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 3 Fri Jul 21 08:12:46 2006 MODEL 3 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 11.354 -3.601 12.347 1.00 0.00 ATOM 2 CA MET 1 11.855 -4.348 13.518 1.00 0.00 ATOM 3 CB MET 1 11.650 -3.532 14.793 1.00 0.00 ATOM 4 CG MET 1 12.219 -4.175 16.050 1.00 0.00 ATOM 5 SD MET 1 11.998 -3.148 17.516 1.00 0.00 ATOM 6 CE MET 1 13.187 -1.847 17.201 1.00 0.00 ATOM 7 O MET 1 11.677 -6.721 13.177 1.00 0.00 ATOM 8 C MET 1 11.156 -5.711 13.634 1.00 0.00 ATOM 9 N GLN 2 9.853 -5.625 13.852 1.00 0.00 ATOM 10 CA GLN 2 9.053 -6.755 14.337 1.00 0.00 ATOM 11 CB GLN 2 8.294 -6.367 15.609 1.00 0.00 ATOM 12 CG GLN 2 9.186 -6.085 16.805 1.00 0.00 ATOM 13 CD GLN 2 8.392 -5.773 18.059 1.00 0.00 ATOM 14 OE1 GLN 2 7.954 -4.638 18.267 1.00 0.00 ATOM 15 NE2 GLN 2 8.205 -6.779 18.905 1.00 0.00 ATOM 16 O GLN 2 7.931 -8.454 13.082 1.00 0.00 ATOM 17 C GLN 2 8.045 -7.264 13.292 1.00 0.00 ATOM 18 N ILE 3 7.524 -6.320 12.509 1.00 0.00 ATOM 19 CA ILE 3 6.556 -6.579 11.445 1.00 0.00 ATOM 20 CB ILE 3 5.264 -5.928 11.937 1.00 0.00 ATOM 21 CG1 ILE 3 4.579 -6.817 12.982 1.00 0.00 ATOM 22 CG2 ILE 3 4.341 -5.677 10.781 1.00 0.00 ATOM 23 CD1 ILE 3 3.415 -6.126 13.698 1.00 0.00 ATOM 24 O ILE 3 7.615 -4.845 10.270 1.00 0.00 ATOM 25 C ILE 3 7.044 -5.929 10.144 1.00 0.00 ATOM 26 N HIS 4 6.601 -6.509 9.015 1.00 0.00 ATOM 27 CA HIS 4 6.691 -5.892 7.684 1.00 0.00 ATOM 28 CB HIS 4 6.840 -6.964 6.599 1.00 0.00 ATOM 29 CG HIS 4 7.351 -6.435 5.296 1.00 0.00 ATOM 30 CD2 HIS 4 8.608 -6.158 4.876 1.00 0.00 ATOM 31 ND1 HIS 4 6.518 -6.128 4.240 1.00 0.00 ATOM 32 CE1 HIS 4 7.242 -5.684 3.227 1.00 0.00 ATOM 33 NE2 HIS 4 8.512 -5.693 3.588 1.00 0.00 ATOM 34 O HIS 4 4.366 -5.281 7.741 1.00 0.00 ATOM 35 C HIS 4 5.489 -5.008 7.343 1.00 0.00 ATOM 36 N VAL 5 5.759 -3.961 6.559 1.00 0.00 ATOM 37 CA VAL 5 4.694 -3.026 6.133 1.00 0.00 ATOM 38 CB VAL 5 4.985 -1.573 6.498 1.00 0.00 ATOM 39 CG1 VAL 5 3.856 -0.620 6.091 1.00 0.00 ATOM 40 CG2 VAL 5 5.045 -1.445 8.003 1.00 0.00 ATOM 41 O VAL 5 5.450 -3.083 3.859 1.00 0.00 ATOM 42 C VAL 5 4.486 -3.066 4.616 1.00 0.00 ATOM 43 N TYR 6 3.234 -3.104 4.231 1.00 0.00 ATOM 44 CA TYR 6 2.886 -2.809 2.835 1.00 0.00 ATOM 45 CB TYR 6 2.104 -3.972 2.220 1.00 0.00 ATOM 46 CG TYR 6 2.908 -5.246 2.084 1.00 0.00 ATOM 47 CD1 TYR 6 2.928 -6.189 3.102 1.00 0.00 ATOM 48 CD2 TYR 6 3.642 -5.503 0.936 1.00 0.00 ATOM 49 CE1 TYR 6 3.660 -7.353 2.982 1.00 0.00 ATOM 50 CE2 TYR 6 4.378 -6.666 0.806 1.00 0.00 ATOM 51 CZ TYR 6 4.385 -7.589 1.831 1.00 0.00 ATOM 52 OH TYR 6 5.114 -8.749 1.706 1.00 0.00 ATOM 53 O TYR 6 1.139 -1.373 3.603 1.00 0.00 ATOM 54 C TYR 6 2.077 -1.502 2.822 1.00 0.00 ATOM 55 N ASP 7 2.586 -0.504 2.103 1.00 0.00 ATOM 56 CA ASP 7 1.924 0.817 2.109 1.00 0.00 ATOM 57 CB ASP 7 2.930 1.919 2.451 1.00 0.00 ATOM 58 CG ASP 7 2.323 3.312 2.559 1.00 0.00 ATOM 59 OD1 ASP 7 1.149 3.449 2.309 1.00 0.00 ATOM 60 OD2 ASP 7 2.994 4.194 3.039 1.00 0.00 ATOM 61 O ASP 7 2.034 1.478 -0.084 1.00 0.00 ATOM 62 C ASP 7 1.265 1.108 0.773 1.00 0.00 ATOM 63 N THR 8 -0.017 1.407 0.751 1.00 0.00 ATOM 64 CA THR 8 -0.649 1.927 -0.487 1.00 0.00 ATOM 65 CB THR 8 -1.322 0.765 -1.230 1.00 0.00 ATOM 66 CG2 THR 8 -2.437 0.208 -0.389 1.00 0.00 ATOM 67 OG1 THR 8 -1.861 1.164 -2.481 1.00 0.00 ATOM 68 O THR 8 -1.470 3.672 0.937 1.00 0.00 ATOM 69 C THR 8 -1.546 3.132 -0.162 1.00 0.00 ATOM 70 N TYR 9 -2.538 3.444 -0.996 1.00 0.00 ATOM 71 CA TYR 9 -3.411 4.594 -0.725 1.00 0.00 ATOM 72 CB TYR 9 -2.712 5.899 -1.111 1.00 0.00 ATOM 73 CG TYR 9 -2.376 6.004 -2.583 1.00 0.00 ATOM 74 CD1 TYR 9 -3.270 6.568 -3.480 1.00 0.00 ATOM 75 CD2 TYR 9 -1.164 5.538 -3.068 1.00 0.00 ATOM 76 CE1 TYR 9 -2.969 6.665 -4.825 1.00 0.00 ATOM 77 CE2 TYR 9 -0.851 5.630 -4.411 1.00 0.00 ATOM 78 CZ TYR 9 -1.756 6.195 -5.287 1.00 0.00 ATOM 79 OH TYR 9 -1.448 6.290 -6.624 1.00 0.00 ATOM 80 O TYR 9 -4.869 4.059 -2.557 1.00 0.00 ATOM 81 C TYR 9 -4.761 4.547 -1.437 1.00 0.00 ATOM 82 N VAL 10 -5.721 5.245 -0.885 1.00 0.00 ATOM 83 CA VAL 10 -7.017 5.418 -1.540 1.00 0.00 ATOM 84 CB VAL 10 -8.080 4.507 -0.908 1.00 0.00 ATOM 85 CG1 VAL 10 -9.387 4.640 -1.690 1.00 0.00 ATOM 86 CG2 VAL 10 -7.685 3.032 -0.934 1.00 0.00 ATOM 87 O VAL 10 -7.310 7.482 -0.345 1.00 0.00 ATOM 88 C VAL 10 -7.416 6.886 -1.411 1.00 0.00 ATOM 