PFRMAT TS TARGET T0288 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 8 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 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 10000 (t04) or 15000 (t2k) templates (the t06 library is still METHOD being built, and is expected to have around 8000 templates). METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD METHOD METHOD 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 8 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 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 10000 (t04) or 15000 (t2k) templates (the t06 library is still METHOD being built, and is expected to have around 8000 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 This prediction has no optimization done, but just SCWRL-based METHOD sidechain replacement on alignment METHOD T0288-2fe5A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5 REMARK 6 REMARK 6 T0288 model 5 Mon May 22 11:45:13 2006 MODEL 5 PARENT 2fe5A REMARK 7 REMARK 7 ALLPARENTS 2fne_A 1xz9_A 1t2m_A 1wfv_A 1x6d_A 2fcf_A 1g9o_A REMARK 7 ALLPARENTS 1ihj_A 1q3o_A 1mfg_A ATOM 1 N SER 1 -3.226 -20.486 -9.057 1.00 0.00 ATOM 2 CA SER 1 -2.229 -19.397 -9.223 1.00 0.00 ATOM 3 CB SER 1 -1.779 -19.302 -10.683 1.00 0.00 ATOM 4 OG SER 1 -2.831 -18.840 -11.513 1.00 0.00 ATOM 5 O SER 1 -4.033 -17.874 -8.797 1.00 0.00 ATOM 6 C SER 1 -2.821 -18.061 -8.818 1.00 0.00 ATOM 7 N MET 2 -1.937 -17.123 -8.533 1.00 0.00 ATOM 8 CA MET 2 -2.302 -15.775 -8.138 1.00 0.00 ATOM 9 CB MET 2 -1.144 -15.100 -7.400 1.00 0.00 ATOM 10 CG MET 2 -0.757 -15.780 -6.096 1.00 0.00 ATOM 11 SD MET 2 -2.119 -15.848 -4.917 1.00 0.00 ATOM 12 CE MET 2 -2.304 -14.112 -4.515 1.00 0.00 ATOM 13 O MET 2 -1.958 -15.097 -10.396 1.00 0.00 ATOM 14 C MET 2 -2.641 -14.960 -9.385 1.00 0.00 ATOM 15 N VAL 3 -3.673 -14.116 -9.309 1.00 0.00 ATOM 16 CA VAL 3 -3.989 -13.154 -10.364 1.00 0.00 ATOM 17 CB VAL 3 -5.505 -12.900 -10.460 1.00 0.00 ATOM 18 CG1 VAL 3 -5.806 -11.862 -11.531 1.00 0.00 ATOM 19 CG2 VAL 3 -6.240 -14.183 -10.815 1.00 0.00 ATOM 20 O VAL 3 -3.698 -11.123 -9.127 1.00 0.00 ATOM 21 C VAL 3 -3.270 -11.855 -10.013 1.00 0.00 ATOM 22 N PRO 4 -2.151 -11.592 -10.670 1.00 0.00 ATOM 23 CA PRO 4 -1.288 -10.491 -10.299 1.00 0.00 ATOM 24 CB PRO 4 0.114 -11.103 -10.298 1.00 0.00 ATOM 25 CG PRO 4 0.051 -12.181 -11.328 1.00 0.00 ATOM 26 CD PRO 4 -1.357 -12.705 -11.297 1.00 0.00 ATOM 27 O PRO 4 -1.446 -9.624 -12.516 1.00 0.00 ATOM 28 C PRO 4 -1.418 -9.371 -11.318 1.00 0.00 ATOM 29 N GLY 5 -1.531 -8.136 -10.828 1.00 0.00 ATOM 30 CA GLY 5 -1.527 -6.949 -11.667 1.00 0.00 ATOM 31 O GLY 5 -0.243 -5.866 -9.956 1.00 0.00 ATOM 32 C GLY 5 -0.464 -5.981 -11.162 1.00 0.00 ATOM 33 N LYS 6 0.163 -5.275 -12.098 1.00 0.00 ATOM 34 CA LYS 6 1.103 -4.201 -11.803 1.00 0.00 ATOM 35 CB LYS 6 2.413 -4.411 -12.567 1.00 0.00 ATOM 36 CG LYS 6 3.470 -3.355 -12.285 1.00 0.00 ATOM 37 CD LYS 6 4.715 -3.585 -13.126 1.00 0.00 ATOM 38 CE LYS 6 5.755 -2.504 -12.880 1.00 0.00 ATOM 39 NZ LYS 6 6.997 -2.736 -13.668 1.00 0.00 ATOM 40 O LYS 6 -0.009 -2.758 -13.350 1.00 0.00 ATOM 41 C LYS 6 0.481 -2.877 -12.223 1.00 0.00 ATOM 42 N VAL 7 0.518 -1.892 -11.338 1.00 0.00 ATOM 43 CA VAL 7 -0.096 -0.587 -11.568 1.00 0.00 ATOM 44 CB VAL 7 -1.359 -0.396 -10.706 1.00 0.00 ATOM 45 CG1 VAL 7 -1.964 0.979 -10.944 1.00 0.00 ATOM 46 CG2 VAL 7 -2.402 -1.447 -11.052 1.00 0.00 ATOM 47 O VAL 7 1.437 0.468 -10.055 1.00 0.00 ATOM 48 C VAL 7 0.955 0.463 -11.194 1.00 0.00 ATOM 49 N THR 8 1.309 1.348 -12.132 1.00 0.00 ATOM 50 CA THR 8 2.239 2.452 -11.877 1.00 0.00 ATOM 51 CB THR 8 3.278 2.588 -13.007 1.00 0.00 ATOM 52 CG2 THR 8 4.220 3.748 -12.727 1.00 0.00 ATOM 53 OG1 THR 8 4.044 1.381 -13.101 1.00 0.00 ATOM 54 O THR 8 0.804 4.135 -12.765 1.00 0.00 ATOM 55 C THR 8 1.425 3.730 -11.786 1.00 0.00 ATOM 56 N LEU 9 1.423 4.350 -10.614 1.00 0.00 ATOM 57 CA LEU 9 0.632 5.553 -10.360 1.00 0.00 ATOM 58 CB LEU 9 -0.251 5.364 -9.125 1.00 0.00 ATOM 59 CG LEU 9 -1.243 4.200 -9.172 1.00 0.00 ATOM 60 CD1 LEU 9 -1.992 4.077 -7.855 1.00 0.00 ATOM 61 CD2 LEU 9 -2.263 4.410 -10.282 1.00 0.00 ATOM 62 O LEU 9 2.573 6.675 -9.530 1.00 0.00 ATOM 63 C LEU 9 1.504 6.763 -10.119 1.00 0.00 ATOM 64 N GLN 10 1.007 7.899 -10.584 1.00 0.00 ATOM 65 CA GLN 10 1.569 9.207 -10.299 1.00 0.00 ATOM 66 CB GLN 10 1.411 10.133 -11.507 1.00 0.00 ATOM 67 CG GLN 10 2.017 11.513 -11.315 1.00 0.00 ATOM 68 CD GLN 10 1.855 12.396 -12.537 1.00 0.00 ATOM 69 OE1 GLN 10 1.340 11.959 -13.567 1.00 0.00 ATOM 70 NE2 GLN 10 2.294 13.644 -12.426 1.00 0.00 ATOM 71 O GLN 10 -0.423 9.857 -9.140 1.00 0.00 ATOM 72 C GLN 10 0.806 9.760 -9.104 1.00 0.00 ATOM 73 N LYS 11 1.497 10.121 -8.035 1.00 0.00 ATOM 74 CA LYS 11 0.785 10.537 -6.814 1.00 0.00 ATOM 75 CB LYS 11 1.779 10.986 -5.741 1.00 0.00 ATOM 76 CG LYS 11 1.131 11.397 -4.428 1.00 0.00 ATOM 77 CD LYS 11 2.177 11.761 -3.388 1.00 0.00 ATOM 78 CE LYS 11 1.529 12.220 -2.091 1.00 0.00 ATOM 79 NZ LYS 11 2.542 12.603 -1.068 1.00 0.00 ATOM 80 O LYS 11 -1.358 11.668 -6.639 1.00 0.00 ATOM 81 C LYS 11 -0.188 11.710 -7.035 1.00 0.00 ATOM 82 N ASP 12 0.315 12.755 -7.648 1.00 0.00 ATOM 83 CA ASP 12 -0.469 13.899 -7.996 1.00 0.00 ATOM 84 CB ASP 12 -1.720 13.478 -8.769 1.00 0.00 ATOM 85 CG ASP 12 -2.330 14.618 -9.558 1.00 0.00 ATOM 86 OD1 ASP 12 -1.807 15.749 -9.470 1.00 0.00 ATOM 87 OD2 ASP 12 -3.333 14.382 -10.265 1.00 0.00 ATOM 88 O ASP 12 -0.582 14.491 -5.662 1.00 0.00 ATOM 89 C ASP 12 -0.955 14.714 -6.809 1.00 0.00 ATOM 90 N ALA 13 -1.820 15.692 -7.081 1.00 0.00 ATOM 91 CA ALA 13 -2.274 16.642 -6.065 1.00 0.00 ATOM 92 CB ALA 13 -3.252 17.638 -6.670 1.00 0.00 ATOM 93 O ALA 13 -2.980 16.654 -3.811 1.00 0.00 ATOM 94 C ALA 13 -2.986 16.046 -4.873 1.00 0.00 ATOM 95 N GLN 14 -3.638 14.900 -5.044 1.00 0.00 ATOM 96 CA GLN 14 -4.383 14.278 -3.952 1.00 0.00 ATOM 97 CB GLN 14 -5.805 13.936 -4.400 1.00 0.00 ATOM 98 CG GLN 14 -6.599 15.128 -4.906 1.00 0.00 ATOM 99 CD GLN 14 -6.855 16.159 -3.824 1.00 0.00 ATOM 100 OE1 GLN 14 -7.222 15.815 -2.700 1.00 0.00 ATOM 101 NE2 GLN 14 -6.659 17.429 -4.159 1.00 0.00 ATOM 102 O GLN 14 -4.286 12.309 -2.612 1.00 0.00 ATOM 103 C GLN 14 -3.733 12.983 -3.467 1.00 0.00 ATOM 104 N ASN 15 -2.539 12.664 -3.952 1.00 0.00 ATOM 105 CA ASN 15 -1.837 11.469 -3.518 1.00 0.00 ATOM 106 CB ASN 15 -1.928 11.316 -1.999 1.00 0.00 ATOM 107 CG ASN 15 -3.346 11.060 -1.524 1.00 0.00 ATOM 108 ND2 ASN 15 -3.532 11.036 -0.210 1.00 0.00 ATOM 109 OD1 ASN 15 -4.259 10.885 -2.330 1.00 0.00 ATOM 110 O ASN 15 -3.337 10.193 -4.898 1.00 0.00 ATOM 111 C ASN 15 -2.384 10.192 -4.122 1.00 0.00 ATOM 115 N ILE 17 -1.793 9.077 -3.714 1.00 0.00 ATOM 116 CA ILE 17 -2.217 7.762 -4.193 1.00 0.00 ATOM 117 CB ILE 17 -1.389 6.634 -3.550 1.00 0.00 ATOM 118 CG1 ILE 17 0.060 6.690 -4.039 1.00 0.00 ATOM 119 CG2 ILE 17 -1.968 5.276 -3.913 1.00 0.00 ATOM 120 CD1 ILE 17 1.001 5.795 -3.263 1.00 0.00 ATOM 121 O ILE 17 -4.367 6.852 -4.670 1.00 0.00 ATOM 122 C ILE 17 -3.680 7.475 -3.877 1.00 0.00 ATOM 123 N GLY 18 -4.132 7.871 -2.698 1.00 0.00 ATOM 124 CA GLY 18 -5.562 7.811 -2.380 1.00 0.00 ATOM 125 O GLY 18 -7.145 6.060 -2.816 1.00 0.00 ATOM 126 C GLY 18 -6.125 6.406 -2.221 1.00 0.00 ATOM 127 N ILE 19 -5.484 5.592 -1.394 1.00 0.00 ATOM 128 CA ILE 19 -6.119 4.346 -0.948 1.00 0.00 ATOM 129 CB ILE 19 -5.762 3.168 -1.873 1.00 0.00 ATOM 130 CG1 ILE 19 -4.242 3.010 -1.974 1.00 0.00 ATOM 131 CG2 ILE 19 -6.315 3.402 -3.270 1.00 0.00 ATOM 132 CD1 ILE 19 -3.807 1.770 -2.722 1.00 0.00 ATOM 133 O ILE 19 -4.563 4.356 0.867 1.00 0.00 ATOM 134 C ILE 19 -5.663 3.997 0.449 1.00 0.00 ATOM 135 N SER 20 -6.527 3.309 1.174 1.00 0.00 ATOM 136 CA SER 20 -6.252 2.861 2.516 1.00 0.00 ATOM 137 CB SER 20 -7.466 3.089 3.418 1.00 0.00 ATOM 138 OG SER 20 -7.253 2.548 4.709 1.00 0.00 ATOM 139 O SER 20 -6.462 0.635 1.700 1.00 0.00 ATOM 140 C SER 20 -5.924 1.385 2.518 1.00 0.00 ATOM 141 N ILE 21 -5.100 0.982 3.483 1.00 0.00 ATOM 142 CA ILE 21 -4.709 -0.403 3.642 1.00 0.00 ATOM 143 CB ILE 21 -3.217 -0.609 3.322 1.00 0.00 ATOM 144 CG1 ILE 21 -2.351 0.235 4.259 1.00 0.00 ATOM 145 CG2 ILE 21 -2.917 -0.198 1.890 1.00 0.00 ATOM 146 CD1 ILE 21 -0.869 -0.048 4.142 1.00 0.00 ATOM 147 O ILE 21 -4.780 -0.109 6.021 1.00 0.00 ATOM 148 C ILE 21 -4.946 -0.874 5.063 1.00 0.00 ATOM 149 N GLY 22 -5.282 -2.149 5.188 1.00 0.00 ATOM 150 CA GLY 22 -5.354 -2.851 6.455 1.00 0.00 ATOM 151 O GLY 22 -3.763 -4.296 5.374 1.00 0.00 ATOM 152 C GLY 22 -4.489 -4.110 6.348 1.00 0.00 ATOM 153 N GLY 23 -4.588 -4.987 7.338 1.00 0.00 ATOM 154 CA GLY 23 -3.752 -6.174 7.372 1.00 0.00 ATOM 155 O GLY 23 -2.058 -4.862 8.457 1.00 0.00 ATOM 156 C GLY 23 -2.366 -5.922 7.934 1.00 0.00 ATOM 157 N GLY 24 -1.532 -6.944 7.836 1.00 0.00 ATOM 158 CA GLY 24 -0.172 -6.939 8.366 1.00 0.00 ATOM 159 O GLY 24 -0.969 -8.178 10.278 1.00 0.00 ATOM 160 C GLY 24 -0.005 -7.819 9.588 1.00 0.00 ATOM 161 N ALA 25 1.250 -8.133 9.879 1.00 0.00 ATOM 162 CA ALA 25 1.627 -8.842 11.096 1.00 0.00 ATOM 163 CB ALA 25 3.141 -8.923 11.215 1.00 0.00 ATOM 164 O ALA 25 1.235 -6.895 12.381 1.00 0.00 ATOM 165 C ALA 25 1.068 -8.091 12.292 1.00 0.00 ATOM 166 N GLN 26 0.389 -8.799 13.189 1.00 0.00 ATOM 167 CA GLN 26 -0.227 -8.188 14.362 1.00 0.00 ATOM 168 CB GLN 26 0.742 -7.210 15.028 1.00 0.00 ATOM 169 CG GLN 26 2.075 -7.827 15.418 1.00 0.00 ATOM 170 CD GLN 26 1.918 -8.996 16.372 1.00 0.00 ATOM 171 OE1 GLN 26 1.267 -8.880 17.411 1.00 0.00 ATOM 172 NE2 GLN 26 2.519 -10.127 16.023 1.00 0.00 ATOM 173 O GLN 26 -2.019 -6.736 14.972 1.00 0.00 ATOM 174 C GLN 26 -1.499 -7.396 14.078 1.00 0.00 ATOM 175 N TYR 27 -2.010 -7.470 12.845 1.00 0.00 ATOM 176 CA TYR 27 -3.161 -6.670 12.424 1.00 0.00 ATOM 177 CB TYR 27 -2.700 -5.326 11.854 1.00 0.00 ATOM 178 CG TYR 27 -3.804 -4.301 11.730 1.00 0.00 ATOM 179 CD1 TYR 27 -4.264 -3.613 12.845 1.00 0.00 ATOM 180 CD2 TYR 27 -4.383 -4.025 10.499 1.00 0.00 ATOM 181 CE1 TYR 27 -5.274 -2.674 12.741 1.00 0.00 ATOM 182 CE2 TYR 27 -5.393 -3.090 10.374 1.00 0.00 ATOM 183 CZ TYR 27 -5.835 -2.413 11.510 1.00 0.00 ATOM 184 OH TYR 27 -6.841 -1.480 11.404 1.00 0.00 ATOM 185 O TYR 27 -4.316 -6.842 10.336 1.00 0.00 ATOM 186 C TYR 27 -3.938 -7.424 11.348 1.00 0.00 ATOM 187 N CYS 28 -4.159 -8.715 11.561 1.00 0.00 ATOM 188 CA CYS 28 -4.623 -9.585 10.477 1.00 0.00 ATOM 189 CB CYS 28 -4.676 -11.042 10.945 1.00 0.00 ATOM 190 SG CYS 28 -5.233 -12.211 9.682 1.00 0.00 ATOM 191 O CYS 28 -6.954 -9.054 10.747 1.00 0.00 ATOM 192 C CYS 28 -6.015 -9.233 9.970 1.00 0.00 ATOM 193 N PRO 29 -6.146 -9.194 8.656 1.00 0.00 ATOM 194 CA PRO 29 -7.420 -8.985 7.988 1.00 0.00 ATOM 195 CB PRO 29 -7.030 -8.612 6.556 1.00 0.00 ATOM 196 CG PRO 29 -5.793 -9.400 6.288 1.00 0.00 ATOM 197 CD PRO 29 -5.009 -9.396 7.570 1.00 0.00 ATOM 198 O PRO 29 -9.520 -10.152 8.070 1.00 0.00 ATOM 199 C PRO 29 -8.292 -10.248 8.011 1.00 0.00 ATOM 200 N CYS 30 -1.319 -10.678 5.079 1.00 0.00 ATOM 201 CA CYS 30 -1.270 -9.853 3.884 1.00 0.00 ATOM 202 CB