 0.00 ATOM 399 CD1 TYR 53 -1.270 17.323 8.398 1.00 0.00 ATOM 400 CD2 TYR 53 -3.257 17.267 9.720 1.00 0.00 ATOM 401 CE1 TYR 53 -0.792 18.383 9.144 1.00 0.00 ATOM 402 CE2 TYR 53 -2.795 18.327 10.476 1.00 0.00 ATOM 403 CZ TYR 53 -1.552 18.884 10.180 1.00 0.00 ATOM 404 OH TYR 53 -1.078 19.939 10.924 1.00 0.00 ATOM 405 O TYR 53 -1.798 14.105 10.506 1.00 0.00 ATOM 406 C TYR 53 -2.692 14.007 9.714 1.00 0.00 ATOM 407 N ASP 54 -3.913 13.652 10.073 1.00 0.00 ATOM 408 CA ASP 54 -4.258 13.422 11.484 1.00 0.00 ATOM 409 CB ASP 54 -5.730 13.025 11.618 1.00 0.00 ATOM 410 CG ASP 54 -6.672 14.188 11.376 1.00 0.00 ATOM 411 OD1 ASP 54 -6.195 15.341 11.342 1.00 0.00 ATOM 412 OD2 ASP 54 -7.886 13.946 11.221 1.00 0.00 ATOM 413 O ASP 54 -2.818 12.450 13.180 1.00 0.00 ATOM 414 C ASP 54 -3.405 12.296 12.093 1.00 0.00 ATOM 415 N GLN 55 -3.296 11.170 11.384 1.00 0.00 ATOM 416 CA GLN 55 -2.432 10.078 11.852 1.00 0.00 ATOM 417 CB GLN 55 -2.397 8.944 10.824 1.00 0.00 ATOM 418 CG GLN 55 -3.687 8.145 10.737 1.00 0.00 ATOM 419 CD GLN 55 -3.620 7.042 9.699 1.00 0.00 ATOM 420 OE1 GLN 55 -3.725 7.298 8.499 1.00 0.00 ATOM 421 NE2 GLN 55 -3.444 5.810 10.159 1.00 0.00 ATOM 422 O GLN 55 -0.425 10.243 13.146 1.00 0.00 ATOM 423 C GLN 55 -0.992 10.517 12.084 1.00 0.00 ATOM 424 N LEU 56 -0.404 11.195 11.099 1.00 0.00 ATOM 425 CA LEU 56 1.030 11.504 11.149 1.00 0.00 ATOM 426 CB LEU 56 1.517 12.004 9.787 1.00 0.00 ATOM 427 CG LEU 56 1.490 10.990 8.642 1.00 0.00 ATOM 428 CD1 LEU 56 1.883 11.651 7.331 1.00 0.00 ATOM 429 CD2 LEU 56 2.459 9.851 8.911 1.00 0.00 ATOM 430 O LEU 56 2.537 12.633 12.640 1.00 0.00 ATOM 431 C LEU 56 1.388 12.579 12.169 1.00 0.00 ATOM 432 N MET 57 0.410 13.423 12.490 1.00 0.00 ATOM 433 CA MET 57 0.568 14.427 13.546 1.00 0.00 ATOM 434 CB MET 57 -0.676 15.313 13.634 1.00 0.00 ATOM 435 CG MET 57 -0.875 16.226 12.435 1.00 0.00 ATOM 436 SD MET 57 0.495 17.374 12.202 1.00 0.00 ATOM 437 CE MET 57 0.297 18.434 13.633 1.00 0.00 ATOM 438 O MET 57 1.398 14.406 15.764 1.00 0.00 ATOM 439 C MET 57 0.777 13.800 14.901 1.00 0.00 ATOM 440 N GLY 58 0.269 12.584 15.096 1.00 0.00 ATOM 441 CA GLY 58 0.474 11.900 16.365 1.00 0.00 ATOM 442 O GLY 58 1.976 10.285 17.310 1.00 0.00 ATOM 443 C GLY 58 1.412 10.687 16.296 1.00 0.00 ATOM 444 N ASP 59 1.603 10.118 15.100 1.00 0.00 ATOM 445 CA ASP 59 2.508 8.998 14.935 1.00 0.00 ATOM 446 CB ASP 59 1.735 7.678 14.950 1.00 0.00 ATOM 447 CG ASP 59 2.646 6.469 14.857 1.00 0.00 ATOM 448 OD1 ASP 59 3.864 6.657 14.659 1.00 0.00 ATOM 449 OD2 ASP 59 2.141 5.334 14.984 1.00 0.00 ATOM 450 O ASP 59 2.613 8.936 12.578 1.00 0.00 ATOM 451 C ASP 59 3.225 9.148 13.605 1.00 0.00 ATOM 452 N GLN 60 4.522 9.516 13.618 1.00 0.00 ATOM 453 CA GLN 60 5.246 9.724 12.367 1.00 0.00 ATOM 454 CB GLN 60 6.560 10.464 12.625 1.00 0.00 ATOM 455 CG GLN 60 6.382 11.907 13.075 1.00 0.00 ATOM 456 CD GLN 60 7.703 12.598 13.347 1.00 0.00 ATOM 457 OE1 GLN 60 8.768 11.989 13.238 1.00 0.00 ATOM 458 NE2 GLN 60 7.638 13.875 13.706 1.00 0.00 ATOM 459 O GLN 60 6.096 8.566 10.460 1.00 0.00 ATOM 460 C GLN 60 5.635 8.460 11.596 1.00 0.00 ATOM 461 N ARG 61 5.479 7.285 12.207 1.00 0.00 ATOM 462 CA ARG 61 5.953 6.058 11.594 1.00 0.00 ATOM 463 CB ARG 61 5.887 4.902 12.592 1.00 0.00 ATOM 464 CG ARG 61 6.464 3.596 12.067 1.00 0.00 ATOM 465 CD ARG 61 6.413 2.506 13.125 1.00 0.00 ATOM 466 NE ARG 61 6.992 1.252 12.647 1.00 0.00 ATOM 467 CZ ARG 61 7.080 0.144 13.377 1.00 0.00 ATOM 468 NH1 ARG 61 7.623 -0.948 12.857 1.00 0.00 ATOM 469 NH2 ARG 61 6.627 0.132 14.622 1.00 0.00 ATOM 470 O ARG 61 3.861 