89 N LYS 11 -7.848 7.459 -2.519 1.00 0.00 ATOM 90 CA LYS 11 -8.348 8.844 -2.477 1.00 0.00 ATOM 91 CB LYS 11 -7.890 9.617 -3.714 1.00 0.00 ATOM 92 CG LYS 11 -8.297 11.084 -3.725 1.00 0.00 ATOM 93 CD LYS 11 -7.614 11.839 -4.856 1.00 0.00 ATOM 94 CE LYS 11 -8.231 11.498 -6.204 1.00 0.00 ATOM 95 NZ LYS 11 -7.592 12.252 -7.315 1.00 0.00 ATOM 96 O LYS 11 -10.580 8.290 -3.206 1.00 0.00 ATOM 97 C LYS 11 -9.872 8.837 -2.371 1.00 0.00 ATOM 98 N ALA 12 -10.365 9.475 -1.326 1.00 0.00 ATOM 99 CA ALA 12 -11.812 9.562 -1.102 1.00 0.00 ATOM 100 CB ALA 12 -12.105 10.280 0.206 1.00 0.00 ATOM 101 O ALA 12 -11.851 11.050 -2.986 1.00 0.00 ATOM 102 C ALA 12 -12.504 10.334 -2.224 1.00 0.00 ATOM 103 N LYS 13 -13.834 10.258 -2.232 1.00 0.00 ATOM 104 CA LYS 13 -14.636 10.967 -3.247 1.00 0.00 ATOM 105 CB LYS 13 -16.116 10.612 -3.104 1.00 0.00 ATOM 106 CG LYS 13 -16.461 9.181 -3.496 1.00 0.00 ATOM 107 CD LYS 13 -17.946 8.900 -3.315 1.00 0.00 ATOM 108 CE LYS 13 -18.292 7.473 -3.715 1.00 0.00 ATOM 109 NZ LYS 13 -19.736 7.174 -3.515 1.00 0.00 ATOM 110 O LYS 13 -14.620 13.210 -4.182 1.00 0.00 ATOM 111 C LYS 13 -14.492 12.495 -3.199 1.00 0.00 ATOM 112 N ASP 14 -14.182 13.013 -2.018 1.00 0.00 ATOM 113 CA ASP 14 -13.896 14.451 -1.834 1.00 0.00 ATOM 114 CB ASP 14 -14.267 14.895 -0.417 1.00 0.00 ATOM 115 CG ASP 14 -13.450 14.235 0.684 1.00 0.00 ATOM 116 OD1 ASP 14 -12.605 13.430 0.368 1.00 0.00 ATOM 117 OD2 ASP 14 -13.564 14.651 1.812 1.00 0.00 ATOM 118 O ASP 14 -12.052 16.001 -1.859 1.00 0.00 ATOM 119 C ASP 14 -12.428 14.847 -2.098 1.00 0.00 ATOM 120 N GLY 15 -11.636 13.900 -2.581 1.00 0.00 ATOM 121 CA GLY 15 -10.243 14.172 -2.961 1.00 0.00 ATOM 122 O GLY 15 -8.039 14.458 -2.142 1.00 0.00 ATOM 123 C GLY 15 -9.180 14.108 -1.851 1.00 0.00 ATOM 124 N HIS 16 -9.478 13.387 -0.781 1.00 0.00 ATOM 125 CA HIS 16 -8.501 13.181 0.311 1.00 0.00 ATOM 126 CB HIS 16 -9.184 13.293 1.678 1.00 0.00 ATOM 127 CG HIS 16 -8.249 13.118 2.834 1.00 0.00 ATOM 128 CD2 HIS 16 -8.078 12.087 3.694 1.00 0.00 ATOM 129 ND1 HIS 16 -7.343 14.087 3.211 1.00 0.00 ATOM 130 CE1 HIS 16 -6.656 13.658 4.256 1.00 0.00 ATOM 131 NE2 HIS 16 -7.082 12.448 4.567 1.00 0.00 ATOM 132 O HIS 16 -8.473 10.773 0.202 1.00 0.00 ATOM 133 C HIS 16 -7.818 11.826 0.171 1.00 0.00 ATOM 134 N VAL 17 -6.502 11.850 0.017 1.00 0.00 ATOM 135 CA VAL 17 -5.701 10.611 0.121 1.00 0.00 ATOM 136 CB VAL 17 -4.231 10.819 -0.257 1.00 0.00 ATOM 137 CG1 VAL 17 -3.359 9.567 -0.066 1.00 0.00 ATOM 138 CG2 VAL 17 -4.115 11.311 -1.694 1.00 0.00 ATOM 139 O VAL 17 -5.343 10.769 2.480 1.00 0.00 ATOM 140 C VAL 17 -5.762 10.086 1.554 1.00 0.00 ATOM 141 N MET 18 -5.962 8.781 1.616 1.00 0.00 ATOM 142 CA MET 18 -5.717 7.999 2.832 1.00 0.00 ATOM 143 CB MET 18 -6.979 7.238 3.233 1.00 0.00 ATOM 144 CG MET 18 -8.148 8.125 3.639 1.00 0.00 ATOM 145 SD MET 18 -9.633 7.181 4.035 1.00 0.00 ATOM 146 CE MET 18 -10.222 6.771 2.395 1.00 0.00 ATOM 147 O MET 18 -4.477 6.398 1.577 1.00 0.00 ATOM 148 C MET 18 -4.555 7.036 2.625 1.00 0.00 ATOM 149 N HIS 19 -3.582 7.179 3.500 1.00 0.00 ATOM 150 CA HIS 19 -2.418 6.277 3.539 1.00 0.00 ATOM 151 CB HIS 19 -1.261 6.919 4.312 1.00 0.00 ATOM 152 CG HIS 19 -0.705 8.143 3.654 1.00 0.00 ATOM 153 CD2 HIS 19 -0.880 9.458 3.925 1.00 0.00 ATOM 154 ND1 HIS 19 0.151 8.083 2.575 1.00 0.00 ATOM 155 CE1 HIS 19 0.478 9.311 2.208 1.00 0.00 ATOM 156 NE2 HIS 19 -0.134 10.162 3.011 1.00 0.00 ATOM 157 O HIS 19 -3.468 4.897 5.232 1.00 0.00 ATOM 158 C HIS 19 -2.823 4.939 4.175 1.00 0.00 ATOM 159 N PHE 20 -2.641 3.874 3.405 1.00 0.00 ATOM 160 CA PHE 20 -2.981 2.516 3.875 1.00 0.00 ATOM 161 CB PHE 20 -3.814 1.780 2.824 1.00 0.00 ATOM 162 CG PHE 20 -5.245 2.232 2.759 1.00 0.00 ATOM 163 CD1 PHE 20 -5.581 3.432 2.150 1.00 0.00 ATOM 164 CD2 PHE 20 -6.257 1.459 3.308 1.00 0.00 ATOM 165 CE1 PHE 20 -6.898 3.849 2.090 1.00 0.00 ATOM 166 CE2 PHE 20 -7.574 1.872 3.247 1.00 0.00 ATOM 167 CZ PHE 20 -7.895 3.069 2.638 1.00 0.00 ATOM 168 O PHE 20 -1.013 1.254 3.305 1.00 0.00 ATOM 169 C PHE 20 -1.714 1.716 4.205 1.00 0.00 ATOM 170 N ASP 21 -1.636 1.336 5.474 1.00 0.00 ATOM 171 CA ASP 21 -0.498 0.562 5.996 1.00 0.00 ATOM 172 CB ASP 21 0.179 1.325 7.139 1.00 0.00 ATOM 173 CG ASP 21 0.793 2.623 6.640 1.00 0.00 ATOM 174 OD1 ASP 21 1.617 2.495 5.721 1.00 0.00 ATOM 175 OD2 ASP 21 0.483 