PFRMAT TS TARGET T0353 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 METHOD Model 1 is try16-opt2. It is almost identical to try3, which was an METHOD automatic run that ended up making only relatively minor adjustments METHOD to 1jg5A. 1jg5 is a pentamer, but in this case undertaker stayed very METHOD close to the template so pentamer optimization was deemed unnecessary METHOD to improve the monomer structure. METHOD METHOD Model 2 is try17-opt2, a slight re-optimization of try6. Try6 was an METHOD automatic run but with two templates in the d.205.1 SCOP superfamily METHOD removed (1jg5A is in d.205.1). It seems to be mostly fragment packing. METHOD METHOD Model 3 is try19-opt2.gromacs0.repack-nonPC, based in turn on METHOD try13. Here we have tried to make the predicted third strand METHOD anti-parallel to the first part of the first strand. The METHOD undertaker-optimized model try19-opt2 was then reoptimized with METHOD gromacs and the sidechains were repacked by rosetta. This is METHOD rosetta's favorite of the backbones for which it repacked sidechains. METHOD METHOD Model 4 is try15-opt2, based on a version of try10 edited in METHOD ProteinShop to move one of the helices to a more sensible METHOD position. The second helix is supposed to be a loop, and the final METHOD helix was an anti-parallel strand in try10, but undertaker likes METHOD helices. Try10 was again an attempt to make the third strand METHOD anti-parallel to first part of the first strand. METHOD METHOD Model 5 is try9-opt2. This was an attempt to make the third strand METHOD parallel to the first part of the first strand. METHOD REMARK 6 REMARK 6 T0353 model 4 Fri Jul 21 08:12:47 2006 MODEL 4 PARENT 1a26 1a99_A 1es6_A 1ffk_I 1iqt_A REMARK 7 REMARK 7 ALLPARENTS 1a26 1a99_A 1es6_A 1ffk_I 1iqt_A 1is8_K 1j0o_A REMARK 7 ALLPARENTS 1jg5_A 1jq4_A 1jzu_A 1mdv_A 1mg2_D 1nrf_A 1r3e_A REMARK 7 ALLPARENTS 1sgv_A 1t0h_B 1t3l_A 1u7i_A 1wr5_A 1wtb_A 1xgs_A REMARK 7 ALLPARENTS 1y8q_A 1y9k_A 1yem_A 2cdv 2cth_A 2cyb_A 2drp_A REMARK 7 ALLPARENTS 2fao_A 2gtq_A 2mta_C ATOM 1 N MET 1 -0.040 -16.802 3.773 1.00 0.00 ATOM 2 CA MET 1 0.674 -16.090 4.870 1.00 0.00 ATOM 3 CB MET 1 1.290 -14.788 4.351 1.00 0.00 ATOM 4 CG MET 1 2.109 -14.035 5.386 1.00 0.00 ATOM 5 SD MET 1 2.926 -12.581 4.702 1.00 0.00 ATOM 6 CE MET 1 3.742 -11.933 6.160 1.00 0.00 ATOM 7 O MET 1 -1.329 -15.210 5.790 1.00 0.00 ATOM 8 C MET 1 -0.255 -15.732 6.019 1.00 0.00 ATOM 9 N GLN 2 0.163 -16.033 7.214 1.00 0.00 ATOM 10 CA GLN 2 -0.627 -15.698 8.408 1.00 0.00 ATOM 11 CB GLN 2 -1.044 -17.015 9.158 1.00 0.00 ATOM 12 CG GLN 2 -1.374 -18.196 8.269 1.00 0.00 ATOM 13 CD GLN 2 -1.267 -19.558 8.976 1.00 0.00 ATOM 14 OE1 GLN 2 -1.672 -20.582 8.402 1.00 0.00 ATOM 15 NE2 GLN 2 -0.717 -19.583 10.215 1.00 0.00 ATOM 16 O GLN 2 0.895 -14.719 10.009 1.00 0.00 ATOM 17 C GLN 2 -0.023 -14.531 9.208 1.00 0.00 ATOM 18 N ILE 3 -0.596 -13.334 9.051 1.00 0.00 ATOM 19 CA ILE 3 -0.003 -12.130 9.632 1.00 0.00 ATOM 20 CB ILE 3 -0.037 -10.960 8.631 1.00 0.00 ATOM 21 CG1 ILE 3 0.763 -11.309 7.375 1.00 0.00 ATOM 22 CG2 ILE 3 0.563 -9.710 9.254 1.00 0.00 ATOM 23 CD1 ILE 3 0.595 -10.314 6.247 1.00 0.00 ATOM 24 O ILE 3 -1.947 -11.598 10.917 1.00 0.00 ATOM 25 C ILE 3 -0.720 -11.685 10.894 1.00 0.00 ATOM 26 N HIS 4 0.035 -11.377 11.938 1.00 0.00 ATOM 27 CA HIS 4 -0.547 -10.935 13.195 1.00 0.00 ATOM 28 CB HIS 4 0.337 -11.335 14.377 1.00 0.00 ATOM 29 CG HIS 4 0.414 -12.813 14.603 1.00 0.00 ATOM 30 CD2 HIS 4 1.439 -13.834 14.453 1.00 0.00 ATOM 31 ND1 HIS 4 -0.656 -13.552 15.062 1.00 0.00 ATOM 32 CE1 HIS 4 -0.286 -14.840 15.163 1.00 0.00 ATOM 33 NE2 HIS 4 0.970 -15.018 14.798 1.00 0.00 ATOM 34 O HIS 4 -1.697 -8.893 13.726 1.00 0.00 ATOM 35 C HIS 4 -0.711 -9.420 13.209 1.00 0.00 ATOM 36 N VAL 5 0.233 -8.737 12.568 1.00 0.00 ATOM 37 CA VAL 5 0.268 -7.286 12.525 1.00 0.00 ATOM 38 CB VAL 5 1.232 -6.692 13.604 1.00 0.00 ATOM 39 CG1 VAL 5 0.673 -6.960 14.981 1.00 0.00 ATOM 40 CG2 VAL 5 2.650 -7.252 13.466 1.00 0.00 ATOM 41 O VAL 5 1.666 -7.417 10.589 1.00 0.00 ATOM 42 C VAL 5 0.739 -6.842 11.146 1.00 0.00 ATOM 43 N TYR 6 0.081 -5.823 10.606 1.00 0.00 ATOM 44 CA TYR 6 0.394 -5.270 9.297 1.00 0.00 ATOM 45 CB TYR 6 -0.481 -5.913 8.219 1.00 0.00 ATOM 46 CG TYR 6 -0.070 -5.565 6.806 1.00 0.00 ATOM 47 CD1 TYR 6 1.018 -6.185 6.208 1.00 0.00 ATOM 48 CD2 TYR 6 -0.774 -4.615 6.077 1.00 0.00 ATOM 49 CE1 TYR 6 1.400 -5.872 4.918 1.00 0.00 ATOM 50 CE2 TYR 6 -0.406 -4.289 4.785 1.00 