5.681 10.463 1.00 0.00 ATOM 471 C ARG 61 5.099 5.698 10.383 1.00 0.00 ATOM 472 N VAL 62 5.791 5.413 9.280 1.00 0.00 ATOM 473 CA VAL 62 5.151 5.199 7.980 1.00 0.00 ATOM 474 CB VAL 62 5.305 6.429 7.067 1.00 0.00 ATOM 475 CG1 VAL 62 4.614 7.637 7.679 1.00 0.00 ATOM 476 CG2 VAL 62 6.775 6.764 6.868 1.00 0.00 ATOM 477 O VAL 62 6.833 3.529 7.502 1.00 0.00 ATOM 478 C VAL 62 5.727 4.017 7.210 1.00 0.00 ATOM 479 N ALA 63 4.960 3.564 6.214 1.00 0.00 ATOM 480 CA ALA 63 5.377 2.525 5.292 1.00 0.00 ATOM 481 CB ALA 63 4.729 1.200 5.659 1.00 0.00 ATOM 482 O ALA 63 3.884 3.555 3.720 1.00 0.00 ATOM 483 C ALA 63 4.943 2.944 3.895 1.00 0.00 ATOM 484 N MET 64 5.774 2.653 2.909 1.00 0.00 ATOM 485 CA MET 64 5.497 3.055 1.533 1.00 0.00 ATOM 486 CB MET 64 6.280 4.321 1.178 1.00 0.00 ATOM 487 CG MET 64 6.070 4.799 -0.250 1.00 0.00 ATOM 488 SD MET 64 6.914 6.356 -0.593 1.00 0.00 ATOM 489 CE MET 64 8.616 5.807 -0.678 1.00 0.00 ATOM 490 O MET 64 7.034 1.426 0.769 1.00 0.00 ATOM 491 C MET 64 5.918 1.918 0.616 1.00 0.00 ATOM 492 N THR 65 5.054 1.503 -0.320 1.00 0.00 ATOM 493 CA THR 65 5.453 0.527 -1.315 1.00 0.00 ATOM 494 CB THR 65 4.776 -0.835 -1.073 1.00 0.00 ATOM 495 CG2 THR 65 5.104 -1.353 0.319 1.00 0.00 ATOM 496 OG1 THR 65 3.355 -0.694 -1.194 1.00 0.00 ATOM 497 O THR 65 4.265 1.870 -2.938 1.00 0.00 ATOM 498 C THR 65 5.087 0.958 -2.726 1.00 0.00 ATOM 499 N ALA 66 5.746 0.334 -3.689 1.00 0.00 ATOM 500 CA ALA 66 5.495 0.606 -5.086 1.00 0.00 ATOM 501 CB ALA 66 6.324 1.794 -5.552 1.00 0.00 ATOM 502 O ALA 66 6.651 -1.496 -5.380 1.00 0.00 ATOM 503 C ALA 66 5.884 -0.647 -5.873 1.00 0.00 ATOM 507 N GLU 69 5.584 -4.544 -12.507 1.00 0.00 ATOM 508 CA GLU 69 5.873 -5.769 -13.263 1.00 0.00 ATOM 509 CB GLU 69 6.818 -5.468 -14.429 1.00 0.00 ATOM 510 CG GLU 69 6.240 -4.524 -15.468 1.00 0.00 ATOM 511 CD GLU 69 7.235 -4.176 -16.558 1.00 0.00 ATOM 512 OE1 GLU 69 8.384 -4.660 -16.489 1.00 0.00 ATOM 513 OE2 GLU 69 6.866 -3.422 -17.483 1.00 0.00 ATOM 514 O GLU 69 7.640 -7.313 -12.768 1.00 0.00 ATOM 515 C GLU 69 6.539 -6.884 -12.450 1.00 0.00 ATOM 516 N GLU 70 5.861 -7.357 -11.409 1.00 0.00 ATOM 517 CA GLU 70 6.407 -8.416 -10.561 1.00 0.00 ATOM 518 CB GLU 70 7.009 -9.531 -11.420 1.00 0.00 ATOM 519 CG GLU 70 5.994 -10.274 -12.274 1.00 0.00 ATOM 520 CD GLU 70 6.628 -11.356 -13.122 1.00 0.00 ATOM 521 OE1 GLU 70 7.866 -11.512 -13.061 1.00 0.00 ATOM 522 OE2 GLU 70 5.888 -12.050 -13.852 1.00 0.00 ATOM 523 O GLU 70 7.843 -8.682 -8.683 1.00 0.00 ATOM 524 C GLU 70 7.506 -7.969 -9.616 1.00 0.00 ATOM 525 N GLN 75 8.065 -6.787 -9.865 1.00 0.00 ATOM 526 CA GLN 75 9.083 -6.192 -8.995 1.00 0.00 ATOM 527 CB GLN 75 10.125 -5.440 -9.825 1.00 0.00 ATOM 528 CG GLN 75 10.941 -6.330 -10.749 1.00 0.00 ATOM 529 CD GLN 75 11.867 -5.538 -11.652 1.00 0.00 ATOM 530 OE1 GLN 75 11.442 -4.999 -12.674 1.00 0.00 ATOM 531 NE2 GLN 75 13.138 -5.467 -11.276 1.00 0.00 ATOM 532 O GLN 75 7.688 -4.327 -8.470 1.00 0.00 ATOM 533 C GLN 75 8.408 -5.213 -8.033 1.00 0.00 ATOM 534 N VAL 76 8.644 -5.370 -6.739 1.00 0.00 ATOM 535 CA VAL 76 8.066 -4.465 -5.754 1.00 0.00 ATOM 536 CB VAL 76 6.932 -5.144 -4.962 1.00 0.00 ATOM 537 CG1 VAL 76 5.796 -5.541 -5.893 1.00 0.00 ATOM 538 CG2 VAL 76 7.442 -6.396 -4.266 1.00 0.00 ATOM 539 O VAL 76 10.122 -4.702 -4.585 1.00 0.00 ATOM 540 C VAL 76 9.125 -4.018 -4.765 1.00 0.00 ATOM 541 N VAL 77 8.905 -2.863 -4.134 1.00 0.00 ATOM 542 CA VAL 77 9.803 -2.341 -3.108 1.00 0.00 ATOM 543 CB VAL 77 10.670 -1.189 -3.652 1.00 0.00 ATOM 544 CG1 VAL 77 11.590 -0.657 -2.562 1.00 0.00 ATOM 545 CG2 VAL 77 