3.663 7.243 1.00 0.00 ATOM 176 O ASP 21 -1.949 -0.814 7.281 1.00 0.00 ATOM 177 C ASP 21 -0.982 -0.770 6.531 1.00 0.00 ATOM 178 N VAL 22 -0.386 -1.838 6.013 1.00 0.00 ATOM 179 CA VAL 22 -0.592 -3.203 6.537 1.00 0.00 ATOM 180 CB VAL 22 -1.004 -4.181 5.421 1.00 0.00 ATOM 181 CG1 VAL 22 -1.167 -5.588 5.978 1.00 0.00 ATOM 182 CG2 VAL 22 -2.294 -3.721 4.759 1.00 0.00 ATOM 183 O VAL 22 1.718 -3.830 6.527 1.00 0.00 ATOM 184 C VAL 22 0.709 -3.649 7.200 1.00 0.00 ATOM 185 N PHE 23 0.561 -4.063 8.446 1.00 0.00 ATOM 186 CA PHE 23 1.656 -4.638 9.217 1.00 0.00 ATOM 187 CB PHE 23 1.702 -3.968 10.600 1.00 0.00 ATOM 188 CG PHE 23 2.271 -2.554 10.578 1.00 0.00 ATOM 189 CD1 PHE 23 3.614 -2.221 10.764 1.00 0.00 ATOM 190 CD2 PHE 23 1.316 -1.565 10.512 1.00 0.00 ATOM 191 CE1 PHE 23 3.981 -0.886 10.864 1.00 0.00 ATOM 192 CE2 PHE 23 1.675 -0.228 10.602 1.00 0.00 ATOM 193 CZ PHE 23 3.009 0.097 10.774 1.00 0.00 ATOM 194 O PHE 23 0.362 -6.577 9.797 1.00 0.00 ATOM 195 C PHE 23 1.425 -6.156 9.361 1.00 0.00 ATOM 196 N THR 24 2.415 -6.927 8.938 1.00 0.00 ATOM 197 CA THR 24 2.366 -8.391 9.045 1.00 0.00 ATOM 198 CB THR 24 2.280 -9.055 7.658 1.00 0.00 ATOM 199 CG2 THR 24 1.025 -8.603 6.927 1.00 0.00 ATOM 200 OG1 THR 24 3.434 -8.702 6.883 1.00 0.00 ATOM 201 O THR 24 4.739 -8.607 9.563 1.00 0.00 ATOM 202 C THR 24 3.579 -8.983 9.782 1.00 0.00 ATOM 203 N ASP 25 3.230 -9.843 10.725 1.00 0.00 ATOM 204 CA ASP 25 4.157 -10.641 11.550 1.00 0.00 ATOM 205 CB ASP 25 3.764 -10.500 13.020 1.00 0.00 ATOM 206 CG ASP 25 4.671 -11.276 13.986 1.00 0.00 ATOM 207 OD1 ASP 25 5.609 -11.968 13.517 1.00 0.00 ATOM 208 OD2 ASP 25 4.358 -11.179 15.191 1.00 0.00 ATOM 209 O ASP 25 2.918 -12.699 11.351 1.00 0.00 ATOM 210 C ASP 25 3.983 -12.114 11.160 1.00 0.00 ATOM 211 N VAL 26 4.927 -12.652 10.390 1.00 0.00 ATOM 212 CA VAL 26 4.847 -14.051 9.927 1.00 0.00 ATOM 213 CB VAL 26 4.478 -14.151 8.439 1.00 0.00 ATOM 214 CG1 VAL 26 3.086 -13.598 8.152 1.00 0.00 ATOM 215 CG2 VAL 26 5.450 -13.410 7.540 1.00 0.00 ATOM 216 O VAL 26 7.195 -14.294 10.414 1.00 0.00 ATOM 217 C VAL 26 6.118 -14.840 10.218 1.00 0.00 ATOM 218 N ARG 27 5.955 -16.149 10.157 1.00 0.00 ATOM 219 CA ARG 27 7.057 -17.128 10.178 1.00 0.00 ATOM 220 CB ARG 27 6.551 -18.561 10.246 1.00 0.00 ATOM 221 CG ARG 27 5.930 -18.958 11.577 1.00 0.00 ATOM 222 CD ARG 27 5.394 -20.343 11.613 1.00 0.00 ATOM 223 NE ARG 27 4.763 -20.712 12.870 1.00 0.00 ATOM 224 CZ ARG 27 4.158 -21.891 13.105 1.00 0.00 ATOM 225 NH1 ARG 27 4.066 -22.805 12.164 1.00 0.00 ATOM 226 NH2 ARG 27 3.637 -22.100 14.302 1.00 0.00 ATOM 227 O ARG 27 9.188 -17.179 9.057 1.00 0.00 ATOM 228 C ARG 27 7.998 -16.904 8.975 1.00 0.00 ATOM 229 N ASP 28 7.359 -16.762 7.818 1.00 0.00 ATOM 230 CA ASP 28 7.989 -16.530 6.510 1.00 0.00 ATOM 231 CB ASP 28 8.139 -17.847 5.745 1.00 0.00 ATOM 232 CG ASP 28 8.912 -17.731 4.439 1.00 0.00 ATOM 233 OD1 ASP 28 9.278 -16.637 4.082 1.00 0.00 ATOM 234 OD2 ASP 28 9.266 -18.748 3.889 1.00 0.00 ATOM 235 O ASP 28 5.897 -15.735 5.683 1.00 0.00 ATOM 236 C ASP 28 7.126 -15.519 5.740 1.00 0.00 ATOM 237 N ASP 29 7.745 -14.492 5.165 1.00 0.00 ATOM 238 CA ASP 29 7.045 -13.386 4.471 1.00 0.00 ATOM 239 CB ASP 29 8.047 -12.327 4.004 1.00 0.00 ATOM 240 CG ASP 29 7.412 -11.022 3.543 1.00 0.00 ATOM 241 OD1 ASP 29 6.711 -10.419 4.320 1.00 0.00 ATOM 242 OD2 ASP 29 7.757 -10.560 2.482 1.00 0.00 ATOM 243 O ASP 29 5.393 -12.934 2.791 1.00 0.00 ATOM 244 C ASP 29 6.189 -13.756 3.252 1.00 0.00 ATOM 245 N LYS 30 6.130 -15.058 2.943 1.00 0.00 ATOM 246 CA LYS 30 5.382 -15.575 1.778 1.00 0.00 ATOM 247 CB LYS 30 5.622 -17.076 1.609 1.00 0.00 ATOM 248 CG LYS 30 4.765 -17.734 0.537 1.00 0.00 ATOM 249 CD LYS 30 5.118 -19.205 0.371 1.00 0.00 ATOM 250 CE LYS 30 4.242 -19.869 -0.680 1.00 0.00 ATOM 251 NZ LYS 30 4.564 -21.314 -0.840 1.00 0.00 ATOM 252 O LYS 30 3.219 -14.779 1.027 1.00 0.00 ATOM 253 C LYS 30 3.884 -15.280 1.939 1.00 0.00 ATOM 254 N LYS 31 3.411 -15.462 3.174 1.00 0.00 ATOM 255 CA LYS 31 2.004 -15.227 3.527 1.00 0.00 ATOM 256 CB LYS 31 1.718 -15.638 4.968 1.00 0.00 ATOM 257 CG LYS 31 1.769 -17.154 5.123 1.00 0.00 ATOM 258 CD LYS 31 1.438 -17.518 6.562 1.00 0.00 ATOM 259 CE LYS 31 1.458 -19.027 6.715 1.00 0.00 ATOM 260 NZ LYS 31 1.252 -19.376 8.119 1.00 0.00 ATOM 261 O LYS 31 0.614 -13.408 2.718 1.00 