0.00 ATOM 51 CZ TYR 6 0.691 -4.927 4.207 1.00 0.00 ATOM 52 OH TYR 6 1.070 -4.614 2.923 1.00 0.00 ATOM 53 O TYR 6 -1.001 -3.322 9.145 1.00 0.00 ATOM 54 C TYR 6 0.109 -3.778 9.419 1.00 0.00 ATOM 55 N ASP 7 1.308 -3.192 9.811 1.00 0.00 ATOM 56 CA ASP 7 1.215 -1.797 10.213 1.00 0.00 ATOM 57 CB ASP 7 1.970 -1.564 11.522 1.00 0.00 ATOM 58 CG ASP 7 1.313 -2.251 12.704 1.00 0.00 ATOM 59 OD1 ASP 7 0.158 -2.702 12.561 1.00 0.00 ATOM 60 OD2 ASP 7 1.956 -2.338 13.772 1.00 0.00 ATOM 61 O ASP 7 2.817 -1.164 8.538 1.00 0.00 ATOM 62 C ASP 7 1.801 -0.858 9.162 1.00 0.00 ATOM 63 N THR 8 1.101 0.246 8.927 1.00 0.00 ATOM 64 CA THR 8 1.515 1.247 7.960 1.00 0.00 ATOM 65 CB THR 8 0.305 1.978 7.347 1.00 0.00 ATOM 66 CG2 THR 8 0.767 3.035 6.357 1.00 0.00 ATOM 67 OG1 THR 8 -0.529 1.035 6.664 1.00 0.00 ATOM 68 O THR 8 2.021 2.941 9.593 1.00 0.00 ATOM 69 C THR 8 2.407 2.303 8.609 1.00 0.00 ATOM 70 N TYR 9 3.676 2.520 8.055 1.00 0.00 ATOM 71 CA TYR 9 4.589 3.498 8.656 1.00 0.00 ATOM 72 CB TYR 9 5.944 2.855 8.953 1.00 0.00 ATOM 73 CG TYR 9 5.902 1.813 10.047 1.00 0.00 ATOM 74 CD1 TYR 9 4.829 1.749 10.926 1.00 0.00 ATOM 75 CD2 TYR 9 6.935 0.896 10.197 1.00 0.00 ATOM 76 CE1 TYR 9 4.782 0.799 11.930 1.00 0.00 ATOM 77 CE2 TYR 9 6.906 -0.059 11.195 1.00 0.00 ATOM 78 CZ TYR 9 5.816 -0.103 12.064 1.00 0.00 ATOM 79 OH TYR 9 5.772 -1.049 13.062 1.00 0.00 ATOM 80 O TYR 9 4.832 5.819 8.143 1.00 0.00 ATOM 81 C TYR 9 4.812 4.682 7.707 1.00 0.00 ATOM 82 N VAL 10 4.877 4.550 6.442 1.00 0.00 ATOM 83 CA VAL 10 5.003 5.663 5.515 1.00 0.00 ATOM 84 CB VAL 10 6.533 5.984 5.302 1.00 0.00 ATOM 85 CG1 VAL 10 7.275 5.919 6.623 1.00 0.00 ATOM 86 CG2 VAL 10 7.158 5.100 4.276 1.00 0.00 ATOM 87 O VAL 10 3.933 4.365 3.803 1.00 0.00 ATOM 88 C VAL 10 4.218 5.490 4.227 1.00 0.00 ATOM 89 N LYS 11 3.839 6.610 3.626 1.00 0.00 ATOM 90 CA LYS 11 3.155 6.608 2.340 1.00 0.00 ATOM 91 CB LYS 11 1.701 6.883 2.709 1.00 0.00 ATOM 92 CG LYS 11 0.627 6.383 1.842 1.00 0.00 ATOM 93 CD LYS 11 -0.702 6.892 2.421 1.00 0.00 ATOM 94 CE LYS 11 -0.709 6.931 3.969 1.00 0.00 ATOM 95 NZ LYS 11 -2.004 7.417 4.519 1.00 0.00 ATOM 96 O LYS 11 3.802 8.888 1.993 1.00 0.00 ATOM 97 C LYS 11 3.667 7.763 1.498 1.00 0.00 ATOM 98 N ALA 12 3.962 7.478 0.232 1.00 0.00 ATOM 99 CA ALA 12 4.430 8.495 -0.704 1.00 0.00 ATOM 100 CB ALA 12 5.822 8.138 -1.184 1.00 0.00 ATOM 101 O ALA 12 3.257 7.409 -2.494 1.00 0.00 ATOM 102 C ALA 12 3.598 8.473 -1.977 1.00 0.00 ATOM 103 N LYS 13 3.264 9.656 -2.473 1.00 0.00 ATOM 104 CA LYS 13 2.643 9.781 -3.779 1.00 0.00 ATOM 105 CB LYS 13 2.000 11.160 -3.937 1.00 0.00 ATOM 106 CG LYS 13 0.805 11.395 -3.028 1.00 0.00 ATOM 107 CD LYS 13 0.190 12.764 -3.267 1.00 0.00 ATOM 108 CE LYS 13 -0.969 13.023 -2.318 1.00 0.00 ATOM 109 NZ LYS 13 -1.580 14.362 -2.539 1.00 0.00 ATOM 110 O LYS 13 4.800 10.131 -4.776 1.00 0.00 ATOM 111 C LYS 13 3.691 9.594 -4.869 1.00 0.00 ATOM 112 N ASP 14 3.343 8.822 -5.889 1.00 0.00 ATOM 113 CA ASP 14 4.155 8.746 -7.097 1.00 0.00 ATOM 114 CB ASP 14 5.419 8.204 -7.054 1.00 0.00 ATOM 115 CG ASP 14 6.442 9.152 -6.528 1.00 0.00 ATOM 116 OD1 ASP 14 6.184 10.379 -6.437 1.00 0.00 ATOM 117 OD2 ASP 14 7.580 8.621 -6.272 1.00 0.00 ATOM 118 O ASP 14 2.717 7.987 -8.847 1.00 0.00 ATOM 119 C ASP 14 3.217 8.953 -8.271 1.00 0.00 ATOM 120 N GLY 15 2.968 10.224 -8.595 1.00 0.00 ATOM 121 CA GLY 15 1.973 10.616 -9.595 1.00 0.00 ATOM 122 O GLY 15 -0.050 10.496 -8.295 1.00 0.00 ATOM 123 C GLY 15 0.582 10.055 -9.255 1.00 0.00 ATOM 124 N HIS 16 0.125 9.072 -10.024 1.00 0.00 ATOM 125 CA HIS 16 -1.211 8.501 -9.833 1.00 0.00 ATOM 126 CB HIS 16 -1.844 8.140 -11.179 1.00 0.00 ATOM 127 CG HIS 16 -2.141 9.325 -12.044 1.00 0.00 ATOM 128 CD2 HIS 16 -1.606 9.864 -13.285 1.00 0.00 ATOM 129 ND1 HIS 16 -3.135 10.233 -11.748 1.00 0.00 ATOM 130 CE1 HIS 16 -3.163 11.179 -12.703 1.00 0.00 ATOM 131 NE2 HIS 16 -2.247 10.964 -13.629 1.00 0.00 ATOM 132 O HIS 16 -2.343 6.739 -8.767 1.00 0.00 ATOM 133 C HIS 16 -1.255 7.242 -9.009 1.00 0.00 ATOM 134 N VAL 17 0.044 6.773 -8.635 1.00 0.00 ATOM 135 CA VAL 17 0.099 5.635 -7.701 1.00 0.00 ATOM 136 CB VAL 17 1.171 4.612 -8.120 1.00 0.00 ATOM 137 CG1 VAL 17 0.859 4.048 -9.497 1.00 0.00 ATOM 138 CG2 VAL 17 2.542 5.266 -8.168 1.00 0.00 ATOM 139 O VAL 17 0.983 7.207 -6.103 1.00 0.00 ATOM 140 C VAL 17 0.491 6.088 -6.299 1.00 0.00 ATOM 141 N MET 18 0.270 5.203 -5.328 1.00 0.00 ATOM 142 CA MET 18 0.763 5.399 -3.966 1.00 0.00 ATOM 143 CB MET 18 -0.423 5.426 -3.000 1.00 0.00 ATOM 144 CG MET 18 -1.396 6.568 -3.242 1.00 0.00 ATOM 145 SD MET 18 -2.841 6.493 -2.167 1.00 0.00 ATOM 146 CE MET 18 -3.761 5.160 -2.929 1.00 0.00 ATOM 147 O MET 18 1.401 3.080 -3.936 1.00 0.00 ATOM 148 C MET 18 1.693 4.250 -3.629 1.00 0.00 ATOM 149 N HIS 19 2.834 4.586 -2.988 1.00 0.00 ATOM 150 CA HIS 19 3.788 3.590 -2.474 1.00 0.00 ATOM 151 CB HIS 19 5.192 4.073 -2.756 1.00 0.00 ATOM 152 CG HIS 19 6.235 3.151 -2.209 1.00 0.00 ATOM 153 CD2 HIS 19 6.152 1.873 -1.768 1.00 0.00 ATOM 154 ND1 HIS 19 7.565 3.506 -2.116 1.00 0.00 ATOM 155 CE1 HIS 19 8.256 2.484 -1.643 1.00 0.00 ATOM 156 NE2 HIS 19 7.425 1.481 -1.425 1.00 0.00 ATOM 157 O HIS 19 4.115 4.725 -0.408 1.00 0.00 ATOM 158 C HIS 19 3.817 3.672 -0.959 1.00 0.00 ATOM 159 N PHE 20 3.482 2.571 -0.311 1.00 0.00 ATOM 160 CA PHE 20 3.451 2.508 1.152 1.00 0.00 ATOM 161 CB PHE 20 1.988 2.214 1.622 1.00 0.00 ATOM 162 CG PHE 20 1.519 0.832 1.244 1.00 0.00 ATOM 163 CD1 PHE 20 1.772 -0.263 2.056 1.00 0.00 ATOM 164 CD2 PHE 20 0.813 0.629 0.070 1.00 0.00 ATOM 165 CE1 PHE 20 1.338 -1.526 1.707 1.00 0.00 ATOM 166 CE2 PHE 20 0.377 -0.637 -0.288 1.00 0.00 ATOM 167 CZ PHE 20 0.642 -1.718 0.527 1.00 0.00 ATOM 168 O PHE 20 4.884 0.579 1.160 1.00 0.00 ATOM 169 C PHE 20 4.578 1.642 1.709 1.00 0.00 ATOM 170 N ASP 21 5.191 2.124 2.789 1.00 0.00 ATOM 171 CA ASP 21 6.146 1.336 3.566 1.00 0.00 ATOM 172 CB ASP 21 6.956 2.299 4.323 1.00 0.00 ATOM 173 CG ASP 21 7.811 1.491 5.324 1.00 0.00 ATOM 174 OD1 ASP 21 7.779 0.238 5.298 1.00 0.00 ATOM 175 OD2 ASP 21 8.554 2.075 6.149 1.00 0.00 ATOM 176 O ASP 21 4.794 1.520 5.543 1.00 0.00 ATOM 177 C ASP 21 5.427 0.775 4.782 1.00 0.00 ATOM 178 N VAL 22 5.526 -0.539 4.950 1.00 0.00 ATOM 179 CA VAL 22 4.781 -1.253 5.978 1.00 0.00 ATOM 180 CB VAL 22 3.697 -2.141 5.338 1.00 0.00 ATOM 181 CG1 VAL 22 2.701 -1.291 4.563 1.00 0.00 ATOM 182 CG2 VAL 22 4.326 -3.139 4.376 1.00 0.00 ATOM 183 O VAL 22 6.817 -2.491 6.379 1.00 0.00 ATOM 184 C VAL 22 5.686 -2.178 6.786 1.00 0.00 ATOM 185 N PHE 23 5.174 -2.642 7.914 1.00 0.00 ATOM 186 CA PHE 23 5.834 -3.617 8.747 1.00 0.00 ATOM 187 CB PHE 23 6.223 -2.983 10.084 1.00 0.00 ATOM 188 CG PHE 23 6.929 -3.923 11.018 1.00 0.00 ATOM 189 CD1 PHE 23 8.261 -4.246 10.822 1.00 0.00 ATOM 190 CD2 PHE 23 6.262 -4.485 12.091 1.00 0.00 ATOM 191 CE1 PHE 23 8.911 -5.111 11.682 1.00 0.00 ATOM 192 CE2 PHE 23 6.912 -5.350 12.952 1.00 0.00 ATOM 193 CZ PHE 23 8.231 -5.663 12.751 1.00 0.00 ATOM 194 O PHE 23 3.756 -4.480 9.466 1.00 0.00 ATOM 195 C PHE 23 4.852 -4.781 8.962 1.00 0.00 ATOM 196 N THR 24 5.337 -5.946 8.745 1.00 0.00 ATOM 197 CA THR 24 4.485 -7.126 8.916 1.00 0.00 ATOM 198 CB THR 24 4.353 -7.911 7.624 1.00 0.00 ATOM 199 CG2 THR 24 3.381 -9.072 7.869 1.00 0.00 ATOM 200 OG1 THR 24 3.800 -7.050 6.611 1.00 0.00 ATOM 201 O THR 24 6.212 -8.536 9.746 1.00 0.00 ATOM 202 C THR 24 5.059 -8.110 9.915 1.00 0.00 ATOM 203 N ASP 25 4.243 -8.515 10.868 1.00 0.00 ATOM 204 CA ASP 25 4.661 -9.528 11.841 1.00 0.00 ATOM 205 CB ASP 25 4.408 -9.053 13.274 1.00 0.00 ATOM 206 CG ASP 25 4.867 -10.058 14.310 1.00 0.00 ATOM 207 OD1 ASP 25 5.293 -11.165 13.918 1.00 0.00 ATOM 208 OD2 ASP 25 4.800 -9.740 15.518 1.00 0.00 ATOM 209 O ASP 25 2.539 -10.564 11.457 1.00 0.00 ATOM 210 C ASP 25 3.766 -10.700 11.492 1.00 0.00 ATOM 211 N VAL 26 4.376 -11.846 11.241 1.00 0.00 ATOM 212 CA VAL 26 3.624 -13.011 10.804 1.00 0.00 ATOM 213 CB VAL 26 3.567 -13.060 9.256 1.00 0.00 ATOM 214 CG1 VAL 26 4.945 -13.133 8.648 1.00 0.00 ATOM 215 CG2 VAL 26 2.683 -14.193 8.797 1.00 0.00 ATOM 216 O VAL 26 5.518 -14.282 11.524 1.00 0.00 ATOM 217 C VAL 26 4.318 -14.285 11.223 1.00 0.00 ATOM 218 N ARG 27 3.553 -15.375 11.243 1.00 0.00 ATOM 219 CA ARG 27 4.084 -16.703 11.515 1.00 0.00 ATOM 220 CB ARG 27 3.055 -17.738 11.688 1.00 0.00 ATOM 221 CG ARG 27 2.203 -17.463 12.879 1.00 0.00 ATOM 222 CD ARG 27 1.329 -18.616 13.238 1.00 0.00 ATOM 223 NE ARG 27 2.107 -19.642 13.942 1.00 0.00 ATOM 224 CZ ARG 27 1.738 -20.921 14.054 1.00 0.00 ATOM 225 NH1 ARG 27 0.631 -21.374 13.458 1.00 0.00 ATOM 226 NH2 ARG 27 2.476 -21.771 14.757 1.00 0.00 ATOM 227 O ARG 27 6.075 -17.549 10.593 1.00 0.00 ATOM 228 C ARG 27 4.975 -17.007 10.366 1.00 0.00 ATOM 229 N ASP 28 4.533 -16.751 9.046 1.00 0.00 ATOM 230 CA ASP 28 5.316 -17.119 7.867 1.00 0.00 ATOM 231 CB ASP 28 4.901 -18.450 7.236 1.00 0.00 ATOM 232 CG ASP 28 5.847 -18.894 6.138 1.00 0.00 ATOM 233 OD1 ASP 28 6.902 -18.248 5.966 1.00 0.00 ATOM 234 OD2 ASP 28 5.533 -19.889 5.450 1.00 0.00 ATOM 235 O ASP 28 3.979 -15.535 6.624 1.00 0.00 