11.527 -1.670 -4.813 1.00 0.00 ATOM 546 O VAL 77 7.908 -1.166 -2.232 1.00 0.00 ATOM 547 C VAL 77 8.912 -1.837 -1.972 1.00 0.00 ATOM 548 N ARG 78 9.259 -2.206 -0.748 1.00 0.00 ATOM 549 CA ARG 78 8.535 -1.799 0.430 1.00 0.00 ATOM 550 CB ARG 78 7.917 -3.014 1.126 1.00 0.00 ATOM 551 CG ARG 78 7.105 -2.671 2.364 1.00 0.00 ATOM 552 CD ARG 78 6.484 -3.917 2.977 1.00 0.00 ATOM 553 NE ARG 78 5.717 -3.608 4.182 1.00 0.00 ATOM 554 CZ ARG 78 4.996 -4.498 4.856 1.00 0.00 ATOM 555 NH1 ARG 78 4.331 -4.126 5.941 1.00 0.00 ATOM 556 NH2 ARG 78 4.937 -5.756 4.442 1.00 0.00 ATOM 557 O ARG 78 10.524 -1.677 1.755 1.00 0.00 ATOM 558 C ARG 78 9.497 -1.116 1.372 1.00 0.00 ATOM 559 N VAL 79 9.155 0.117 1.732 1.00 0.00 ATOM 560 CA VAL 79 10.037 0.990 2.481 1.00 0.00 ATOM 561 CB VAL 79 10.243 2.336 1.761 1.00 0.00 ATOM 562 CG1 VAL 79 11.105 3.264 2.604 1.00 0.00 ATOM 563 CG2 VAL 79 10.932 2.124 0.421 1.00 0.00 ATOM 564 O VAL 79 8.190 1.276 3.971 1.00 0.00 ATOM 565 C VAL 79 9.425 1.244 3.822 1.00 0.00 ATOM 566 N GLU 80 10.281 1.399 4.817 1.00 0.00 ATOM 567 CA GLU 80 9.841 1.840 6.119 1.00 0.00 ATOM 568 CB GLU 80 10.257 0.834 7.194 1.00 0.00 ATOM 569 CG GLU 80 9.601 -0.530 7.057 1.00 0.00 ATOM 570 CD GLU 80 9.997 -1.483 8.167 1.00 0.00 ATOM 571 OE1 GLU 80 10.822 -1.090 9.020 1.00 0.00 ATOM 572 OE2 GLU 80 9.486 -2.622 8.184 1.00 0.00 ATOM 573 O GLU 80 11.573 3.466 5.848 1.00 0.00 ATOM 574 C GLU 80 10.502 3.196 6.379 1.00 0.00 ATOM 575 N GLY 81 9.852 4.048 7.168 1.00 0.00 ATOM 576 CA GLY 81 10.407 5.338 7.521 1.00 0.00 ATOM 577 O GLY 81 8.555 5.756 8.987 1.00 0.00 ATOM 578 C GLY 81 9.459 6.227 8.286 1.00 0.00 ATOM 579 N THR 82 9.683 7.531 8.176 1.00 0.00 ATOM 580 CA THR 82 8.835 8.475 8.863 1.00 0.00 ATOM 581 CB THR 82 9.591 9.195 9.994 1.00 0.00 ATOM 582 CG2 THR 82 10.066 8.196 11.038 1.00 0.00 ATOM 583 OG1 THR 82 10.731 9.876 9.452 1.00 0.00 ATOM 584 O THR 82 8.970 9.839 6.924 1.00 0.00 ATOM 585 C THR 82 8.315 9.534 7.913 1.00 0.00 ATOM 589 N PRO 85 4.824 16.230 8.212 1.00 0.00 ATOM 590 CA PRO 85 3.821 17.067 7.552 1.00 0.00 ATOM 591 CB PRO 85 2.666 17.119 8.553 1.00 0.00 ATOM 592 CG PRO 85 2.822 15.879 9.370 1.00 0.00 ATOM 593 CD PRO 85 4.302 15.663 9.520 1.00 0.00 ATOM 594 O PRO 85 4.961 19.043 8.279 1.00 0.00 ATOM 595 C PRO 85 4.488 18.417 7.319 1.00 0.00 ATOM 596 N VAL 86 4.575 18.851 6.062 1.00 0.00 ATOM 597 CA VAL 86 5.277 20.093 5.790 1.00 0.00 ATOM 598 CB VAL 86 6.365 19.903 4.717 1.00 0.00 ATOM 599 CG1 VAL 86 7.042 21.229 4.405 1.00 0.00 ATOM 600 CG2 VAL 86 7.426 18.926 5.201 1.00 0.00 ATOM 601 O VAL 86 3.452 20.951 4.476 1.00 0.00 ATOM 602 C VAL 86 4.345 21.194 5.283 1.00 0.00 ATOM 603 N GLU 87 4.525 22.395 5.827 1.00 0.00 ATOM 604 CA GLU 87 3.667 23.516 5.452 1.00 0.00 ATOM 605 CB GLU 87 2.898 24.032 6.669 1.00 0.00 ATOM 606 CG GLU 87 1.929 23.024 7.266 1.00 0.00 ATOM 607 CD GLU 87 1.162 23.582 8.448 1.00 0.00 ATOM 608 OE1 GLU 87 1.362 24.771 8.778 1.00 0.00 ATOM 609 OE2 GLU 87 0.362 22.831 9.044 1.00 0.00 ATOM 610 O GLU 87 3.953 25.723 4.613 1.00 0.00 ATOM 611 C GLU 87 4.501 24.657 4.889 1.00 0.00 ATOM 612 N ASN 88 5.812 24.425 4.741 1.00 0.00 ATOM 613 CA ASN 88 6.771 25.383 4.171 1.00 0.00 ATOM 614 CB ASN 88 8.116 24.703 3.907 1.00 0.00 ATOM 615 CG ASN 88 9.201 25.686 3.513 1.00 0.00 ATOM 616 ND2 ASN 88 10.453 25.273 3.657 1.00 0.00 ATOM 617 OD1 ASN 88 8.911 26.803 3.085 1.00 0.00 ATOM 618 O ASN 88 6.233 25.276 1.821 1.00 0.00 ATOM 619 C ASN 88 6.282 25.974 2.836 1.00 0.00 ATOM 620 N ASP 89 5.932 27.264 2.848 1.00 0.00 ATOM 621 CA ASP 89 5.425 27.969 