0.00 ATOM 262 C LYS 31 1.605 -13.752 3.355 1.00 0.00 ATOM 263 N ALA 32 2.442 -12.884 3.908 1.00 0.00 ATOM 264 CA ALA 32 2.225 -11.445 3.766 1.00 0.00 ATOM 265 CB ALA 32 3.356 -10.775 4.462 1.00 0.00 ATOM 266 O ALA 32 1.533 -10.045 1.975 1.00 0.00 ATOM 267 C ALA 32 2.263 -10.970 2.316 1.00 0.00 ATOM 268 N ILE 33 3.064 -11.638 1.495 1.00 0.00 ATOM 269 CA ILE 33 3.161 -11.275 0.062 1.00 0.00 ATOM 270 CB ILE 33 4.298 -12.052 -0.619 1.00 0.00 ATOM 271 CG1 ILE 33 5.618 -11.579 0.011 1.00 0.00 ATOM 272 CG2 ILE 33 4.334 -11.778 -2.136 1.00 0.00 ATOM 273 CD1 ILE 33 6.808 -12.504 -0.204 1.00 0.00 ATOM 274 O ILE 33 1.306 -10.595 -1.315 1.00 0.00 ATOM 275 C ILE 33 1.815 -11.495 -0.625 1.00 0.00 ATOM 276 N GLU 34 1.186 -12.630 -0.354 1.00 0.00 ATOM 277 CA GLU 34 -0.154 -12.921 -0.893 1.00 0.00 ATOM 278 CB GLU 34 -0.574 -14.350 -0.541 1.00 0.00 ATOM 279 CG GLU 34 0.196 -15.432 -1.283 1.00 0.00 ATOM 280 CD GLU 34 -0.183 -16.803 -0.796 1.00 0.00 ATOM 281 OE1 GLU 34 -0.956 -16.893 0.128 1.00 0.00 ATOM 282 OE2 GLU 34 0.211 -17.762 -1.417 1.00 0.00 ATOM 283 O GLU 34 -1.942 -11.321 -1.148 1.00 0.00 ATOM 284 C GLU 34 -1.199 -11.923 -0.370 1.00 0.00 ATOM 285 N PHE 35 -1.077 -11.602 0.913 1.00 0.00 ATOM 286 CA PHE 35 -1.926 -10.590 1.554 1.00 0.00 ATOM 287 CB PHE 35 -1.620 -10.492 3.056 1.00 0.00 ATOM 288 CG PHE 35 -2.032 -11.742 3.830 1.00 0.00 ATOM 289 CD1 PHE 35 -2.893 -12.701 3.291 1.00 0.00 ATOM 290 CD2 PHE 35 -1.530 -11.905 5.113 1.00 0.00 ATOM 291 CE1 PHE 35 -3.240 -13.816 4.017 1.00 0.00 ATOM 292 CE2 PHE 35 -1.886 -13.032 5.844 1.00 0.00 ATOM 293 CZ PHE 35 -2.738 -13.978 5.299 1.00 0.00 ATOM 294 O PHE 35 -2.774 -8.570 0.568 1.00 0.00 ATOM 295 C PHE 35 -1.780 -9.204 0.925 1.00 0.00 ATOM 296 N ALA 36 -0.528 -8.837 0.704 1.00 0.00 ATOM 297 CA ALA 36 -0.185 -7.537 0.103 1.00 0.00 ATOM 298 CB ALA 36 1.328 -7.365 0.115 1.00 0.00 ATOM 299 O ALA 36 -1.257 -6.328 -1.668 1.00 0.00 ATOM 300 C ALA 36 -0.718 -7.383 -1.321 1.00 0.00 ATOM 301 N LYS 37 -0.704 -8.481 -2.087 1.00 0.00 ATOM 302 CA LYS 37 -1.209 -8.468 -3.474 1.00 0.00 ATOM 303 CB LYS 37 -0.882 -9.788 -4.176 1.00 0.00 ATOM 304 CG LYS 37 -1.316 -9.849 -5.634 1.00 0.00 ATOM 305 CD LYS 37 -0.881 -11.154 -6.285 1.00 0.00 ATOM 306 CE LYS 37 -1.340 -11.230 -7.734 1.00 0.00 ATOM 307 NZ LYS 37 -0.941 -12.510 -8.378 1.00 0.00 ATOM 308 O LYS 37 -3.206 -7.366 -4.236 1.00 0.00 ATOM 309 C LYS 37 -2.720 -8.211 -3.492 1.00 0.00 ATOM 310 N GLN 38 -3.423 -8.854 -2.557 1.00 0.00 ATOM 311 CA GLN 38 -4.878 -8.674 -2.413 1.00 0.00 ATOM 312 CB GLN 38 -5.430 -9.614 -1.338 1.00 0.00 ATOM 313 CG GLN 38 -5.429 -11.080 -1.733 1.00 0.00 ATOM 314 CD GLN 38 -5.868 -11.986 -0.598 1.00 0.00 ATOM 315 OE1 GLN 38 -6.093 -11.531 0.527 1.00 0.00 ATOM 316 NE2 GLN 38 -5.989 -13.277 -0.885 1.00 0.00 ATOM 317 O GLN 38 -6.134 -6.653 -2.701 1.00 0.00 ATOM 318 C GLN 38 -5.254 -7.232 -2.059 1.00 0.00 ATOM 319 N TRP 39 -4.499 -6.662 -1.129 1.00 0.00 ATOM 320 CA TRP 39 -4.709 -5.286 -0.682 1.00 0.00 ATOM 321 CB TRP 39 -3.846 -4.987 0.546 1.00 0.00 ATOM 322 CG TRP 39 -4.489 -5.385 1.840 1.00 0.00 ATOM 323 CD1 TRP 39 -4.137 -6.432 2.637 1.00 0.00 ATOM 324 CD2 TRP 39 -5.594 -4.741 2.486 1.00 0.00 ATOM 325 CE2 TRP 39 -5.857 -5.454 3.671 1.00 0.00 ATOM 326 CE3 TRP 39 -6.386 -3.629 2.178 1.00 0.00 ATOM 327 NE1 TRP 39 -4.953 -6.483 3.739 1.00 0.00 ATOM 328 CZ2 TRP 39 -6.872 -5.096 4.543 1.00 0.00 ATOM 329 CZ3 TRP 39 -7.405 -3.270 3.053 1.00 0.00 ATOM 330 CH2 TRP 39 -7.640 -3.982 4.202 1.00 0.00 ATOM 331 O TRP 39 -5.274 -3.459 -2.057 1.00 0.00 ATOM 332 C TRP 39 -4.404 -4.277 -1.775 1.00 0.00 ATOM 333 N LEU 40 -3.291 -4.434 -2.483 1.00 0.00 ATOM 334 CA LEU 40 -2.934 -3.529 -3.590 1.00 0.00 ATOM 335 CB LEU 40 -1.588 -3.942 -4.199 1.00 0.00 ATOM 336 CG LEU 40 -0.365 -3.700 -3.306 1.00 0.00 ATOM 337 CD1 LEU 40 0.903 -4.138 -4.026 1.00 0.00 ATOM 338 CD2 LEU 40 -0.292 -2.226 -2.933 1.00 0.00 ATOM 339 O LEU 40 -4.506 -2.432 -5.028 1.00 0.00 ATOM 340 C LEU 40 -4.006 -3.491 -4.686 1.00 0.00 ATOM 341 N SER 41 -4.500 -4.678 -5.010 1.00 0.00 ATOM 342 CA SER 41 -5.613 -4.851 -5.961 1.00 0.00 ATOM 343 CB SER 41 -5.890 -6.325 -6.178 1.00 0.00 ATOM 344 OG SER 41 -4.831 -6.970 -6.829 1.00 0.00 ATOM 345 O SER 41 -7.448 -3.315 -6.198 1.00 0.00 ATOM 346 C SER 41 -6.879 -4.141 -5.481 1.00 