CYS 30 -2.085 -10.492 2.758 1.00 0.00 ATOM 203 SG CYS 30 -1.431 -12.069 2.164 1.00 0.00 ATOM 204 O CYS 30 -2.746 -8.251 4.940 1.00 0.00 ATOM 205 C CYS 30 -1.835 -8.457 4.125 1.00 0.00 ATOM 206 N LEU 31 -1.330 -7.510 3.342 1.00 0.00 ATOM 207 CA LEU 31 -1.843 -6.146 3.298 1.00 0.00 ATOM 208 CB LEU 31 -0.744 -5.175 2.861 1.00 0.00 ATOM 209 CG LEU 31 -1.144 -3.702 2.757 1.00 0.00 ATOM 210 CD1 LEU 31 -1.480 -3.138 4.130 1.00 0.00 ATOM 211 CD2 LEU 31 -0.010 -2.877 2.169 1.00 0.00 ATOM 212 O LEU 31 -2.833 -6.567 1.150 1.00 0.00 ATOM 213 C LEU 31 -2.994 -6.118 2.293 1.00 0.00 ATOM 214 N TYR 32 -4.137 -5.561 2.700 1.00 0.00 ATOM 215 CA TYR 32 -5.328 -5.463 1.845 1.00 0.00 ATOM 216 CB TYR 32 -6.508 -6.196 2.485 1.00 0.00 ATOM 217 CG TYR 32 -6.306 -7.688 2.615 1.00 0.00 ATOM 218 CD1 TYR 32 -5.754 -8.233 3.768 1.00 0.00 ATOM 219 CD2 TYR 32 -6.667 -8.548 1.585 1.00 0.00 ATOM 220 CE1 TYR 32 -5.565 -9.597 3.896 1.00 0.00 ATOM 221 CE2 TYR 32 -6.483 -9.914 1.696 1.00 0.00 ATOM 222 CZ TYR 32 -5.928 -10.434 2.864 1.00 0.00 ATOM 223 OH TYR 32 -5.739 -11.791 2.989 1.00 0.00 ATOM 224 O TYR 32 -5.721 -3.231 2.580 1.00 0.00 ATOM 225 C TYR 32 -5.720 -4.014 1.641 1.00 0.00 ATOM 226 N ILE 33 -6.111 -3.680 0.421 1.00 0.00 ATOM 227 CA ILE 33 -6.697 -2.379 0.136 1.00 0.00 ATOM 228 CB ILE 33 -6.662 -2.061 -1.370 1.00 0.00 ATOM 229 CG1 ILE 33 -5.216 -1.996 -1.867 1.00 0.00 ATOM 230 CG2 ILE 33 -7.328 -0.722 -1.647 1.00 0.00 ATOM 231 CD1 ILE 33 -5.093 -1.919 -3.373 1.00 0.00 ATOM 232 O ILE 33 -8.974 -3.192 0.172 1.00 0.00 ATOM 233 C ILE 33 -8.156 -2.363 0.601 1.00 0.00 ATOM 234 N VAL 34 -8.482 -1.421 1.472 1.00 0.00 ATOM 235 CA VAL 34 -9.809 -1.356 2.081 1.00 0.00 ATOM 236 CB VAL 34 -9.722 -1.260 3.615 1.00 0.00 ATOM 237 CG1 VAL 34 -9.010 -2.477 4.185 1.00 0.00 ATOM 238 CG2 VAL 34 -8.953 -0.015 4.028 1.00 0.00 ATOM 239 O VAL 34 -11.865 -0.178 1.860 1.00 0.00 ATOM 240 C VAL 34 -10.655 -0.163 1.641 1.00 0.00 ATOM 241 N GLN 35 -10.049 0.868 1.050 1.00 0.00 ATOM 242 CA GLN 35 -10.772 2.057 0.588 1.00 0.00 ATOM 243 CB GLN 35 -10.844 3.106 1.700 1.00 0.00 ATOM 244 CG GLN 35 -11.654 4.341 1.335 1.00 0.00 ATOM 245 CD GLN 35 -11.761 5.326 2.483 1.00 0.00 ATOM 246 OE1 GLN 35 -11.203 5.104 3.558 1.00 0.00 ATOM 247 NE2 GLN 35 -12.478 6.420 2.257 1.00 0.00 ATOM 248 O GLN 35 -8.814 2.661 -0.611 1.00 0.00 ATOM 249 C GLN 35 -10.050 2.648 -0.603 1.00 0.00 ATOM 250 N VAL 36 -10.814 3.157 -1.571 1.00 0.00 ATOM 251 CA VAL 36 -10.292 3.962 -2.672 1.00 0.00 ATOM 252 CB VAL 36 -10.772 3.432 -4.037 1.00 0.00 ATOM 253 CG1 VAL 36 -10.238 4.304 -5.163 1.00 0.00 ATOM 254 CG2 VAL 36 -10.284 2.009 -4.257 1.00 0.00 ATOM 255 O VAL 36 -12.033 5.590 -2.459 1.00 0.00 ATOM 256 C VAL 36 -10.820 5.367 -2.424 1.00 0.00 ATOM 257 N PHE 37 -9.923 6.303 -2.143 1.00 0.00 ATOM 258 CA PHE 37 -10.287 7.647 -1.710 1.00 0.00 ATOM 259 CB PHE 37 -9.097 8.333 -1.035 1.00 0.00 ATOM 260 CG PHE 37 -8.765 7.779 0.319 1.00 0.00 ATOM 261 CD1 PHE 37 -7.774 6.824 0.468 1.00 0.00 ATOM 262 CD2 PHE 37 -9.444 8.210 1.446 1.00 0.00 ATOM 263 CE1 PHE 37 -7.468 6.313 1.716 1.00 0.00 ATOM 264 CE2 PHE 37 -9.138 7.699 2.693 1.00 0.00 ATOM 265 CZ PHE 37 -8.155 6.754 2.830 1.00 0.00 ATOM 266 O PHE 37 -10.056 8.523 -3.954 1.00 0.00 ATOM 267 C PHE 37 -10.721 8.492 -2.914 1.00 0.00 ATOM 268 N ASP 38 -11.841 9.187 -2.781 1.00 0.00 ATOM 269 CA ASP 38 -12.323 9.988 -3.886 1.00 0.00 ATOM 270 CB ASP 38 -13.658 10.646 -3.530 1.00 0.00 ATOM 271 CG ASP 38 -14.808 9.657 -3.508 1.00 0.00 ATOM 272 OD1 ASP 38 -14.610 8.507 -3.954 1.00 0.00 ATOM 273 OD2 ASP 38 -15.905 10.031 -3.045 1.00 0.00 ATOM 274 O ASP 38 -10.851 11.782 -3.317 1.00 0.00 ATOM 275 C ASP 38 -11.314 11.077 -4.214 1.00 0.00 ATOM 276 N ASN 39 -11.007 11.222 -5.498 1.00 0.00 ATOM 277 CA ASN 39 -10.101 12.262 -5.988 1.00 0.00 ATOM 278 CB ASN 39 -10.143 13.485 -5.070 1.00 0.00 ATOM 279 CG ASN 39 -11.477 14.204 -5.117 1.00 0.00 ATOM 280 ND2 ASN 39 -11.852 14.822 -4.004 1.00 0.00 ATOM 281 OD1 ASN 39 -12.157 14.200 -6.142 1.00 0.00 ATOM 282 O ASN 39 -7.862 12.628 -6.638 1.00 0.00 ATOM 283 C ASN 39 -8.645 11.870 -6.081 1.00 0.00 ATOM 284 N THR 40 -8.276 10.719 -5.538 1.00 0.00 ATOM 285 CA THR 40 -6.884 10.287 -5.541 1.00 0.00 ATOM 286 CB THR 40 -6.604 9.279 -4.412 1.00 0.00 ATOM 287 CG2 THR 40 -6.959 9.880 -3.060 1.00 0.00 ATOM 288 OG1 THR 40 -7.390 8.097 -4.615 1.00 0.00 ATOM 289 O THR 40 -7.295 9.348 -7.720 1.00 0.00 ATOM 290 C THR 40 -6.482 9.612 -6.836 1.00 0.00 ATOM 291 N PRO 41 -5.199 9.299 -6.933 1.00 0.00 ATOM 292 CA PRO 41 -4.643 8.696 -8.142 1.00 0.00 ATOM 293 CB PRO 41 -3.141 8.615 -7.859 1.00 0.00 ATOM 294 CG PRO 41 -2.880 9.733 -6.905 1.00 0.00 ATOM 295 CD PRO 41 -4.070 9.784 -5.988 1.00 0.00 ATOM 296 O PRO 41 -5.455 6.943 -9.550 1.00 0.00 ATOM 297 C PRO 41 -5.231 7.312 -8.404 1.00 0.00 ATOM 298 N ALA 42 -5.452 6.539 -7.350 1.00 0.00 ATOM 299 CA ALA 42 -5.959 5.185 -7.529 1.00 0.00 ATOM 300 CB ALA 42 -6.075 4.480 -6.187 1.00 0.00 ATOM 301 O ALA 42 -7.624 4.420 -9.075 1.00 0.00 ATOM 302 C ALA 42 -7.334 5.216 -8.182 1.00 0.00 ATOM 303 N ALA 43 -8.203 6.117 -7.723 1.00 0.00 ATOM 304 CA ALA 43 -9.540 6.245 -8.300 1.00 0.00 ATOM 305 CB ALA 43 -10.338 7.307 -7.559 1.00 0.00 ATOM 306 O ALA 43 -10.117 6.078 -10.624 1.00 0.00 ATOM 307 C ALA 43 -9.444 6.645 -9.772 1.00 0.00 ATOM 308 N LEU 44 -8.656 7.678 -10.057 1.00 0.00 ATOM 309 CA LEU 44 -8.554 8.185 -11.415 1.00 0.00 ATOM 310 CB LEU 44 -7.532 9.323 -11.486 1.00 0.00 ATOM 