1.650 1.00 0.00 ATOM 622 CB ASP 89 5.392 29.480 1.890 1.00 0.00 ATOM 623 CG ASP 89 4.284 29.894 2.838 1.00 0.00 ATOM 624 OD1 ASP 89 3.406 29.053 3.130 1.00 0.00 ATOM 625 OD2 ASP 89 4.292 31.059 3.288 1.00 0.00 ATOM 626 O ASP 89 5.737 27.606 -0.710 1.00 0.00 ATOM 627 C ASP 89 6.272 27.742 0.392 1.00 0.00 ATOM 628 N TYR 90 7.588 27.724 0.560 1.00 0.00 ATOM 629 CA TYR 90 8.527 27.576 -0.553 1.00 0.00 ATOM 630 CB TYR 90 9.967 27.741 -0.064 1.00 0.00 ATOM 631 CG TYR 90 11.005 27.602 -1.157 1.00 0.00 ATOM 632 CD1 TYR 90 11.240 28.640 -2.050 1.00 0.00 ATOM 633 CD2 TYR 90 11.743 26.434 -1.291 1.00 0.00 ATOM 634 CE1 TYR 90 12.186 28.520 -3.051 1.00 0.00 ATOM 635 CE2 TYR 90 12.692 26.297 -2.287 1.00 0.00 ATOM 636 CZ TYR 90 12.909 27.354 -3.169 1.00 0.00 ATOM 637 OH TYR 90 13.851 27.234 -4.165 1.00 0.00 ATOM 638 O TYR 90 8.557 26.072 -2.457 1.00 0.00 ATOM 639 C TYR 90 8.426 26.199 -1.227 1.00 0.00 ATOM 640 N LEU 91 8.242 25.174 -0.402 1.00 0.00 ATOM 641 CA LEU 91 8.115 23.822 -0.901 1.00 0.00 ATOM 642 CB LEU 91 8.333 22.812 0.227 1.00 0.00 ATOM 643 CG LEU 91 9.736 22.765 0.833 1.00 0.00 ATOM 644 CD1 LEU 91 9.778 21.817 2.022 1.00 0.00 ATOM 645 CD2 LEU 91 10.751 22.283 -0.193 1.00 0.00 ATOM 646 O LEU 91 6.607 23.041 -2.542 1.00 0.00 ATOM 647 C LEU 91 6.724 23.625 -1.478 1.00 0.00 ATOM 648 N LYS 92 5.691 24.141 -0.798 1.00 0.00 ATOM 649 CA LYS 92 4.315 24.143 -1.325 1.00 0.00 ATOM 650 CB LYS 92 3.407 25.011 -0.451 1.00 0.00 ATOM 651 CG LYS 92 3.105 24.414 0.915 1.00 0.00 ATOM 652 CD LYS 92 2.183 25.315 1.719 1.00 0.00 ATOM 653 CE LYS 92 1.885 24.721 3.086 1.00 0.00 ATOM 654 NZ LYS 92 1.022 25.616 3.905 1.00 0.00 ATOM 655 O LYS 92 3.519 24.122 -3.603 1.00 0.00 ATOM 656 C LYS 92 4.225 24.685 -2.742 1.00 0.00 ATOM 657 N THR 93 4.942 25.771 -3.006 1.00 0.00 ATOM 658 CA THR 93 4.895 26.387 -4.328 1.00 0.00 ATOM 659 CB THR 93 5.344 27.859 -4.282 1.00 0.00 ATOM 660 CG2 THR 93 5.282 28.479 -5.669 1.00 0.00 ATOM 661 OG1 THR 93 4.482 28.597 -3.407 1.00 0.00 ATOM 662 O THR 93 5.441 25.541 -6.491 1.00 0.00 ATOM 663 C THR 93 5.801 25.677 -5.331 1.00 0.00 ATOM 664 N VAL 94 6.961 25.200 -4.885 1.00 0.00 ATOM 665 CA VAL 94 7.845 24.415 -5.767 1.00 0.00 ATOM 666 CB VAL 94 9.191 24.108 -5.085 1.00 0.00 ATOM 667 CG1 VAL 94 10.011 23.148 -5.934 1.00 0.00 ATOM 668 CG2 VAL 94 9.996 25.384 -4.891 1.00 0.00 ATOM 669 O VAL 94 7.497 22.582 -7.305 1.00 0.00 ATOM 670 C VAL 94 7.257 23.055 -6.186 1.00 0.00 ATOM 671 N PHE 95 6.471 22.450 -5.302 1.00 0.00 ATOM 672 CA PHE 95 5.958 21.101 -5.562 1.00 0.00 ATOM 673 CB PHE 95 5.953 20.272 -4.274 1.00 0.00 ATOM 674 CG PHE 95 7.323 19.991 -3.729 1.00 0.00 ATOM 675 CD1 PHE 95 7.822 20.719 -2.662 1.00 0.00 ATOM 676 CD2 PHE 95 8.114 19.000 -4.283 1.00 0.00 ATOM 677 CE1 PHE 95 9.083 20.460 -2.160 1.00 0.00 ATOM 678 CE2 PHE 95 9.376 18.742 -3.779 1.00 0.00 ATOM 679 CZ PHE 95 9.861 19.466 -2.724 1.00 0.00 ATOM 680 O PHE 95 3.982 19.997 -6.398 1.00 0.00 ATOM 681 C PHE 95 4.529 21.074 -6.104 1.00 0.00 ATOM 685 N ASN 98 1.470 21.038 -8.438 1.00 0.00 ATOM 686 CA ASN 98 1.187 20.441 -9.744 1.00 0.00 ATOM 687 CB ASN 98 1.091 18.918 -9.626 1.00 0.00 ATOM 688 CG ASN 98 2.435 18.268 -9.365 1.00 0.00 ATOM 689 ND2 ASN 98 2.410 17.051 -8.838 1.00 0.00 ATOM 690 OD1 ASN 98 3.483 18.856 -9.635 1.00 0.00 ATOM 691 O ASN 98 -0.972 21.310 -9.397 1.00 0.00 ATOM 692 C ASN 98 -0.125 21.006 -10.217 1.00 0.00 ATOM 693 N PRO 99 -0.315 21.108 -11.532 1.00 0.00 ATOM 694 CA PRO 99 -1.567 21.629 -12.078 1.00 0.00 ATOM 695 CB PRO 99 -1.414 21.456 -13.590 1.00 