ATOM 236 C ASP 28 5.106 -16.017 6.822 1.00 0.00 ATOM 237 N ASP 29 6.171 -15.613 6.177 1.00 0.00 ATOM 238 CA ASP 29 6.161 -14.569 5.166 1.00 0.00 ATOM 239 CB ASP 29 7.450 -13.748 5.242 1.00 0.00 ATOM 240 CG ASP 29 8.684 -14.575 4.940 1.00 0.00 ATOM 241 OD1 ASP 29 8.543 -15.796 4.723 1.00 0.00 ATOM 242 OD2 ASP 29 9.793 -14.000 4.918 1.00 0.00 ATOM 243 O ASP 29 6.086 -14.257 2.795 1.00 0.00 ATOM 244 C ASP 29 6.052 -15.060 3.733 1.00 0.00 ATOM 245 N LYS 30 6.001 -16.476 3.844 1.00 0.00 ATOM 246 CA LYS 30 5.895 -17.166 2.550 1.00 0.00 ATOM 247 CB LYS 30 5.531 -18.638 2.757 1.00 0.00 ATOM 248 CG LYS 30 5.404 -19.433 1.466 1.00 0.00 ATOM 249 CD LYS 30 5.114 -20.898 1.749 1.00 0.00 ATOM 250 CE LYS 30 5.019 -21.699 0.459 1.00 0.00 ATOM 251 NZ LYS 30 4.709 -23.133 0.718 1.00 0.00 ATOM 252 O LYS 30 4.979 -16.659 0.383 1.00 0.00 ATOM 253 C LYS 30 4.832 -16.588 1.605 1.00 0.00 ATOM 254 N LYS 31 3.757 -16.042 2.162 1.00 0.00 ATOM 255 CA LYS 31 2.676 -15.548 1.317 1.00 0.00 ATOM 256 CB LYS 31 1.760 -16.790 0.955 1.00 0.00 ATOM 257 CG LYS 31 2.406 -17.821 0.040 1.00 0.00 ATOM 258 CD LYS 31 1.444 -18.948 -0.261 1.00 0.00 ATOM 259 CE LYS 31 2.094 -20.014 -1.127 1.00 0.00 ATOM 260 NZ LYS 31 1.159 -21.154 -1.348 1.00 0.00 ATOM 261 O LYS 31 1.415 -13.509 1.098 1.00 0.00 ATOM 262 C LYS 31 2.497 -14.026 1.364 1.00 0.00 ATOM 263 N ALA 32 3.577 -13.319 1.684 1.00 0.00 ATOM 264 CA ALA 32 3.538 -11.854 1.724 1.00 0.00 ATOM 265 CB ALA 32 4.884 -11.299 2.163 1.00 0.00 ATOM 266 O ALA 32 2.424 -10.287 0.244 1.00 0.00 ATOM 267 C ALA 32 3.161 -11.269 0.343 1.00 0.00 ATOM 268 N ILE 33 3.674 -11.873 -0.715 1.00 0.00 ATOM 269 CA ILE 33 3.331 -11.423 -2.065 1.00 0.00 ATOM 270 CB ILE 33 4.016 -12.304 -3.126 1.00 0.00 ATOM 271 CG1 ILE 33 5.522 -12.043 -3.147 1.00 0.00 ATOM 272 CG2 ILE 33 3.456 -12.005 -4.509 1.00 0.00 ATOM 273 CD1 ILE 33 6.306 -13.046 -3.965 1.00 0.00 ATOM 274 O ILE 33 1.183 -10.616 -2.773 1.00 0.00 ATOM 275 C ILE 33 1.817 -11.534 -2.250 1.00 0.00 ATOM 276 N GLU 34 1.245 -12.657 -1.811 1.00 0.00 ATOM 277 CA GLU 34 -0.204 -12.867 -1.888 1.00 0.00 ATOM 278 CB GLU 34 -0.571 -14.260 -1.372 1.00 0.00 ATOM 279 CG GLU 34 -0.124 -15.396 -2.277 1.00 0.00 ATOM 280 CD GLU 34 -0.394 -16.761 -1.677 1.00 0.00 ATOM 281 OE1 GLU 34 -0.863 -16.820 -0.520 1.00 0.00 ATOM 282 OE2 GLU 34 -0.138 -17.773 -2.362 1.00 0.00 ATOM 283 O GLU 34 -2.064 -11.394 -1.461 1.00 0.00 ATOM 284 C GLU 34 -0.988 -11.842 -1.063 1.00 0.00 ATOM 285 N PHE 35 -0.412 -11.421 0.065 1.00 0.00 ATOM 286 CA PHE 35 -1.034 -10.409 0.943 1.00 0.00 ATOM 287 CB PHE 35 -0.240 -10.248 2.206 1.00 0.00 ATOM 288 CG PHE 35 -0.995 -9.467 3.287 1.00 0.00 ATOM 289 CD1 PHE 35 -2.153 -10.046 3.830 1.00 0.00 ATOM 290 CD2 PHE 35 -0.620 -8.160 3.660 1.00 0.00 ATOM 291 CE1 PHE 35 -2.856 -9.380 4.849 1.00 0.00 ATOM 292 CE2 PHE 35 -1.353 -7.486 4.650 1.00 0.00 ATOM 293 CZ PHE 35 -2.446 -8.107 5.278 1.00 0.00 ATOM 294 O PHE 35 -2.123 -8.382 0.262 1.00 0.00 ATOM 295 C PHE 35 -1.087 -9.052 0.238 1.00 0.00 ATOM 296 N ALA 36 0.023 -8.654 -0.386 1.00 0.00 ATOM 297 CA ALA 36 0.076 -7.391 -1.131 1.00 0.00 ATOM 298 CB ALA 36 1.476 -7.156 -1.678 1.00 0.00 ATOM 299 O ALA 36 -1.608 -6.437 -2.557 1.00 0.00 ATOM 300 C ALA 36 -0.904 -7.414 -2.309 1.00 0.00 ATOM 301 N LYS 37 -0.932 -8.549 -3.018 1.00 0.00 ATOM 302 CA LYS 37 -1.901 -8.725 -4.093 1.00 0.00 ATOM 303 CB LYS 37 -1.633 -10.014 -4.907 1.00 0.00 ATOM 304 CG LYS 37 -0.286 -10.004 -5.665 1.00 0.00 ATOM 305 CD LYS 37 -0.313 -10.736 -6.994 1.00 0.00 ATOM 306 CE LYS 37 0.976 -10.464 -7.812 1.00 0.00 ATOM 307 NZ LYS 37 0.873 -10.967 -9.221 1.00 0.00 ATOM 308 O LYS 37 -4.221 -8.035 -4.153 1.00 0.00 ATOM 309 C LYS 37 -3.342 -8.690 -3.567 1.00 0.00 ATOM 310 N GLN 38 -3.567 -9.352 -2.427 1.00 0.00 ATOM 311 CA GLN 38 -4.898 -9.409 -1.838 1.00 0.00 ATOM 312 CB GLN 38 -4.907 -10.248 -0.578 1.00 0.00 ATOM 313 CG GLN 38 -6.295 -10.401 0.038 1.00 0.00 ATOM 314 CD GLN 38 -6.307 -11.344 1.224 1.00 0.00 ATOM 315 OE1 GLN 38 -5.631 -11.110 2.227 1.00 0.00 ATOM 316 NE2 GLN 38 -7.087 -12.418 1.119 1.00 0.00 ATOM 317 O GLN 38 -6.574 -7.702 -1.737 1.00 0.00 ATOM 318 C GLN 38 -5.416 -8.029 -1.451 1.00 0.00 ATOM 319 N TRP 39 -4.575 -7.221 -0.815 1.00 0.00 ATOM 320 CA TRP 39 -5.007 -5.894 -0.414 1.00 0.00 ATOM 321 CB TRP 39 -3.925 -5.262 0.503 1.00 0.00 ATOM 322 CG TRP 39 -4.332 -3.921 1.040 1.00 0.00 ATOM 323 CD1 TRP 39 -3.779 -2.708 0.736 1.00 0.00 ATOM 324 CD2 TRP 39 -5.398 -3.656 1.959 1.00 0.00 ATOM 325 CE2 TRP 39 -5.434 -2.259 2.167 1.00 0.00 ATOM 326 CE3 TRP 39 -6.329 -4.466 2.629 1.00 0.00 ATOM 327 NE1 TRP 39 -4.433 -1.706 1.409 1.00 0.00 ATOM 328 CZ2 TRP 39 -6.364 -1.651 3.021 1.00 0.00 ATOM 329 CZ3 TRP 39 -7.255 -3.858 3.481 1.00 0.00 ATOM 330 CH2 TRP 39 -7.264 -2.464 3.667 1.00 0.00 ATOM 331 O TRP 39 -6.264 -4.274 -1.633 1.00 0.00 ATOM 332 C TRP 39 -5.277 -4.991 -1.607 1.00 0.00 ATOM 333 N LEU 40 -4.424 -5.037 -2.614 1.00 0.00 ATOM 334 CA LEU 40 -4.556 -4.133 -3.744 1.00 0.00 ATOM 335 CB LEU 40 -3.352 -4.303 -4.694 1.00 0.00 ATOM 336 CG LEU 40 -1.931 -4.010 -4.198 1.00 0.00 ATOM 337 CD1 LEU 40 -0.920 -4.348 -5.286 1.00 0.00 ATOM 338 CD2 LEU 40 -1.801 -2.565 -3.776 1.00 0.00 ATOM 339 O LEU 40 -6.564 -3.389 -4.822 1.00 0.00 ATOM 340 C LEU 40 -5.886 -4.346 -4.442 1.00 0.00 ATOM 341 N SER 41 -6.258 -5.617 -4.584 1.00 0.00 ATOM 342 CA SER 41 -7.525 -6.019 -5.190 1.00 0.00 ATOM 343 CB SER 41 -7.618 -7.544 -5.277 1.00 0.00 ATOM 344 OG SER 41 -8.849 -7.948 -5.849 1.00 0.00 ATOM 345 O SER 41 -9.632 -5.003 -4.911 1.00 0.00 ATOM 346 C SER 41 -8.694 -5.572 -4.375 1.00 0.00 ATOM 347 N SER 42 -8.609 -5.723 -3.054 1.00 0.00 ATOM 348 CA SER 42 -9.717 -5.326 -2.193 1.00 0.00 ATOM 349 CB SER 42 -9.358 -5.676 -0.747 1.00 0.00 ATOM 350 OG SER 42 -9.308 -7.080 -0.560 1.00 0.00 ATOM 351 O SER 42 -11.098 -3.371 -2.144 1.00 0.00 ATOM 352 C SER 42 -9.958 -3.827 -2.258 1.00 0.00 ATOM 353 N ILE 43 -8.883 -3.068 -2.451 1.00 0.00 ATOM 354 CA ILE 43 -8.956 -1.611 -2.492 1.00 0.00 ATOM 355 CB ILE 43 -7.647 -0.966 -1.998 1.00 0.00 ATOM 356 CG1 ILE 43 -6.491 -1.318 -2.938 1.00 0.00 ATOM 357 CG2 ILE 43 -7.303 -1.464 -0.603 1.00 0.00 ATOM 358 CD1 ILE 43 -5.215 -0.564 -2.645 1.00 0.00 ATOM 359 O ILE 43 -9.536 0.101 -4.081 1.00 0.00 ATOM 360 C ILE 43 -9.238 -1.084 -3.902 1.00 0.00 ATOM 361 N GLY 44 -9.161 -1.974 -4.889 1.00 0.00 ATOM 362 CA GLY 44 -9.452 -1.629 -6.272 1.00 0.00 ATOM 363 O GLY 44 -8.588 -0.193 -7.978 1.00 0.00 ATOM 364 C GLY 44 -8.344 -0.855 -6.970 1.00 0.00 ATOM 365 N GLU 45 -7.164 -0.901 -6.515 1.00 0.00 ATOM 366 CA GLU 45 -5.969 -0.199 -6.983 1.00 0.00 ATOM 367 CB GLU 45 -5.330 0.639 -5.875 1.00 0.00 ATOM 368 CG GLU 45 -6.221 1.744 -5.395 1.00 0.00 ATOM 369 CD GLU 45 -6.807 2.640 -6.469 1.00 0.00 ATOM 370 OE1 GLU 45 -6.052 3.175 -7.270 1.00 0.00 ATOM 371 OE2 GLU 45 -8.066 2.758 -6.640 1.00 0.00 ATOM 372 O GLU 45 -3.888 -0.677 -8.094 1.00 0.00 ATOM 373 C GLU 45 -4.891 -1.133 -7.535 1.00 0.00 ATOM 374 N GLU 46 -5.073 -2.416 -7.362 1.00 0.00 ATOM 375 CA GLU 46 -4.071 -3.403 -7.728 1.00 0.00 ATOM 376 CB GLU 46 -4.540 -4.811 -7.356 1.00 0.00 ATOM 377 CG GLU 46 -3.538 -5.906 -7.680 1.00 0.00 ATOM 378 CD GLU 46 -4.024 -7.282 -7.268 1.00 0.00 ATOM 379 OE1 GLU 46 -5.140 -7.377 -6.716 1.00 0.00 ATOM 380 OE2 GLU 46 -3.287 -8.265 -7.496 1.00 0.00 ATOM 381 O GLU 46 -2.675 -3.259 -9.672 1.00 0.00 ATOM 382 C GLU 46 -3.820 -3.352 -9.230 1.00 0.00 ATOM 383 N GLY 47 -4.889 -3.367 -10.058 1.00 0.00 ATOM 384 CA GLY 47 -4.750 -3.325 -11.501 1.00 0.00 ATOM 385 O GLY 47 -3.238 -2.072 -12.849 1.00 0.00 ATOM 386 C GLY 47 -4.135 -2.037 -12.025 1.00 0.00 ATOM 387 N ALA 48 -4.615 -0.817 -11.533 1.00 0.00 ATOM 388 CA ALA 48 -4.060 0.472 -11.964 1.00 0.00 ATOM 389 CB ALA 48 -4.932 1.634 -11.421 1.00 0.00 ATOM 390 O ALA 48 -1.782 1.209 -12.198 1.00 0.00 ATOM 391 C ALA 48 -2.622 0.642 -11.493 1.00 0.00 ATOM 392 N THR 49 -2.323 0.145 -10.279 1.00 0.00 ATOM 393 CA THR 49 -0.986 0.256 -9.719 1.00 0.00 ATOM 394 CB THR 49 -0.913 -0.360 -8.309 1.00 0.00 ATOM 395 CG2 THR 49 0.507 -0.287 -7.769 1.00 0.00 ATOM 396 OG1 THR 49 -1.783 0.358 -7.425 1.00 0.00 ATOM 397 O THR 49 1.180 -0.020 -10.720 1.00 0.00 ATOM 398 C THR 49 0.046 -0.473 -10.576 1.00 0.00 ATOM 399 N VAL 50 -0.448 -1.712 -11.055 1.00 0.00 ATOM 400 CA VAL 50 0.478 -2.467 -11.895 1.00 0.00 ATOM 401 CB VAL 50 -0.232 -3.628 -12.615 1.00 0.00 ATOM 402 CG1 VAL 50 0.693 -4.266 -13.639 1.00 0.00 ATOM 403 CG2 VAL 50 -0.654 -4.696 -11.617 1.00 0.00 ATOM 404 O VAL 50 2.349 -1.457 -13.015 1.00 0.00 ATOM 405 C VAL 50 1.120 -1.585 -12.969 1.00 0.00 ATOM 406 N THR 51 0.288 -0.919 -13.737 1.00 0.00 ATOM 407 CA THR 51 0.776 -0.029 -14.798 1.00 0.00 ATOM 408 CB THR 51 -0.380 0.483 -15.679 1.00 0.00 ATOM 409 CG2 THR 51 0.144 1.430 -16.747 1.00 0.00 ATOM 410 OG1 THR 51 -1.026 -0.625 -16.316 1.00 0.00 ATOM 411 O THR 51 2.667 1.454 -14.570 1.00 0.00 ATOM 412 C THR 51 1.503 1.193 -14.241 1.00 0.00 ATOM 413 N SER 52 0.835 1.999 -13.350 1.00 0.00 ATOM 414 CA SER 52 1.448 