0.00 ATOM 347 N SER 42 -7.252 -4.428 -4.234 1.00 0.00 ATOM 348 CA SER 42 -8.423 -3.796 -3.577 1.00 0.00 ATOM 349 CB SER 42 -8.626 -4.383 -2.194 1.00 0.00 ATOM 350 OG SER 42 -8.985 -5.736 -2.243 1.00 0.00 ATOM 351 O SER 42 -9.166 -1.510 -3.788 1.00 0.00 ATOM 352 C SER 42 -8.263 -2.276 -3.488 1.00 0.00 ATOM 353 N ILE 43 -7.037 -1.868 -3.169 1.00 0.00 ATOM 354 CA ILE 43 -6.695 -0.448 -3.088 1.00 0.00 ATOM 355 CB ILE 43 -5.373 -0.291 -2.328 1.00 0.00 ATOM 356 CG1 ILE 43 -5.474 -0.836 -0.884 1.00 0.00 ATOM 357 CG2 ILE 43 -4.929 1.170 -2.351 1.00 0.00 ATOM 358 CD1 ILE 43 -6.493 -0.225 0.087 1.00 0.00 ATOM 359 O ILE 43 -7.327 1.366 -4.485 1.00 0.00 ATOM 360 C ILE 43 -6.772 0.271 -4.451 1.00 0.00 ATOM 361 N GLY 44 -6.439 -0.416 -5.548 1.00 0.00 ATOM 362 CA GLY 44 -6.369 0.211 -6.888 1.00 0.00 ATOM 363 O GLY 44 -4.740 1.098 -8.406 1.00 0.00 ATOM 364 C GLY 44 -4.953 0.363 -7.435 1.00 0.00 ATOM 365 N GLU 45 -4.035 -0.439 -6.914 1.00 0.00 ATOM 366 CA GLU 45 -2.643 -0.444 -7.392 1.00 0.00 ATOM 367 CB GLU 45 -1.671 -0.465 -6.210 1.00 0.00 ATOM 368 CG GLU 45 -1.660 0.811 -5.381 1.00 0.00 ATOM 369 CD GLU 45 -1.179 1.984 -6.190 1.00 0.00 ATOM 370 OE1 GLU 45 -0.112 1.897 -6.749 1.00 0.00 ATOM 371 OE2 GLU 45 -1.925 2.921 -6.342 1.00 0.00 ATOM 372 O GLU 45 -2.820 -2.754 -8.007 1.00 0.00 ATOM 373 C GLU 45 -2.398 -1.639 -8.306 1.00 0.00 ATOM 374 N GLU 46 -1.797 -1.339 -9.452 1.00 0.00 ATOM 375 CA GLU 46 -1.485 -2.381 -10.442 1.00 0.00 ATOM 376 CB GLU 46 -1.058 -1.748 -11.768 1.00 0.00 ATOM 377 CG GLU 46 -0.874 -2.741 -12.907 1.00 0.00 ATOM 378 CD GLU 46 -0.468 -2.047 -14.177 1.00 0.00 ATOM 379 OE1 GLU 46 -0.417 -0.840 -14.182 1.00 0.00 ATOM 380 OE2 GLU 46 -0.100 -2.723 -15.109 1.00 0.00 ATOM 381 O GLU 46 0.803 -2.993 -9.929 1.00 0.00 ATOM 382 C GLU 46 -0.383 -3.288 -9.868 1.00 0.00 ATOM 383 N GLY 47 -0.833 -4.360 -9.235 1.00 0.00 ATOM 384 CA GLY 47 0.043 -5.351 -8.573 1.00 0.00 ATOM 385 O GLY 47 2.314 -6.009 -8.952 1.00 0.00 ATOM 386 C GLY 47 1.208 -5.807 -9.464 1.00 0.00 ATOM 387 N ALA 48 0.969 -5.812 -10.775 1.00 0.00 ATOM 388 CA ALA 48 1.981 -6.206 -11.779 1.00 0.00 ATOM 389 CB ALA 48 1.314 -6.324 -13.147 1.00 0.00 ATOM 390 O ALA 48 4.307 -5.733 -12.148 1.00 0.00 ATOM 391 C ALA 48 3.205 -5.280 -11.878 1.00 0.00 ATOM 392 N THR 49 2.992 -4.004 -11.564 1.00 0.00 ATOM 393 CA THR 49 4.087 -3.012 -11.586 1.00 0.00 ATOM 394 CB THR 49 3.563 -1.599 -11.899 1.00 0.00 ATOM 395 CG2 THR 49 2.863 -1.576 -13.249 1.00 0.00 ATOM 396 OG1 THR 49 2.640 -1.191 -10.881 1.00 0.00 ATOM 397 O THR 49 5.908 -2.311 -10.159 1.00 0.00 ATOM 398 C THR 49 4.866 -2.953 -10.253 1.00 0.00 ATOM 399 N VAL 50 4.298 -3.565 -9.212 1.00 0.00 ATOM 400 CA VAL 50 4.948 -3.636 -7.888 1.00 0.00 ATOM 401 CB VAL 50 3.915 -3.577 -6.748 1.00 0.00 ATOM 402 CG1 VAL 50 4.613 -3.580 -5.395 1.00 0.00 ATOM 403 CG2 VAL 50 3.036 -2.344 -6.888 1.00 0.00 ATOM 404 O VAL 50 6.933 -4.917 -7.439 1.00 0.00 ATOM 405 C VAL 50 5.758 -4.929 -7.809 1.00 0.00 ATOM 406 N THR 51 5.047 -6.032 -8.007 1.00 0.00 ATOM 407 CA THR 51 5.660 -7.356 -8.103 1.00 0.00 ATOM 408 CB THR 51 5.328 -8.223 -6.876 1.00 0.00 ATOM 409 CG2 THR 51 5.722 -7.506 -5.593 1.00 0.00 ATOM 410 OG1 THR 51 3.922 -8.502 -6.850 1.00 0.00 ATOM 411 O THR 51 4.271 -7.565 -10.066 1.00 0.00 ATOM 412 C THR 51 5.168 -8.045 -9.394 1.00 0.00 ATOM 413 N SER 52 5.646 -9.261 -9.610 1.00 0.00 ATOM 414 CA SER 52 5.239 -10.093 -10.754 1.00 0.00 ATOM 415 CB SER 52 6.441 -10.819 -11.325 1.00 0.00 ATOM 416 OG SER 52 6.083 -11.703 -12.352 1.00 0.00 ATOM 417 O SER 52 4.375 -12.063 -9.656 1.00 0.00 ATOM 418 C SER 52 4.155 -11.116 -10.417 1.00 0.00 ATOM 419 N GLU 53 3.104 -11.093 -11.212 1.00 0.00 ATOM 420 CA GLU 53 2.074 -12.152 -11.182 1.00 0.00 ATOM 421 CB GLU 53 0.874 -11.758 -12.045 1.00 0.00 ATOM 422 CG GLU 53 0.037 -10.621 -11.476 1.00 0.00 ATOM 423 CD GLU 53 -1.071 -10.235 -12.416 1.00 0.00 ATOM 424 OE1 GLU 53 -1.139 -10.793 -13.485 1.00 0.00 ATOM 425 OE2 GLU 53 -1.917 -9.466 -12.023 1.00 0.00 ATOM 426 O GLU 53 2.044 -14.562 -11.234 1.00 0.00 ATOM 427 C GLU 53 2.591 -13.535 -11.650 1.00 0.00 ATOM 428 N GLU 54 3.661 -13.552 -12.437 1.00 0.00 ATOM 429 CA GLU 54 4.284 -14.790 -12.968 1.00 0.00 ATOM 430 CB GLU 54 5.036 -14.496 -14.268 1.00 0.00 ATOM 431 CG GLU 54 4.144 -14.101 -15.436 1.00 