0.00 ATOM 696 CG PRO 99 0.059 21.519 -13.825 1.00 0.00 ATOM 697 CD PRO 99 0.696 20.805 -12.666 1.00 0.00 ATOM 698 O PRO 99 -3.823 21.504 -11.351 1.00 0.00 ATOM 699 C PRO 99 -2.786 20.890 -11.582 1.00 0.00 ATOM 700 N TYR 100 -2.671 19.569 -11.432 1.00 0.00 ATOM 701 CA TYR 100 -3.828 18.762 -11.057 1.00 0.00 ATOM 702 CB TYR 100 -3.517 17.273 -11.216 1.00 0.00 ATOM 703 CG TYR 100 -3.396 16.821 -12.653 1.00 0.00 ATOM 704 CD1 TYR 100 -2.150 16.643 -13.240 1.00 0.00 ATOM 705 CD2 TYR 100 -4.529 16.574 -13.418 1.00 0.00 ATOM 706 CE1 TYR 100 -2.031 16.231 -14.555 1.00 0.00 ATOM 707 CE2 TYR 100 -4.429 16.161 -14.734 1.00 0.00 ATOM 708 CZ TYR 100 -3.165 15.990 -15.299 1.00 0.00 ATOM 709 OH TYR 100 -3.049 15.579 -16.606 1.00 0.00 ATOM 710 O TYR 100 -5.335 18.588 -9.168 1.00 0.00 ATOM 711 C TYR 100 -4.241 19.004 -9.596 1.00 0.00 ATOM 712 N TYR 101 -3.390 19.710 -8.852 1.00 0.00 ATOM 713 CA TYR 101 -3.723 20.162 -7.476 1.00 0.00 ATOM 714 CB TYR 101 -2.528 20.878 -6.844 1.00 0.00 ATOM 715 CG TYR 101 -2.235 22.233 -7.450 1.00 0.00 ATOM 716 CD1 TYR 101 -2.834 23.380 -6.949 1.00 0.00 ATOM 717 CD2 TYR 101 -1.360 22.357 -8.520 1.00 0.00 ATOM 718 CE1 TYR 101 -2.572 24.622 -7.496 1.00 0.00 ATOM 719 CE2 TYR 101 -1.086 23.590 -9.081 1.00 0.00 ATOM 720 CZ TYR 101 -1.700 24.727 -8.558 1.00 0.00 ATOM 721 OH TYR 101 -1.437 25.962 -9.105 1.00 0.00 ATOM 722 O TYR 101 -5.503 21.307 -6.348 1.00 0.00 ATOM 723 C TYR 101 -4.902 21.134 -7.413 1.00 0.00 ATOM 724 N GLN 102 -5.227 21.779 -8.537 1.00 0.00 ATOM 725 CA GLN 102 -6.287 22.796 -8.529 1.00 0.00 ATOM 726 CB GLN 102 -6.446 23.415 -9.920 1.00 0.00 ATOM 727 CG GLN 102 -5.290 24.308 -10.338 1.00 0.00 ATOM 728 CD GLN 102 -5.428 24.812 -11.762 1.00 0.00 ATOM 729 OE1 GLN 102 -6.348 24.423 -12.481 1.00 0.00 ATOM 730 NE2 GLN 102 -4.511 25.680 -12.171 1.00 0.00 ATOM 731 O GLN 102 -8.351 22.789 -7.331 1.00 0.00 ATOM 732 C GLN 102 -7.629 22.203 -8.125 1.00 0.00 ATOM 733 N HIS 103 -7.944 21.040 -8.684 1.00 0.00 ATOM 734 CA HIS 103 -9.136 20.268 -8.319 1.00 0.00 ATOM 735 CB HIS 103 -9.116 18.899 -9.002 1.00 0.00 ATOM 736 CG HIS 103 -10.360 18.095 -8.782 1.00 0.00 ATOM 737 CD2 HIS 103 -10.709 16.914 -8.007 1.00 0.00 ATOM 738 ND1 HIS 103 -11.562 18.405 -9.380 1.00 0.00 ATOM 739 CE1 HIS 103 -12.488 17.509 -8.993 1.00 0.00 ATOM 740 NE2 HIS 103 -11.982 16.611 -8.170 1.00 0.00 ATOM 741 O HIS 103 -10.409 19.775 -6.354 1.00 0.00 ATOM 742 C HIS 103 -9.287 19.994 -6.818 1.00 0.00 ATOM 743 N ILE 104 -8.163 19.980 -6.086 1.00 0.00 ATOM 744 CA ILE 104 -8.129 19.605 -4.662 1.00 0.00 ATOM 745 CB ILE 104 -7.003 18.595 -4.372 1.00 0.00 ATOM 746 CG1 ILE 104 -7.278 17.270 -5.084 1.00 0.00 ATOM 747 CG2 ILE 104 -6.900 18.327 -2.879 1.00 0.00 ATOM 748 CD1 ILE 104 -6.116 16.303 -5.044 1.00 0.00 ATOM 749 O ILE 104 -8.414 20.790 -2.632 1.00 0.00 ATOM 750 C ILE 104 -7.897 20.778 -3.737 1.00 0.00 ATOM 751 N TYR 105 -7.098 21.751 -4.178 1.00 0.00 ATOM 752 CA TYR 105 -6.781 22.928 -3.379 1.00 0.00 ATOM 753 CB TYR 105 -5.294 22.945 -3.018 1.00 0.00 ATOM 754 CG TYR 105 -4.835 21.722 -2.256 1.00 0.00 ATOM 755 CD1 TYR 105 -4.162 20.692 -2.901 1.00 0.00 ATOM 756 CD2 TYR 105 -5.074 21.604 -0.893 1.00 0.00 ATOM 757 CE1 TYR 105 -3.738 19.572 -2.212 1.00 0.00 ATOM 758 CE2 TYR 105 -4.656 20.491 -0.187 1.00 0.00 ATOM 759 CZ TYR 105 -3.983 19.470 -0.860 1.00 0.00 ATOM 760 OH TYR 105 -3.562 18.356 -0.173 1.00 0.00 ATOM 761 O TYR 105 -6.214 24.796 -4.754 1.00 0.00 ATOM 762 C TYR 105 -7.107 24.193 -4.159 1.00 0.00 ATOM 763 N LYS 106 -8.388 24.618 -4.126 1.00 0.00 ATOM 