311 CG LEU 44 -7.927 10.632 -10.798 1.00 0.00 ATOM 312 CD1 LEU 44 -6.759 11.606 -10.787 1.00 0.00 ATOM 313 CD2 LEU 44 -9.090 11.292 -11.521 1.00 0.00 ATOM 314 O LEU 44 -8.681 6.895 -13.448 1.00 0.00 ATOM 315 C LEU 44 -8.109 7.081 -12.372 1.00 0.00 ATOM 316 N ASP 45 -7.117 6.313 -11.955 1.00 0.00 ATOM 317 CA ASP 45 -6.583 5.247 -12.785 1.00 0.00 ATOM 318 CB ASP 45 -5.290 4.695 -12.183 1.00 0.00 ATOM 319 CG ASP 45 -4.627 3.662 -13.072 1.00 0.00 ATOM 320 OD1 ASP 45 -4.245 4.014 -14.208 1.00 0.00 ATOM 321 OD2 ASP 45 -4.490 2.500 -12.634 1.00 0.00 ATOM 322 O ASP 45 -7.654 3.475 -13.989 1.00 0.00 ATOM 323 C ASP 45 -7.565 4.080 -12.923 1.00 0.00 ATOM 324 N GLY 46 -8.247 3.752 -11.829 1.00 0.00 ATOM 325 CA GLY 46 -9.332 2.778 -11.840 1.00 0.00 ATOM 326 O GLY 46 -9.863 0.478 -11.527 1.00 0.00 ATOM 327 C GLY 46 -8.972 1.306 -11.703 1.00 0.00 ATOM 328 N THR 47 -7.701 0.941 -11.789 1.00 0.00 ATOM 329 CA THR 47 -7.324 -0.478 -11.792 1.00 0.00 ATOM 330 CB THR 47 -5.910 -0.685 -12.366 1.00 0.00 ATOM 331 CG2 THR 47 -5.544 -2.162 -12.360 1.00 0.00 ATOM 332 OG1 THR 47 -5.863 -0.201 -13.714 1.00 0.00 ATOM 333 O THR 47 -7.691 -2.282 -10.259 1.00 0.00 ATOM 334 C THR 47 -7.317 -1.114 -10.404 1.00 0.00 ATOM 335 N VAL 48 -6.882 -0.373 -9.393 1.00 0.00 ATOM 336 CA VAL 48 -6.897 -0.888 -8.031 1.00 0.00 ATOM 337 CB VAL 48 -6.084 0.009 -7.079 1.00 0.00 ATOM 338 CG1 VAL 48 -6.235 -0.463 -5.642 1.00 0.00 ATOM 339 CG2 VAL 48 -4.607 -0.029 -7.444 1.00 0.00 ATOM 340 O VAL 48 -9.137 -0.080 -7.816 1.00 0.00 ATOM 341 C VAL 48 -8.321 -0.949 -7.523 1.00 0.00 ATOM 342 N ALA 49 -8.602 -1.984 -6.747 1.00 0.00 ATOM 343 CA ALA 49 -9.944 -2.247 -6.230 1.00 0.00 ATOM 344 CB ALA 49 -10.593 -3.390 -6.996 1.00 0.00 ATOM 345 O ALA 49 -8.945 -3.291 -4.310 1.00 0.00 ATOM 346 C ALA 49 -9.878 -2.625 -4.754 1.00 0.00 ATOM 347 N ALA 50 -10.905 -2.251 -3.997 1.00 0.00 ATOM 348 CA ALA 50 -11.071 -2.760 -2.639 1.00 0.00 ATOM 349 CB ALA 50 -12.409 -2.316 -2.066 1.00 0.00 ATOM 350 O ALA 50 -11.654 -4.915 -3.548 1.00 0.00 ATOM 351 C ALA 50 -11.016 -4.283 -2.692 1.00 0.00 ATOM 352 N GLY 51 -10.224 -4.856 -1.791 1.00 0.00 ATOM 353 CA GLY 51 -10.045 -6.301 -1.709 1.00 0.00 ATOM 354 O GLY 51 -8.342 -7.929 -2.075 1.00 0.00 ATOM 355 C GLY 51 -8.733 -6.780 -2.299 1.00 0.00 ATOM 356 N ASP 52 -8.043 -5.930 -3.057 1.00 0.00 ATOM 357 CA ASP 52 -6.732 -6.301 -3.584 1.00 0.00 ATOM 358 CB ASP 52 -6.200 -5.208 -4.514 1.00 0.00 ATOM 359 CG ASP 52 -6.928 -5.169 -5.843 1.00 0.00 ATOM 360 OD1 ASP 52 -7.714 -6.101 -6.117 1.00 0.00 ATOM 361 OD2 ASP 52 -6.712 -4.208 -6.609 1.00 0.00 ATOM 362 O ASP 52 -5.793 -5.798 -1.430 1.00 0.00 ATOM 363 C ASP 52 -5.744 -6.492 -2.447 1.00 0.00 ATOM 364 N GLU 53 -4.830 -7.438 -2.626 