0.00 ATOM 432 CD GLU 54 4.957 -13.775 -16.658 1.00 0.00 ATOM 433 OE1 GLU 54 6.161 -13.810 -16.575 1.00 0.00 ATOM 434 OE2 GLU 54 4.376 -13.601 -17.704 1.00 0.00 ATOM 435 O GLU 54 5.275 -16.679 -11.856 1.00 0.00 ATOM 436 C GLU 54 5.239 -15.459 -11.988 1.00 0.00 ATOM 437 N CYS 55 6.032 -14.646 -11.288 1.00 0.00 ATOM 438 CA CYS 55 7.081 -15.202 -10.413 1.00 0.00 ATOM 439 CB CYS 55 8.370 -14.368 -10.332 1.00 0.00 ATOM 440 SG CYS 55 9.660 -15.597 -9.870 1.00 0.00 ATOM 441 O CYS 55 6.778 -14.833 -8.034 1.00 0.00 ATOM 442 C CYS 55 6.508 -15.501 -9.023 1.00 0.00 ATOM 443 N ARG 56 5.636 -16.494 -9.009 1.00 0.00 ATOM 444 CA ARG 56 4.967 -16.963 -7.772 1.00 0.00 ATOM 445 CB ARG 56 3.766 -17.848 -8.069 1.00 0.00 ATOM 446 CG ARG 56 2.565 -17.122 -8.653 1.00 0.00 ATOM 447 CD ARG 56 1.427 -18.009 -9.008 1.00 0.00 ATOM 448 NE ARG 56 0.279 -17.317 -9.573 1.00 0.00 ATOM 449 CZ ARG 56 -0.827 -17.928 -10.041 1.00 0.00 ATOM 450 NH1 ARG 56 -0.925 -19.239 -10.050 1.00 0.00 ATOM 451 NH2 ARG 56 -1.803 -17.174 -10.515 1.00 0.00 ATOM 452 O ARG 56 6.053 -17.304 -5.652 1.00 0.00 ATOM 453 C ARG 56 5.950 -17.660 -6.828 1.00 0.00 ATOM 454 N PHE 57 6.853 -18.437 -7.429 1.00 0.00 ATOM 455 CA PHE 57 8.003 -18.996 -6.689 1.00 0.00 ATOM 456 CB PHE 57 8.840 -19.893 -7.603 1.00 0.00 ATOM 457 CG PHE 57 10.053 -20.475 -6.934 1.00 0.00 ATOM 458 CD1 PHE 57 9.939 -21.574 -6.096 1.00 0.00 ATOM 459 CD2 PHE 57 11.308 -19.924 -7.140 1.00 0.00 ATOM 460 CE1 PHE 57 11.055 -22.110 -5.479 1.00 0.00 ATOM 461 CE2 PHE 57 12.425 -20.459 -6.527 1.00 0.00 ATOM 462 CZ PHE 57 12.297 -21.553 -5.696 1.00 0.00 ATOM 463 O PHE 57 9.303 -18.060 -4.951 1.00 0.00 ATOM 464 C PHE 57 8.885 -17.914 -6.093 1.00 0.00 ATOM 465 N CYS 58 9.229 -16.940 -6.920 1.00 0.00 ATOM 466 CA CYS 58 9.986 -15.758 -6.445 1.00 0.00 ATOM 467 CB CYS 58 10.395 -14.700 -7.440 1.00 0.00 ATOM 468 SG CYS 58 11.385 -15.238 -8.853 1.00 0.00 ATOM 469 O CYS 58 9.745 -13.927 -4.944 1.00 0.00 ATOM 470 C CYS 58 9.206 -14.891 -5.461 1.00 0.00 ATOM 471 N HIS 59 7.908 -14.984 -5.470 1.00 0.00 ATOM 472 CA HIS 59 7.186 -14.472 -4.297 1.00 0.00 ATOM 473 CB HIS 59 5.703 -14.246 -4.654 1.00 0.00 ATOM 474 CG HIS 59 5.338 -13.089 -5.611 1.00 0.00 ATOM 475 CD2 HIS 59 6.117 -12.406 -6.464 1.00 0.00 ATOM 476 ND1 HIS 59 4.092 -12.643 -5.777 1.00 0.00 ATOM 477 CE1 HIS 59 4.104 -11.730 -6.731 1.00 0.00 ATOM 478 NE2 HIS 59 5.349 -11.563 -7.145 1.00 0.00 ATOM 479 O HIS 59 7.148 -14.730 -1.941 1.00 0.00 ATOM 480 C HIS 59 7.518 -15.251 -2.976 1.00 0.00 ATOM 481 N SER 60 7.961 -16.545 -3.031 1.00 0.00 ATOM 482 CA SER 60 8.622 -17.548 -2.040 1.00 0.00 ATOM 483 CB SER 60 7.803 -18.830 -2.519 1.00 0.00 ATOM 484 OG SER 60 6.394 -18.921 -2.978 1.00 0.00 ATOM 485 O SER 60 9.697 -16.606 -0.511 1.00 0.00 ATOM 486 C SER 60 10.117 -17.466 -1.230 1.00 0.00 ATOM 487 N GLN 61 11.528 -17.862 -0.896 1.00 0.00 ATOM 488 CA GLN 61 12.997 -17.607 -0.239 1.00 0.00 ATOM 489 CB GLN 61 13.807 -18.905 -0.217 1.00 0.00 ATOM 490 CG GLN 61 13.239 -19.979 0.696 1.00 0.00 ATOM 491 CD GLN 61 13.434 -19.649 2.165 1.00 0.00 ATOM 492 OE1 GLN 61 14.518 -19.237 2.586 1.00 0.00 ATOM 493 NE2 GLN 61 12.383 -19.835 2.956 1.00 0.00 ATOM 494 O GLN 61 14.529 -15.608 -0.067 1.00 0.00 ATOM 495 C GLN 61 14.129 -16.569 -0.724 1.00 0.00 ATOM 496 N LYS 62 14.804 -16.872 -1.843 1.00 0.00 ATOM 497 CA LYS 62 15.407 -15.854 -2.746 1.00 0.00 ATOM 498 CB LYS 62 15.950 -16.517 -4.013 1.00 0.00 ATOM 499 CG LYS 62 16.596 -15.553 -4.999 1.00 0.00 ATOM 500 CD LYS 62 17.176 -16.292 -6.196 1.00 0.00 ATOM 501 CE LYS 62 17.846 -15.332 -7.168 1.00 0.00 ATOM 502 NZ LYS 62 18.398 -16.039 -8.356 1.00 0.00 ATOM 503 O LYS 62 14.531 -13.635 -3.282 1.00 0.00 ATOM 504 C LYS 62 14.318 -14.819 -3.053 1.00 0.00 ATOM 505 N ALA 63 13.120 -15.353 -3.039 1.00 0.00 ATOM 506 CA ALA 63 11.904 -14.618 -3.256 1.00 0.00 ATOM 507 CB ALA 63 11.013 -15.809 -3.331 1.00 0.00 ATOM 508 O ALA 63 11.316 -12.420 -2.671 1.00 0.00 ATOM 509 C ALA 63 11.513 -13.534 -2.232 1.00 0.00 ATOM 510 N PRO 64 11.590 -13.737 -0.923 1.00 0.00 ATOM 511 CA PRO 64 11.339 -12.776 0.124 1.00 0.00 ATOM 512 CB PRO 64 11.525 -13.563 1.406 1.00 0.00 ATOM 513 CG PRO 64 11.258 -15.016 1.168 1.00 0.00 ATOM 514 CD PRO 64 11.814 -14.957 -0.228 1.00 0.00 ATOM 515 O PRO 64 11.964 -10.526 0.008 