764 CA LYS 106 -8.877 25.724 -4.973 1.00 0.00 ATOM 765 CB LYS 106 -10.379 25.929 -4.773 1.00 0.00 ATOM 766 CG LYS 106 -11.235 24.779 -5.278 1.00 0.00 ATOM 767 CD LYS 106 -12.715 25.061 -5.075 1.00 0.00 ATOM 768 CE LYS 106 -13.570 23.902 -5.563 1.00 0.00 ATOM 769 NZ LYS 106 -15.022 24.159 -5.356 1.00 0.00 ATOM 770 O LYS 106 -8.404 28.024 -5.508 1.00 0.00 ATOM 771 C LYS 106 -8.226 27.093 -4.707 1.00 0.00 ATOM 772 N ASP 107 -5.027 27.618 -4.685 1.00 0.00 ATOM 773 CA ASP 107 -3.687 27.603 -5.281 1.00 0.00 ATOM 774 CB ASP 107 -3.320 28.992 -5.808 1.00 0.00 ATOM 775 CG ASP 107 -3.178 30.017 -4.702 1.00 0.00 ATOM 776 OD1 ASP 107 -3.215 29.621 -3.517 1.00 0.00 ATOM 777 OD2 ASP 107 -3.029 31.216 -5.017 1.00 0.00 ATOM 778 O ASP 107 -2.883 26.721 -3.201 1.00 0.00 ATOM 779 C ASP 107 -2.587 27.198 -4.298 1.00 0.00 ATOM 780 N GLU 108 -1.314 27.388 -4.690 1.00 0.00 ATOM 781 CA GLU 108 -0.137 26.961 -3.923 1.00 0.00 ATOM 782 CB GLU 108 1.149 27.317 -4.672 1.00 0.00 ATOM 783 CG GLU 108 1.427 28.810 -4.753 1.00 0.00 ATOM 784 CD GLU 108 0.689 29.478 -5.896 1.00 0.00 ATOM 785 OE1 GLU 108 -0.159 28.812 -6.526 1.00 0.00 ATOM 786 OE2 GLU 108 0.961 30.667 -6.163 1.00 0.00 ATOM 787 O GLU 108 0.840 27.216 -1.738 1.00 0.00 ATOM 788 C GLU 108 -0.026 27.599 -2.544 1.00 0.00 ATOM 789 N SER 109 -0.930 28.530 -2.276 1.00 0.00 ATOM 790 CA SER 109 -0.944 29.295 -1.050 1.00 0.00 ATOM 791 CB SER 109 -1.132 30.784 -1.349 1.00 0.00 ATOM 792 OG SER 109 -0.065 31.284 -2.137 1.00 0.00 ATOM 793 O SER 109 -2.184 29.227 1.043 1.00 0.00 ATOM 794 C SER 109 -2.101 28.831 -0.135 1.00 0.00 ATOM 795 N SER 110 -2.969 27.969 -0.682 1.00 0.00 ATOM 796 CA SER 110 -4.140 27.411 0.009 1.00 0.00 ATOM 797 CB SER 110 -4.766 26.286 -0.818 1.00 0.00 ATOM 798 OG SER 110 -5.866 25.704 -0.140 1.00 0.00 ATOM 799 O SER 110 -2.829 26.005 1.465 1.00 0.00 ATOM 800 C SER 110 -3.749 26.838 1.379 1.00 0.00 ATOM 801 N ASP 111 -4.451 27.268 2.451 1.00 0.00 ATOM 802 CA ASP 111 -4.113 26.816 3.812 1.00 0.00 ATOM 803 CB ASP 111 -4.870 27.641 4.855 1.00 0.00 ATOM 804 CG ASP 111 -4.334 29.054 4.982 1.00 0.00 ATOM 805 OD1 ASP 111 -3.235 29.321 4.454 1.00 0.00 ATOM 806 OD2 ASP 111 -5.014 29.892 5.610 1.00 0.00 ATOM 807 O ASP 111 -3.984 24.697 4.900 1.00 0.00 ATOM 808 C ASP 111 -4.484 25.356 3.993 1.00 0.00 ATOM 809 N THR 112 -5.373 24.863 3.138 1.00 0.00 ATOM 810 CA THR 112 -5.757 23.460 3.147 1.00 0.00 ATOM 811 CB THR 112 -7.067 23.230 2.370 1.00 0.00 ATOM 812 CG2 THR 112 -8.199 24.038 2.984 1.00 0.00 ATOM 813 OG1 THR 112 -6.894 23.633 1.007 1.00 0.00 ATOM 814 O THR 112 -4.904 21.309 2.586 1.00 0.00 ATOM 815 C THR 112 -4.729 22.528 2.519 1.00 0.00 ATOM 816 N MET 113 -3.664 23.096 1.936 1.00 0.00 ATOM 817 CA MET 113 -2.667 22.336 1.144 1.00 0.00 ATOM 818 CB MET 113 -2.266 23.120 -0.107 1.00 0.00 ATOM 819 CG MET 113 -1.242 22.414 -0.980 1.00 0.00 ATOM 820 SD MET 113 -0.834 23.346 -2.469 1.00 0.00 ATOM 821 CE MET 113 0.330 22.236 -3.256 1.00 0.00 ATOM 822 O MET 113 -0.662 22.949 2.355 1.00 0.00 ATOM 823 C MET 113 -1.381 22.046 1.935 1.00 0.00 ATOM 824 N GLN 114 -1.107 20.752 2.114 1.00 0.00 ATOM 825 CA GLN 114 -0.018 20.269 2.951 1.00 0.00 ATOM 826 CB GLN 114 -0.569 19.593 4.209 1.00 0.00 ATOM 827 CG GLN 114 -1.427 20.499 5.075 1.00 0.00 ATOM 828 CD GLN 114 -0.619 21.580 5.767 1.00 0.00 ATOM 829 OE1 GLN 114 0.506 21.341 6.206 1.00 0.00 ATOM 830 NE2 GLN 114 -1.191 22.773 5.867 1.00 0.00 ATOM 831 O GLN 114 0.259 18.545 1.304 1.00 0.00 ATOM 832 C GLN 114 0.812 19.256 2.162 1.00 0.00 ATOM 833 N VAL 115 2.120 19.226 