3.188 -12.770 1.00 0.00 ATOM 415 CB SER 52 0.430 3.954 -11.939 1.00 0.00 ATOM 416 OG SER 52 -0.629 4.387 -12.803 1.00 0.00 ATOM 417 O SER 52 3.711 3.512 -11.931 1.00 0.00 ATOM 418 C SER 52 2.706 2.791 -11.942 1.00 0.00 ATOM 419 N GLU 53 2.604 1.703 -11.189 1.00 0.00 ATOM 420 CA GLU 53 3.738 1.233 -10.411 1.00 0.00 ATOM 421 CB GLU 53 3.419 -0.115 -9.759 1.00 0.00 ATOM 422 CG GLU 53 4.530 -0.656 -8.877 1.00 0.00 ATOM 423 CD GLU 53 4.155 -1.959 -8.198 1.00 0.00 ATOM 424 OE1 GLU 53 3.015 -2.426 -8.402 1.00 0.00 ATOM 425 OE2 GLU 53 5.000 -2.512 -7.463 1.00 0.00 ATOM 426 O GLU 53 6.106 1.083 -10.740 1.00 0.00 ATOM 427 C GLU 53 4.988 0.981 -11.246 1.00 0.00 ATOM 428 N GLU 54 4.814 0.645 -12.548 1.00 0.00 ATOM 429 CA GLU 54 5.963 0.390 -13.406 1.00 0.00 ATOM 430 CB GLU 54 5.496 -0.003 -14.810 1.00 0.00 ATOM 431 CG GLU 54 6.628 -0.226 -15.801 1.00 0.00 ATOM 432 CD GLU 54 6.131 -0.655 -17.166 1.00 0.00 ATOM 433 OE1 GLU 54 4.902 -0.810 -17.329 1.00 0.00 ATOM 434 OE2 GLU 54 6.969 -0.835 -18.075 1.00 0.00 ATOM 435 O GLU 54 7.999 1.659 -13.314 1.00 0.00 ATOM 436 C GLU 54 6.782 1.677 -13.512 1.00 0.00 ATOM 437 N CYS 55 6.122 2.815 -13.778 1.00 0.00 ATOM 438 CA CYS 55 6.819 4.096 -13.874 1.00 0.00 ATOM 439 CB CYS 55 5.852 5.199 -14.306 1.00 0.00 ATOM 440 SG CYS 55 5.264 5.053 -16.010 1.00 0.00 ATOM 441 O CYS 55 8.630 4.852 -12.498 1.00 0.00 ATOM 442 C CYS 55 7.454 4.488 -12.546 1.00 0.00 ATOM 443 N ARG 56 6.597 4.354 -11.523 1.00 0.00 ATOM 444 CA ARG 56 7.090 4.691 -10.195 1.00 0.00 ATOM 445 CB ARG 56 5.954 4.624 -9.172 1.00 0.00 ATOM 446 CG ARG 56 6.356 5.058 -7.770 1.00 0.00 ATOM 447 CD ARG 56 5.184 4.962 -6.808 1.00 0.00 ATOM 448 NE ARG 56 4.757 3.580 -6.599 1.00 0.00 ATOM 449 CZ ARG 56 5.389 2.713 -5.815 1.00 0.00 ATOM 450 NH1 ARG 56 4.928 1.476 -5.687 1.00 0.00 ATOM 451 NH2 ARG 56 6.481 3.085 -5.161 1.00 0.00 ATOM 452 O ARG 56 9.189 4.157 -9.144 1.00 0.00 ATOM 453 C ARG 56 8.202 3.731 -9.739 1.00 0.00 ATOM 454 N PHE 57 8.020 2.443 -10.028 1.00 0.00 ATOM 455 CA PHE 57 9.026 1.462 -9.667 1.00 0.00 ATOM 456 CB PHE 57 8.577 0.058 -10.077 1.00 0.00 ATOM 457 CG PHE 57 9.584 -1.014 -9.776 1.00 0.00 ATOM 458 CD1 PHE 57 9.714 -1.521 -8.493 1.00 0.00 ATOM 459 CD2 PHE 57 10.402 -1.517 -10.772 1.00 0.00 ATOM 460 CE1 PHE 57 10.641 -2.507 -8.215 1.00 0.00 ATOM 461 CE2 PHE 57 11.329 -2.503 -10.495 1.00 0.00 ATOM 462 CZ PHE 57 11.451 -2.998 -9.222 1.00 0.00 ATOM 463 O PHE 57 11.427 1.778 -9.765 1.00 0.00 ATOM 464 C PHE 57 10.368 1.791 -10.385 1.00 0.00 ATOM 465 N CYS 58 10.279 2.067 -11.662 1.00 0.00 ATOM 466 CA CYS 58 11.470 2.320 -12.430 1.00 0.00 ATOM 467 CB CYS 58 11.253 2.419 -13.911 1.00 0.00 ATOM 468 SG CYS 58 10.743 0.859 -14.649 1.00 0.00 ATOM 469 O CYS 58 13.345 3.617 -11.722 1.00 0.00 ATOM 470 C CYS 58 12.114 3.579 -11.912 1.00 0.00 ATOM 471 N HIS 59 11.299 4.603 -11.669 1.00 0.00 ATOM 472 CA HIS 59 11.836 5.837 -11.158 1.00 0.00 ATOM 473 CB HIS 59 10.762 6.926 -11.287 1.00 0.00 ATOM 474 CG HIS 59 10.590 7.421 -12.686 1.00 0.00 ATOM 475 CD2 HIS 59 11.153 7.013 -13.877 1.00 0.00 ATOM 476 ND1 HIS 59 9.755 8.449 -13.018 1.00 0.00 ATOM 477 CE1 HIS 59 9.816 8.658 -14.319 1.00 0.00 ATOM 478 NE2 HIS 59 10.671 7.800 -14.882 1.00 0.00 ATOM 479 O HIS 59 13.377 6.400 -9.465 1.00 0.00 ATOM 480 C HIS 59 12.408 5.699 -9.775 1.00 0.00 ATOM 481 N SER 60 11.878 4.777 -8.963 1.00 0.00 ATOM 482 CA SER 60 12.445 4.519 -7.627 1.00 0.00 ATOM 483 CB SER 60 11.530 3.609 -6.853 1.00 0.00 ATOM 484 OG SER 60 11.582 2.254 -7.243 1.00 0.00 ATOM 485 O SER 60 14.620 4.060 -6.746 1.00 0.00 ATOM 486 C SER 60 13.853 3.953 -7.727 1.00 0.00 ATOM 487 N GLN 61 14.165 3.310 -8.863 1.00 0.00 ATOM 488 CA GLN 61 15.520 2.846 -9.173 1.00 0.00 ATOM 489 CB GLN 61 15.618 2.430 -10.642 1.00 0.00 ATOM 490 CG GLN 61 16.979 1.884 -11.042 1.00 0.00 ATOM 491 CD GLN 61 17.033 1.462 -12.498 1.00 0.00 ATOM 492 OE1 GLN 61 16.080 1.669 -13.249 1.00 0.00 ATOM 493 NE2 GLN 61 18.149 0.867 -12.900 1.00 0.00 ATOM 494 O GLN 61 17.672 3.661 -8.589 1.00 0.00 ATOM 495 C GLN 61 16.531 3.937 -8.929 1.00 0.00 ATOM 496 N LYS 62 16.138 5.156 -9.178 1.00 0.00 ATOM 497 CA LYS 62 16.996 6.313 -8.976 1.00 0.00 ATOM 498 CB LYS 62 16.314 7.582 -9.491 1.00 0.00 ATOM 499 CG LYS 62 16.201 7.657 -11.004 1.00 0.00 ATOM 500 CD LYS 62 15.518 8.941 -11.444 1.00 0.00 ATOM 501 CE LYS 62 15.384 9.005 -12.957 1.00 0.00 ATOM 502 NZ LYS 62 14.685 10.243 -13.401 1.00 0.00 ATOM 503 O LYS 62 18.480 6.776 -7.154 1.00 0.00 ATOM 504 C LYS 62 17.327 6.506 -7.510 1.00 0.00 ATOM 505 N ALA 63 16.320 6.426 -6.647 1.00 0.00 ATOM 506 CA ALA 63 16.543 6.570 -5.223 1.00 0.00 ATOM 507 CB ALA 63 15.241 6.920 -4.521 1.00 0.00 ATOM 508 O ALA 63 16.395 4.246 -4.803 1.00 0.00 ATOM 509 C ALA 63 17.079 5.266 -4.686 1.00 0.00 ATOM 510 N PRO 64 18.232 5.258 -4.076 1.00 0.00 ATOM 511 CA PRO 64 18.792 3.995 -3.620 1.00 0.00 ATOM 512 CB PRO 64 20.092 4.397 -2.919 1.00 0.00 ATOM 513 CG PRO 64 20.468 5.698 -3.546 1.00 0.00 ATOM 514 CD PRO 64 19.178 6.428 -3.798 1.00 0.00 ATOM 515 O PRO 64 17.346 3.930 -1.757 1.00 0.00 ATOM 516 C PRO 64 17.925 3.266 -2.606 1.00 0.00 ATOM 517 N ASP 65 17.836 1.932 -2.711 1.00 0.00 ATOM 518 CA ASP 65 17.011 1.156 -1.786 1.00 0.00 ATOM 519 CB ASP 65 17.058 -0.343 -2.085 1.00 0.00 ATOM 520 CG ASP 65 16.267 -0.716 -3.323 1.00 0.00 ATOM 521 OD1 ASP 65 15.497 0.136 -3.814 1.00 0.00 ATOM 522 OD2 ASP 65 16.416 -1.860 -3.801 1.00 0.00 ATOM 523 O ASP 65 16.707 1.334 0.594 1.00 0.00 ATOM 524 C ASP 65 17.498 1.372 -0.356 1.00 0.00 ATOM 525 N GLU 66 18.799 1.616 -0.185 1.00 0.00 ATOM 526 CA GLU 66 19.351 1.830 1.139 1.00 0.00 ATOM 527 CB GLU 66 20.872 1.972 1.059 1.00 0.00 ATOM 528 CG GLU 66 21.599 0.683 0.716 1.00 0.00 ATOM 529 CD GLU 66 23.089 0.886 0.524 1.00 0.00 ATOM 530 OE1 GLU 66 23.542 2.048 0.584 1.00 0.00 ATOM 531 OE2 GLU 66 23.803 -0.117 0.311 1.00 0.00 ATOM 532 O GLU 66 18.433 3.132 2.948 1.00 0.00 ATOM 533 C GLU 66 18.767 3.117 1.793 1.00 0.00 ATOM 534 N VAL 67 18.678 4.179 1.034 1.00 0.00 ATOM 535 CA VAL 67 18.101 5.465 1.537 1.00 0.00 ATOM 536 CB VAL 67 18.148 6.563 0.459 1.00 0.00 ATOM 537 CG1 VAL 67 17.389 7.795 0.923 1.00 0.00 ATOM 538 CG2 VAL 67 19.586 6.964 0.169 1.00 0.00 ATOM 539 O VAL 67 16.194 5.735 2.963 1.00 0.00 ATOM 540 C VAL 67 16.689 5.252 1.931 1.00 0.00 ATOM 541 N ILE 68 15.892 4.587 1.075 1.00 0.00 ATOM 542 CA ILE 68 14.498 4.338 1.387 1.00 0.00 ATOM 543 CB ILE 68 13.803 3.537 0.271 1.00 0.00 ATOM 544 CG1 ILE 68 13.686 4.384 -0.998 1.00 0.00 ATOM 545 CG2 ILE 68 12.406 3.120 0.703 1.00 0.00 ATOM 546 CD1 ILE 68 13.262 3.598 -2.220 1.00 0.00 ATOM 547 O ILE 68 13.535 3.856 3.556 1.00 0.00 ATOM 548 C ILE 68 14.371 3.539 2.687 1.00 0.00 ATOM 549 N GLU 69 15.231 2.530 2.863 1.00 0.00 ATOM 550 CA GLU 69 15.154 1.683 4.060 1.00 0.00 ATOM 551 CB GLU 69 16.169 0.541 3.974 1.00 0.00 ATOM 552 CG GLU 69 15.828 -0.515 2.936 1.00 0.00 ATOM 553 CD GLU 69 16.915 -1.563 2.792 1.00 0.00 ATOM 554 OE1 GLU 69 17.966 -1.423 3.451 1.00 0.00 ATOM 555 OE2 GLU 69 16.714 -2.525 2.022 1.00 0.00 ATOM 556 O GLU 69 14.795 2.338 6.351 1.00 0.00 ATOM 557 C GLU 69 15.453 2.509 5.316 1.00 0.00 ATOM 558 N ALA 70 16.399 3.418 5.240 1.00 0.00 ATOM 559 CA ALA 70 16.806 4.201 6.409 1.00 0.00 ATOM 560 CB ALA 70 18.036 5.034 6.087 1.00 0.00 ATOM 561 O ALA 70 15.442 5.343 8.048 1.00 0.00 ATOM 562 C ALA 70 15.690 5.144 6.850 1.00 0.00 ATOM 563 N ILE 71 14.932 5.694 5.898 1.00 0.00 ATOM 564 CA ILE 71 13.821 6.586 6.215 1.00 0.00 ATOM 565 CB ILE 71 13.266 7.252 4.910 1.00 0.00 ATOM 566 CG1 ILE 71 14.358 8.097 4.242 1.00 0.00 ATOM 567 CG2 ILE 71 12.014 8.074 5.196 1.00 0.00 ATOM 568 CD1 ILE 71 14.914 9.179 5.124 1.00 0.00 ATOM 569 O ILE 71 12.172 6.274 7.931 1.00 0.00 ATOM 570 C ILE 71 12.728 5.805 6.942 1.00 0.00 ATOM 571 N LYS 72 12.413 4.601 6.447 1.00 0.00 ATOM 572 CA LYS 72 11.418 3.744 7.080 1.00 0.00 ATOM 573 CB LYS 72 11.323 2.420 6.319 1.00 0.00 ATOM 574 CG LYS 72 10.675 2.536 4.950 1.00 0.00 ATOM 575 CD LYS 72 10.617 1.187 4.251 1.00 0.00 ATOM 576 CE LYS 72 9.990 1.307 2.871 1.00 0.00 ATOM 577 NZ LYS 72 9.958 -0.001 2.159 1.00 0.00 ATOM 578 O LYS 72 11.081 3.574 9.454 1.00 0.00 ATOM 579 C LYS 72 11.873 3.475 8.519 1.00 0.00 ATOM 580 N GLN 73 13.147 3.143 8.702 1.00 0.00 ATOM 581 CA GLN 73 13.649 2.867 10.048 1.00 0.00 ATOM 582 CB GLN 73 15.127 2.483 9.937 1.00 0.00 ATOM 583 CG GLN 73 15.366 1.114 9.322 1.00 0.00 ATOM 584 CD GLN 73 16.841 0.786 9.193 1.00 0.00 ATOM 585 OE1 GLN 73 17.700 1.565 9.607 1.00 0.00 ATOM 586 NE2 GLN 73 17.140 -0.373 8.616 1.00 0.00 ATOM 587 O GLN 73 13.506 3.868 12.230 1.00 0.00 ATOM 588 C GLN 73 13.557 4.060 11.008 1.00 0.00 ATOM 589 N ASN 74 13.542 5.270 10.475 1.00 0.00 ATOM 590 CA ASN 74 13.491 6.473 11.289 1.00 0.00 ATOM 591 CB ASN 74 14.437 7.531 10.719 1.00 0.00 ATOM 592 CG ASN 74 15.896 7.148 10.868 1.00 0.00 ATOM 593 ND2 ASN 74 16.735 7.658 9.972 1.00 0.00 ATOM 594 OD1 ASN 74 16.264 6.403 11.776 1.00 0.00 ATOM 595 O ASN 74 11.884 8.139 12.004 1.00 0.00 ATOM 596 C ASN 