1.00 0.00 ATOM 516 C PRO 64 12.378 -11.679 0.073 1.00 0.00 ATOM 517 N ASP 65 13.632 -11.992 -0.297 1.00 0.00 ATOM 518 CA ASP 65 14.597 -10.890 -0.479 1.00 0.00 ATOM 519 CB ASP 65 16.019 -11.439 -0.617 1.00 0.00 ATOM 520 CG ASP 65 16.616 -11.972 0.678 1.00 0.00 ATOM 521 OD1 ASP 65 16.056 -11.715 1.717 1.00 0.00 ATOM 522 OD2 ASP 65 17.529 -12.759 0.608 1.00 0.00 ATOM 523 O ASP 65 14.228 -8.799 -1.614 1.00 0.00 ATOM 524 C ASP 65 14.254 -10.024 -1.704 1.00 0.00 ATOM 525 N GLU 66 13.896 -10.696 -2.798 1.00 0.00 ATOM 526 CA GLU 66 13.606 -9.997 -4.074 1.00 0.00 ATOM 527 CB GLU 66 13.467 -11.005 -5.217 1.00 0.00 ATOM 528 CG GLU 66 14.788 -11.543 -5.746 1.00 0.00 ATOM 529 CD GLU 66 14.569 -12.607 -6.784 1.00 0.00 ATOM 530 OE1 GLU 66 13.437 -12.953 -7.023 1.00 0.00 ATOM 531 OE2 GLU 66 15.521 -12.995 -7.420 1.00 0.00 ATOM 532 O GLU 66 12.260 -8.014 -4.341 1.00 0.00 ATOM 533 C GLU 66 12.331 -9.162 -3.914 1.00 0.00 ATOM 534 N VAL 67 11.402 -9.733 -3.161 1.00 0.00 ATOM 535 CA VAL 67 10.100 -9.088 -2.891 1.00 0.00 ATOM 536 CB VAL 67 9.126 -10.052 -2.187 1.00 0.00 ATOM 537 CG1 VAL 67 7.929 -9.292 -1.635 1.00 0.00 ATOM 538 CG2 VAL 67 8.668 -11.140 -3.145 1.00 0.00 ATOM 539 O VAL 67 9.680 -6.807 -2.338 1.00 0.00 ATOM 540 C VAL 67 10.282 -7.834 -2.028 1.00 0.00 ATOM 541 N ILE 68 11.115 -7.929 -0.994 1.00 0.00 ATOM 542 CA ILE 68 11.343 -6.771 -0.102 1.00 0.00 ATOM 543 CB ILE 68 12.342 -7.109 1.019 1.00 0.00 ATOM 544 CG1 ILE 68 11.775 -8.203 1.928 1.00 0.00 ATOM 545 CG2 ILE 68 12.680 -5.864 1.825 1.00 0.00 ATOM 546 CD1 ILE 68 10.655 -7.729 2.827 1.00 0.00 ATOM 547 O ILE 68 11.354 -4.473 -0.814 1.00 0.00 ATOM 548 C ILE 68 11.860 -5.584 -0.935 1.00 0.00 ATOM 549 N GLU 69 12.903 -5.867 -1.717 1.00 0.00 ATOM 550 CA GLU 69 13.506 -4.823 -2.560 1.00 0.00 ATOM 551 CB GLU 69 14.768 -5.352 -3.246 1.00 0.00 ATOM 552 CG GLU 69 15.944 -5.579 -2.309 1.00 0.00 ATOM 553 CD GLU 69 17.102 -6.212 -3.029 1.00 0.00 ATOM 554 OE1 GLU 69 16.958 -6.524 -4.187 1.00 0.00 ATOM 555 OE2 GLU 69 18.165 -6.281 -2.458 1.00 0.00 ATOM 556 O GLU 69 12.363 -3.075 -3.727 1.00 0.00 ATOM 557 C GLU 69 12.534 -4.291 -3.622 1.00 0.00 ATOM 558 N ALA 70 11.767 -5.200 -4.221 1.00 0.00 ATOM 559 CA ALA 70 10.742 -4.837 -5.221 1.00 0.00 ATOM 560 CB ALA 70 9.993 -6.085 -5.714 1.00 0.00 ATOM 561 O ALA 70 9.639 -2.722 -5.122 1.00 0.00 ATOM 562 C ALA 70 9.730 -3.839 -4.643 1.00 0.00 ATOM 563 N ILE 71 9.260 -4.118 -3.435 1.00 0.00 ATOM 564 CA ILE 71 8.286 -3.250 -2.743 1.00 0.00 ATOM 565 CB ILE 71 7.853 -3.851 -1.393 1.00 0.00 ATOM 566 CG1 ILE 71 7.269 -5.251 -1.594 1.00 0.00 ATOM 567 CG2 ILE 71 6.846 -2.942 -0.705 1.00 0.00 ATOM 568 CD1 ILE 71 5.893 -5.254 -2.220 1.00 0.00 ATOM 569 O ILE 71 8.196 -0.857 -2.843 1.00 0.00 ATOM 570 C ILE 71 8.839 -1.836 -2.496 1.00 0.00 ATOM 571 N LYS 72 10.005 -1.783 -1.854 1.00 0.00 ATOM 572 CA LYS 72 10.596 -0.472 -1.517 1.00 0.00 ATOM 573 CB LYS 72 11.865 -0.655 -0.683 1.00 0.00 ATOM 574 CG LYS 72 12.521 0.645 -0.241 1.00 0.00 ATOM 575 CD LYS 72 13.725 0.384 0.652 1.00 0.00 ATOM 576 CE LYS 72 14.389 1.683 1.084 1.00 0.00 ATOM 577 NZ LYS 72 15.572 1.441 1.953 1.00 0.00 ATOM 578 O LYS 72 10.757 1.605 -2.733 1.00 0.00 ATOM 579 C LYS 72 10.934 0.391 -2.752 1.00 0.00 ATOM 580 N GLN 73 11.372 -0.281 -3.812 1.00 0.00 ATOM 581 CA GLN 73 11.689 0.280 -5.135 1.00 0.00 ATOM 582 CB GLN 73 12.117 -0.831 -6.099 1.00 0.00 ATOM 583 CG GLN 73 12.624 -0.328 -7.440 1.00 0.00 ATOM 584 CD GLN 73 13.894 0.489 -7.310 1.00 0.00 ATOM 585 OE1 GLN 73 14.832 0.099 -6.608 1.00 0.00 ATOM 586 NE2 GLN 73 13.933 1.633 -7.984 1.00 0.00 ATOM 587 O GLN 73 10.652 2.119 -6.318 1.00 0.00 ATOM 588 C GLN 73 10.492 1.047 -5.738 1.00 0.00 ATOM 589 N ASN 74 9.308 0.581 -5.348 1.00 0.00 ATOM 590 CA ASN 74 8.050 1.181 -5.827 1.00 0.00 ATOM 591 CB ASN 74 6.975 0.129 -6.032 1.00 0.00 ATOM 592 CG ASN 74 7.254 -0.804 -7.178 1.00 0.00 ATOM 593 ND2 ASN 74 7.096 -0.294 -8.372 1.00 0.00 ATOM 594 OD1 ASN 74 7.676 -1.949 -6.984 1.00 0.00 ATOM 595 O ASN 74 6.521 2.887 -5.221 1.00 0.00 ATOM 596 C ASN 74 7.509 2.272 -4.900 1.00 0.00 ATOM 597 N GLY 75 8.226 2.664 -3.868 1.00 0.00 ATOM 598 CA GLY 75 7.763 3.746 -2.987 1.00 0.00 ATOM 599 O GLY 75 6.576 4.104 -0.958 1.00 0.00 ATOM 600 C GLY 75 6.822 3.314 -1.863 1.00 0.00 ATOM 601 N TYR 76 6.376 