2.408 1.00 0.00 ATOM 834 CA VAL 115 2.989 18.204 1.828 1.00 0.00 ATOM 835 CB VAL 115 4.306 18.810 1.310 1.00 0.00 ATOM 836 CG1 VAL 115 5.232 17.718 0.797 1.00 0.00 ATOM 837 CG2 VAL 115 4.034 19.784 0.172 1.00 0.00 ATOM 838 O VAL 115 3.435 17.379 4.059 1.00 0.00 ATOM 839 C VAL 115 3.359 17.122 2.849 1.00 0.00 ATOM 840 N PHE 116 3.561 15.909 2.341 1.00 0.00 ATOM 841 CA PHE 116 4.042 14.805 3.176 1.00 0.00 ATOM 842 CB PHE 116 3.088 13.613 3.090 1.00 0.00 ATOM 843 CG PHE 116 3.489 12.453 3.955 1.00 0.00 ATOM 844 CD1 PHE 116 3.323 12.504 5.327 1.00 0.00 ATOM 845 CD2 PHE 116 4.031 11.308 3.395 1.00 0.00 ATOM 846 CE1 PHE 116 3.692 11.436 6.124 1.00 0.00 ATOM 847 CE2 PHE 116 4.400 10.240 4.192 1.00 0.00 ATOM 848 CZ PHE 116 4.232 10.300 5.550 1.00 0.00 ATOM 849 O PHE 116 5.587 13.961 1.533 1.00 0.00 ATOM 850 C PHE 116 5.416 14.388 2.683 1.00 0.00 ATOM 851 N GLN 117 6.411 14.558 3.549 1.00 0.00 ATOM 852 CA GLN 117 7.774 14.156 3.231 1.00 0.00 ATOM 853 CB GLN 117 8.772 15.196 3.744 1.00 0.00 ATOM 854 CG GLN 117 10.220 14.891 3.394 1.00 0.00 ATOM 855 CD GLN 117 11.170 15.989 3.834 1.00 0.00 ATOM 856 OE1 GLN 117 10.739 17.075 4.225 1.00 0.00 ATOM 857 NE2 GLN 117 12.466 15.709 3.770 1.00 0.00 ATOM 858 O GLN 117 8.122 12.750 5.120 1.00 0.00 ATOM 859 C GLN 117 8.047 12.815 3.901 1.00 0.00 ATOM 860 N ILE 118 8.204 11.760 3.106 1.00 0.00 ATOM 861 CA ILE 118 8.535 10.433 3.621 1.00 0.00 ATOM 862 CB ILE 118 7.852 9.323 2.800 1.00 0.00 ATOM 863 CG1 ILE 118 6.331 9.460 2.880 1.00 0.00 ATOM 864 CG2 ILE 118 8.242 7.952 3.331 1.00 0.00 ATOM 865 CD1 ILE 118 5.586 8.564 1.915 1.00 0.00 ATOM 866 O ILE 118 10.626 10.374 2.474 1.00 0.00 ATOM 867 C ILE 118 10.037 10.240 3.549 1.00 0.00 ATOM 868 N TYR 119 10.648 9.904 4.682 1.00 0.00 ATOM 869 CA TYR 119 12.081 9.639 4.762 1.00 0.00 ATOM 870 CB TYR 119 12.734 10.534 5.818 1.00 0.00 ATOM 871 CG TYR 119 14.223 10.315 5.970 1.00 0.00 ATOM 872 CD1 TYR 119 15.117 10.830 5.041 1.00 0.00 ATOM 873 CD2 TYR 119 14.729 9.593 7.043 1.00 0.00 ATOM 874 CE1 TYR 119 16.478 10.636 5.173 1.00 0.00 ATOM 875 CE2 TYR 119 16.087 9.388 7.192 1.00 0.00 ATOM 876 CZ TYR 119 16.961 9.917 6.245 1.00 0.00 ATOM 877 OH TYR 119 18.318 9.720 6.379 1.00 0.00 ATOM 878 O TYR 119 11.775 7.745 6.181 1.00 0.00 ATOM 879 C TYR 119 12.282 8.188 5.140 1.00 0.00 ATOM 880 N ALA 120 13.007 7.466 4.282 1.00 0.00 ATOM 881 CA ALA 120 13.124 6.010 4.390 1.00 0.00 ATOM 882 CB ALA 120 13.429 5.400 3.031 1.00 0.00 ATOM 883 O ALA 120 15.264 6.303 5.391 1.00 0.00 ATOM 884 C ALA 120 14.242 5.626 5.346 1.00 0.00 ATOM 888 N GLY 123 14.604 -0.763 3.617 1.00 0.00 ATOM 889 CA GLY 123 13.939 -1.274 2.425 1.00 0.00 ATOM 890 O GLY 123 14.690 -3.517 2.991 1.00 0.00 ATOM 891 C GLY 123 13.833 -2.798 2.425 1.00 0.00 ATOM 892 N PHE 124 12.767 -3.266 1.792 1.00 0.00 ATOM 893 CA PHE 124 12.552 -4.650 1.480 1.00 0.00 ATOM 894 CB PHE 124 11.327 -5.183 2.226 1.00 0.00 ATOM 895 CG PHE 124 11.441 -5.096 3.720 1.00 0.00 ATOM 896 CD1 PHE 124 10.868 -4.044 4.414 1.00 0.00 ATOM 897 CD2 PHE 124 12.121 -6.069 4.434 1.00 0.00 ATOM 898 CE1 PHE 124 10.975 -3.965 5.789 1.00 0.00 ATOM 899 CE2 PHE 124 12.227 -5.989 5.810 1.00 0.00 ATOM 900 CZ PHE 124 11.657 -4.944 6.487 1.00 0.00 ATOM 901 O PHE 124 11.369 -4.102 -0.553 1.00 0.00 ATOM 902 C PHE 124 12.340 -4.678 -0.026 1.00 0.00 ATOM 906 N SER 127 13.074 -7.889 -6.175 1.00 0.00 ATOM 907 CA SER 127 13.491 -7.625 -7.532 1.00 0.00 ATOM 908 CB SER 127 14.425 -6.415 -7.579 1.00 0.00 ATOM 909 OG SER 127 14.900 -6.188 -8.895 1.00 0.00 ATOM 910 O SER 127 