74 12.074 7.068 11.393 1.00 0.00 ATOM 597 N GLY 75 11.085 6.383 10.807 1.00 0.00 ATOM 598 CA GLY 75 9.697 6.867 10.799 1.00 0.00 ATOM 599 O GLY 75 8.710 9.005 10.280 1.00 0.00 ATOM 600 C GLY 75 9.482 8.103 9.914 1.00 0.00 ATOM 601 N TYR 76 10.175 8.158 8.777 1.00 0.00 ATOM 602 CA TYR 76 10.036 9.256 7.811 1.00 0.00 ATOM 603 CB TYR 76 11.386 9.761 7.298 1.00 0.00 ATOM 604 CG TYR 76 12.158 10.578 8.307 1.00 0.00 ATOM 605 CD1 TYR 76 13.112 9.984 9.124 1.00 0.00 ATOM 606 CD2 TYR 76 11.934 11.942 8.440 1.00 0.00 ATOM 607 CE1 TYR 76 13.823 10.722 10.050 1.00 0.00 ATOM 608 CE2 TYR 76 12.635 12.697 9.361 1.00 0.00 ATOM 609 CZ TYR 76 13.586 12.074 10.169 1.00 0.00 ATOM 610 OH TYR 76 14.293 12.813 11.090 1.00 0.00 ATOM 611 O TYR 76 9.585 7.555 6.213 1.00 0.00 ATOM 612 C TYR 76 9.239 8.633 6.680 1.00 0.00 ATOM 613 N PHE 77 8.109 9.277 6.312 1.00 0.00 ATOM 614 CA PHE 77 7.245 8.767 5.246 1.00 0.00 ATOM 615 CB PHE 77 5.945 9.533 5.238 1.00 0.00 ATOM 616 CG PHE 77 5.081 9.240 6.445 1.00 0.00 ATOM 617 CD1 PHE 77 5.456 9.664 7.714 1.00 0.00 ATOM 618 CD2 PHE 77 3.863 8.586 6.295 1.00 0.00 ATOM 619 CE1 PHE 77 4.639 9.451 8.820 1.00 0.00 ATOM 620 CE2 PHE 77 3.031 8.364 7.392 1.00 0.00 ATOM 621 CZ PHE 77 3.422 8.800 8.658 1.00 0.00 ATOM 622 O PHE 77 8.776 9.967 3.828 1.00 0.00 ATOM 623 C PHE 77 7.948 9.038 3.922 1.00 0.00 ATOM 624 N ILE 78 7.679 8.255 2.984 1.00 0.00 ATOM 625 CA ILE 78 8.325 8.236 1.667 1.00 0.00 ATOM 626 CB ILE 78 8.019 6.971 0.789 1.00 0.00 ATOM 627 CG1 ILE 78 8.636 5.753 1.520 1.00 0.00 ATOM 628 CG2 ILE 78 8.719 6.993 -0.579 1.00 0.00 ATOM 629 CD1 ILE 78 7.990 4.440 1.088 1.00 0.00 ATOM 630 O ILE 78 8.863 10.186 0.371 1.00 0.00 ATOM 631 C ILE 78 7.989 9.540 0.944 1.00 0.00 ATOM 632 N TYR 79 6.648 9.927 0.994 1.00 0.00 ATOM 633 CA TYR 79 6.222 11.199 0.416 1.00 0.00 ATOM 634 CB TYR 79 4.905 11.642 1.316 1.00 0.00 ATOM 635 CG TYR 79 3.901 12.616 0.730 1.00 0.00 ATOM 636 CD1 TYR 79 2.800 12.172 0.005 1.00 0.00 ATOM 637 CD2 TYR 79 4.115 13.977 0.795 1.00 0.00 ATOM 638 CE1 TYR 79 1.929 13.064 -0.584 1.00 0.00 ATOM 639 CE2 TYR 79 3.253 14.869 0.192 1.00 0.00 ATOM 640 CZ TYR 79 2.161 14.415 -0.512 1.00 0.00 ATOM 641 OH TYR 79 1.272 15.278 -1.146 1.00 0.00 ATOM 642 O TYR 79 7.413 13.270 0.193 1.00 0.00 ATOM 643 C TYR 79 6.948 12.427 0.961 1.00 0.00 ATOM 644 N LYS 80 7.044 12.481 2.254 1.00 0.00 ATOM 645 CA LYS 80 7.765 13.564 2.920 1.00 0.00 ATOM 646 CB LYS 80 7.728 13.438 4.444 1.00 0.00 ATOM 647 CG LYS 80 8.385 14.596 5.179 1.00 0.00 ATOM 648 CD LYS 80 8.250 14.441 6.685 1.00 0.00 ATOM 649 CE LYS 80 8.950 15.574 7.421 1.00 0.00 ATOM 650 NZ LYS 80 8.846 15.422 8.898 1.00 0.00 ATOM 651 O LYS 80 9.783 14.601 2.120 1.00 0.00 ATOM 652 C LYS 80 9.243 13.568 2.499 1.00 0.00 ATOM 653 N MET 81 9.910 12.393 2.518 1.00 0.00 ATOM 654 CA MET 81 11.305 12.352 2.098 1.00 0.00 ATOM 655 CB MET 81 11.776 10.901 2.214 1.00 0.00 ATOM 656 CG MET 81 13.236 10.691 1.850 1.00 0.00 ATOM 657 SD MET 81 13.747 8.969 1.985 1.00 0.00 ATOM 658 CE MET 81 12.936 8.261 0.554 1.00 0.00 ATOM 659 O MET 81 12.535 13.351 0.304 1.00 0.00 ATOM 660 C MET 81 11.509 12.774 0.650 1.00 0.00 ATOM 661 N GLU 82 10.427 12.376 -0.260 1.00 0.00 ATOM 662 CA GLU 82 10.718 12.835 -1.607 1.00 0.00 ATOM 663 CB GLU 82 10.434 11.767 -2.658 1.00 0.00 ATOM 664 CG GLU 82 11.334 10.554 -2.530 1.00 0.00 ATOM 665 CD GLU 82 12.720 10.863 -3.019 1.00 0.00 ATOM 666 OE1 GLU 82 12.841 11.297 -4.188 1.00 0.00 ATOM 667 OE2 GLU 82 13.692 10.690 -2.258 1.00 0.00 ATOM 668 O GLU 82 10.083 14.607 -3.096 1.00 0.00 ATOM 669 C GLU 82 9.962 14.111 -1.977 1.00 0.00 ATOM 670 N GLY 83 9.220 14.655 -1.005 1.00 0.00 ATOM 671 CA GLY 83 8.457 15.869 -1.260 1.00 0.00 ATOM 672 O GLY 83 7.029 16.835 -2.953 1.00 0.00 ATOM 673 C GLY 83 7.387 15.806 -2.345 1.00 0.00 ATOM 674 N CYS 84 6.906 14.584 -2.620 1.00 0.00 ATOM 675 CA CYS 84 5.870 14.394 -3.638 1.00 0.00 ATOM 676 CB CYS 84 5.369 12.948 -3.627 1.00 0.00 ATOM 677 SG CYS 84 4.041 12.608 -4.807 1.00 0.00 ATOM 678 O CYS 84 4.239 15.402 -2.226 1.00 0.00 ATOM 679 C CYS 84 4.699 15.329 -3.376 1.00 0.00 ATOM 680 N ASN 85 4.181 15.987 -4.423 1.00 0.00 ATOM 681 CA ASN 85 3.126 16.974 -4.311 1.00 0.00 ATOM 682 CB ASN 85 3.046 17.793 -5.610 1.00 0.00 ATOM 683 CG ASN 85 4.272 18.664 -5.829 1.00 0.00 ATOM 684 ND2 ASN 85 4.494 19.099 -7.062 1.00 0.00 ATOM 685 OD1 ASN 85 5.007 18.946 -4.882 1.00 0.00 ATOM 686 O ASN 85 1.308 15.424 -4.593 1.00 0.00 ATOM 687 C ASN 85 1.790 16.335 -3.923 1.00 0.00 TER END