2.053 -1.889 1.00 0.00 ATOM 602 CA TYR 76 5.475 1.533 -0.847 1.00 0.00 ATOM 603 CB TYR 76 4.889 0.184 -1.270 1.00 0.00 ATOM 604 CG TYR 76 4.113 0.232 -2.567 1.00 0.00 ATOM 605 CD1 TYR 76 4.242 1.306 -3.436 1.00 0.00 ATOM 606 CD2 TYR 76 3.254 -0.798 -2.920 1.00 0.00 ATOM 607 CE1 TYR 76 3.535 1.356 -4.622 1.00 0.00 ATOM 608 CE2 TYR 76 2.541 -0.760 -4.103 1.00 0.00 ATOM 609 CZ TYR 76 2.685 0.320 -4.951 1.00 0.00 ATOM 610 OH TYR 76 1.979 0.361 -6.132 1.00 0.00 ATOM 611 O TYR 76 7.234 0.710 0.594 1.00 0.00 ATOM 612 C TYR 76 6.209 1.395 0.498 1.00 0.00 ATOM 613 N PHE 77 5.801 2.210 1.466 1.00 0.00 ATOM 614 CA PHE 77 6.392 2.175 2.825 1.00 0.00 ATOM 615 CB PHE 77 5.674 3.163 3.746 1.00 0.00 ATOM 616 CG PHE 77 6.258 3.238 5.128 1.00 0.00 ATOM 617 CD1 PHE 77 7.438 3.928 5.362 1.00 0.00 ATOM 618 CD2 PHE 77 5.629 2.617 6.197 1.00 0.00 ATOM 619 CE1 PHE 77 7.977 3.997 6.633 1.00 0.00 ATOM 620 CE2 PHE 77 6.164 2.685 7.469 1.00 0.00 ATOM 621 CZ PHE 77 7.340 3.376 7.686 1.00 0.00 ATOM 622 O PHE 77 5.306 0.089 3.470 1.00 0.00 ATOM 623 C PHE 77 6.334 0.756 3.423 1.00 0.00 ATOM 624 N ILE 78 7.521 0.271 3.749 1.00 0.00 ATOM 625 CA ILE 78 7.706 -1.082 4.298 1.00 0.00 ATOM 626 CB ILE 78 8.364 -2.023 3.271 1.00 0.00 ATOM 627 CG1 ILE 78 9.808 -1.593 3.000 1.00 0.00 ATOM 628 CG2 ILE 78 7.560 -2.046 1.980 1.00 0.00 ATOM 629 CD1 ILE 78 10.580 -2.560 2.133 1.00 0.00 ATOM 630 O ILE 78 9.656 -0.487 5.593 1.00 0.00 ATOM 631 C ILE 78 8.557 -1.038 5.561 1.00 0.00 ATOM 632 N TYR 79 8.191 -1.916 6.486 1.00 0.00 ATOM 633 CA TYR 79 8.979 -2.025 7.710 1.00 0.00 ATOM 634 CB TYR 79 8.161 -1.364 8.820 1.00 0.00 ATOM 635 CG TYR 79 8.795 -1.229 10.190 1.00 0.00 ATOM 636 CD1 TYR 79 9.851 -0.354 10.392 1.00 0.00 ATOM 637 CD2 TYR 79 8.229 -1.912 11.263 1.00 0.00 ATOM 638 CE1 TYR 79 10.351 -0.172 11.677 1.00 0.00 ATOM 639 CE2 TYR 79 8.732 -1.738 12.536 1.00 0.00 ATOM 640 CZ TYR 79 9.799 -0.871 12.737 1.00 0.00 ATOM 641 OH TYR 79 10.423 -0.818 13.936 1.00 0.00 ATOM 642 O TYR 79 8.813 -4.372 8.255 1.00 0.00 ATOM 643 C TYR 79 9.503 -3.447 7.900 1.00 0.00 ATOM 644 N LYS 80 10.704 -3.661 7.405 1.00 0.00 ATOM 645 CA LYS 80 11.359 -4.985 7.449 1.00 0.00 ATOM 646 CB LYS 80 12.759 -4.910 6.838 1.00 0.00 ATOM 647 CG LYS 80 13.490 -6.245 6.772 1.00 0.00 ATOM 648 CD LYS 80 14.839 -6.104 6.084 1.00 0.00 ATOM 649 CE LYS 80 15.581 -7.432 6.043 1.00 0.00 ATOM 650 NZ LYS 80 16.893 -7.315 5.349 1.00 0.00 ATOM 651 O LYS 80 11.795 -4.810 9.821 1.00 0.00 ATOM 652 C LYS 80 11.441 -5.524 8.883 1.00 0.00 ATOM 653 N MET 81 11.001 -6.755 9.023 1.00 0.00 ATOM 654 CA MET 81 10.933 -7.442 10.316 1.00 0.00 ATOM 655 CB MET 81 9.507 -7.775 10.675 1.00 0.00 ATOM 656 CG MET 81 8.647 -8.696 9.802 1.00 0.00 ATOM 657 SD MET 81 8.970 -10.482 10.004 1.00 0.00 ATOM 658 CE MET 81 7.875 -10.941 11.313 1.00 0.00 ATOM 659 O MET 81 11.599 -9.560 9.470 1.00 0.00 ATOM 660 C MET 81 11.714 -8.735 10.382 1.00 0.00 ATOM 661 N GLU 82 12.160 -8.960 11.599 1.00 0.00 ATOM 662 CA GLU 82 12.949 -10.138 11.980 1.00 0.00 ATOM 663 CB GLU 82 13.509 -9.973 13.395 1.00 0.00 ATOM 664 CG GLU 82 14.581 -8.902 13.525 1.00 0.00 ATOM 665 CD GLU 82 15.077 -8.794 14.940 1.00 0.00 ATOM 666 OE1 GLU 82 14.559 -9.486 15.785 1.00 0.00 ATOM 667 OE2 GLU 82 16.046 -8.106 15.159 1.00 0.00 ATOM 668 O GLU 82 10.876 -11.376 12.057 1.00 0.00 ATOM 669 C GLU 82 12.087 -11.391 11.880 1.00 0.00 ATOM 670 N GLY 83 12.764 -12.468 11.515 1.00 0.00 ATOM 671 CA GLY 83 12.144 -13.789 11.318 1.00 0.00 ATOM 672 O GLY 83 10.783 -14.953 9.738 1.00 0.00 ATOM 673 C GLY 83 11.463 -13.960 9.944 1.00 0.00 ATOM 674 N CYS 84 11.665 -13.008 9.053 1.00 0.00 ATOM 675 CA CYS 84 11.197 -13.167 7.663 1.00 0.00 ATOM 676 CB CYS 84 9.949 -12.355 7.412 1.00 0.00 ATOM 677 SG CYS 84 8.527 -13.034 8.290 1.00 0.00 ATOM 678 O CYS 84 12.916 -11.679 7.023 1.00 0.00 ATOM 679 C CYS 84 12.241 -12.674 6.713 1.00 0.00 ATOM 680 N ASN 85 12.346 -13.397 5.602 1.00 0.00 ATOM 681 CA ASN 85 13.337 -12.943 4.615 1.00 0.00 ATOM 682 CB ASN 85 13.573 -13.991 3.542 1.00 0.00 ATOM 683 CG ASN 85 14.273 -15.223 4.044 1.00 0.00 ATOM 684 ND2 ASN 85 14.166 -16.282 3.284 1.00 0.00 ATOM 685 OD1 ASN 85 14.964 -15.196 5.069 1.00 0.00 ATOM 686 O ASN 85 12.089 -10.887 4.629 1.00 0.00 ATOM 687 C ASN 85 12.891 -11.614 3.989 1.00 0.00 TER END