14.892 -9.529 -7.204 1.00 0.00 ATOM 911 C SER 127 14.208 -8.872 -7.998 1.00 0.00 ATOM 912 N LEU 128 14.020 -9.198 -9.277 1.00 0.00 ATOM 913 CA LEU 128 14.504 -10.455 -9.880 1.00 0.00 ATOM 914 CB LEU 128 16.031 -10.445 -9.986 1.00 0.00 ATOM 915 CG LEU 128 16.648 -9.296 -10.786 1.00 0.00 ATOM 916 CD1 LEU 128 18.167 -9.371 -10.751 1.00 0.00 ATOM 917 CD2 LEU 128 16.202 -9.351 -12.238 1.00 0.00 ATOM 918 O LEU 128 14.938 -12.570 -8.776 1.00 0.00 ATOM 919 C LEU 128 14.109 -11.685 -9.061 1.00 0.00 ATOM 920 N THR 129 12.824 -11.728 -8.695 1.00 0.00 ATOM 921 CA THR 129 12.259 -12.784 -7.848 1.00 0.00 ATOM 922 CB THR 129 12.079 -14.099 -8.630 1.00 0.00 ATOM 923 CG2 THR 129 11.126 -13.897 -9.798 1.00 0.00 ATOM 924 OG1 THR 129 13.347 -14.535 -9.134 1.00 0.00 ATOM 925 O THR 129 13.111 -14.282 -6.170 1.00 0.00 ATOM 926 C THR 129 13.111 -13.129 -6.641 1.00 0.00 ATOM 927 N GLN 130 13.847 -12.132 -6.148 1.00 0.00 ATOM 928 CA GLN 130 14.745 -12.292 -5.022 1.00 0.00 ATOM 929 CB GLN 130 16.195 -12.073 -5.456 1.00 0.00 ATOM 930 CG GLN 130 16.708 -13.107 -6.446 1.00 0.00 ATOM 931 CD GLN 130 18.153 -12.869 -6.842 1.00 0.00 ATOM 932 OE1 GLN 130 18.795 -11.941 -6.351 1.00 0.00 ATOM 933 NE2 GLN 130 18.667 -13.710 -7.733 1.00 0.00 ATOM 934 O GLN 130 14.288 -10.081 -4.213 1.00 0.00 ATOM 935 C GLN 130 14.400 -11.278 -3.941 1.00 0.00 ATOM 936 N GLY 131 14.240 -11.767 -2.719 1.00 0.00 ATOM 937 CA GLY 131 13.955 -10.921 -1.574 1.00 0.00 ATOM 938 O GLY 131 16.049 -11.294 -0.443 1.00 0.00 ATOM 939 C GLY 131 15.213 -10.473 -0.813 1.00 0.00 ATOM 940 N HIS 132 15.333 -9.162 -0.591 1.00 0.00 ATOM 941 CA HIS 132 16.423 -8.581 0.216 1.00 0.00 ATOM 942 CB HIS 132 17.492 -7.967 -0.690 1.00 0.00 ATOM 943 CG HIS 132 18.119 -8.947 -1.633 1.00 0.00 ATOM 944 CD2 HIS 132 17.907 -9.337 -3.019 1.00 0.00 ATOM 945 ND1 HIS 132 19.170 -9.761 -1.269 1.00 0.00 ATOM 946 CE1 HIS 132 19.516 -10.526 -2.320 1.00 0.00 ATOM 947 NE2 HIS 132 18.761 -10.277 -3.373 1.00 0.00 ATOM 948 O HIS 132 15.127 -6.630 0.735 1.00 0.00 ATOM 949 C HIS 132 15.911 -7.480 1.147 1.00 0.00 ATOM 950 N LYS 133 16.341 -7.528 2.404 1.00 0.00 ATOM 951 CA LYS 133 15.829 -6.647 3.434 1.00 0.00 ATOM 952 CB LYS 133 15.078 -7.448 4.499 1.00 0.00 ATOM 953 CG LYS 133 13.852 -8.179 3.978 1.00 0.00 ATOM 954 CD LYS 133 13.199 -9.011 5.068 1.00 0.00 ATOM 955 CE LYS 133 11.927 -9.679 4.566 1.00 0.00 ATOM 956 NZ LYS 133 12.200 -10.615 3.442 1.00 0.00 ATOM 957 O LYS 133 17.686 -6.478 4.964 1.00 0.00 ATOM 958 C LYS 133 16.991 -5.913 4.091 1.00 0.00 ATOM 959 N TYR 134 17.181 -4.656 3.679 1.00 0.00 ATOM 960 CA TYR 134 18.332 -3.825 4.079 1.00 0.00 ATOM 961 CB TYR 134 19.106 -3.353 2.847 1.00 0.00 ATOM 962 CG TYR 134 19.754 -4.473 2.064 1.00 0.00 ATOM 963 CD1 TYR 134 19.081 -5.085 1.013 1.00 0.00 ATOM 964 CD2 TYR 134 21.032 -4.915 2.377 1.00 0.00 ATOM 965 CE1 TYR 134 19.664 -6.110 0.291 1.00 0.00 ATOM 966 CE2 TYR 134 21.631 -5.937 1.666 1.00 0.00 ATOM 967 CZ TYR 134 20.934 -6.534 0.616 1.00 0.00 ATOM 968 OH TYR 134 21.515 -7.555 -0.102 1.00 0.00 ATOM 969 O TYR 134 16.976 -1.899 4.539 1.00 0.00 ATOM 970 C TYR 134 17.962 -2.563 4.863 1.00 0.00 ATOM 971 N ILE 135 18.796 -2.193 5.840 1.00 0.00 ATOM 972 CA ILE 135 18.752 -0.850 6.445 1.00 0.00 ATOM 973 CB ILE 135 19.667 -0.758 7.680 1.00 0.00 ATOM 974 CG1 ILE 135 19.277 -1.814 8.714 1.00 0.00 ATOM 975 CG2 ILE 135 19.554 0.615 8.326 1.00 0.00 ATOM 976 CD1 ILE 135 20.225 -1.900 9.890 1.00 0.00 ATOM 977 O ILE 135 20.103 -0.067 4.634 1.00 0.00 ATOM 978 C ILE 135 19.218 0.208 5.423 1.00 0.00 TER END