1.00 0.00 ATOM 365 CA GLU 53 -3.717 -7.633 -1.703 1.00 0.00 ATOM 366 CB GLU 53 -3.421 -9.123 -1.525 1.00 0.00 ATOM 367 CG GLU 53 -4.528 -9.897 -0.827 1.00 0.00 ATOM 368 CD GLU 53 -4.222 -11.377 -0.715 1.00 0.00 ATOM 369 OE1 GLU 53 -3.155 -11.804 -1.206 1.00 0.00 ATOM 370 OE2 GLU 53 -5.049 -12.114 -0.136 1.00 0.00 ATOM 371 O GLU 53 -2.123 -7.174 -3.418 1.00 0.00 ATOM 372 C GLU 53 -2.497 -6.938 -2.273 1.00 0.00 ATOM 373 N ILE 54 -1.882 -6.083 -1.474 1.00 0.00 ATOM 374 CA ILE 54 -0.717 -5.329 -1.918 1.00 0.00 ATOM 375 CB ILE 54 -0.575 -4.005 -1.145 1.00 0.00 ATOM 376 CG1 ILE 54 -1.811 -3.127 -1.358 1.00 0.00 ATOM 377 CG2 ILE 54 0.647 -3.237 -1.624 1.00 0.00 ATOM 378 CD1 ILE 54 -1.851 -1.903 -0.470 1.00 0.00 ATOM 379 O ILE 54 0.949 -6.383 -0.531 1.00 0.00 ATOM 380 C ILE 54 0.530 -6.181 -1.677 1.00 0.00 ATOM 381 N THR 55 1.091 -6.708 -2.757 1.00 0.00 ATOM 382 CA THR 55 2.252 -7.583 -2.697 1.00 0.00 ATOM 383 CB THR 55 2.358 -8.469 -3.952 1.00 0.00 ATOM 384 CG2 THR 55 3.576 -9.375 -3.864 1.00 0.00 ATOM 385 OG1 THR 55 1.182 -9.282 -4.065 1.00 0.00 ATOM 386 O THR 55 4.522 -7.364 -1.979 1.00 0.00 ATOM 387 C THR 55 3.591 -6.855 -2.593 1.00 0.00 ATOM 388 N GLY 56 3.697 -5.695 -3.252 1.00 0.00 ATOM 389 CA GLY 56 4.953 -4.941 -3.279 1.00 0.00 ATOM 390 O GLY 56 3.733 -3.179 -4.347 1.00 0.00 ATOM 391 C GLY 56 4.688 -3.498 -3.625 1.00 0.00 ATOM 392 N VAL 57 5.567 -2.643 -3.119 1.00 0.00 ATOM 393 CA VAL 57 5.677 -1.243 -3.512 1.00 0.00 ATOM 394 CB VAL 57 5.416 -0.302 -2.322 1.00 0.00 ATOM 395 CG1 VAL 57 5.572 1.151 -2.747 1.00 0.00 ATOM 396 CG2 VAL 57 4.005 -0.496 -1.787 1.00 0.00 ATOM 397 O VAL 57 8.058 -1.365 -3.285 1.00 0.00 ATOM 398 C VAL 57 7.103 -1.077 -4.023 1.00 0.00 ATOM 399 N ASN 58 7.264 -0.657 -5.269 1.00 0.00 ATOM 400 CA ASN 58 8.596 -0.591 -5.879 1.00 0.00 ATOM 401 CB ASN 58 9.418 0.536 -5.249 1.00 0.00 ATOM 402 CG ASN 58 8.822 1.905 -5.505 1.00 0.00 ATOM 403 ND2 ASN 58 9.064 2.836 -4.589 1.00 0.00 ATOM 404 OD1 ASN 58 8.153 2.123 -6.515 1.00 0.00 ATOM 405 O ASN 58 8.744 -2.964 -6.002 1.00 0.00 ATOM 406 C ASN 58 9.318 -1.924 -5.658 1.00 0.00 ATOM 407 N GLY 59 10.525 -1.922 -5.088 1.00 0.00 ATOM 408 CA GLY 59 11.276 -3.156 -4.835 1.00 0.00 ATOM 409 O GLY 59 11.898 -4.542 -2.989 1.00 0.00 ATOM 410 C GLY 59 11.092 -3.710 -3.428 1.00 0.00 ATOM 411 N ARG 60 10.070 -3.251 -2.711 1.00 0.00 ATOM 412 CA ARG 60 9.831 -3.677 -1.339 1.00 0.00 ATOM 413 CB ARG 60 9.472 -2.478 -0.460 1.00 0.00 ATOM 414 CG ARG 60 10.653 -1.582 -0.120 1.00 0.00 ATOM 415 CD ARG 60 10.216 -0.384 0.708 1.00 0.00 ATOM 416 NE ARG 60 11.308 0.563 0.918 1.00 0.00 ATOM 417 CZ ARG 60 12.238 0.435 1.859 1.00 0.00 ATOM 418 NH1 ARG 60 13.195 1.347 1.975 1.00 0.00 ATOM 419 NH2 ARG 60 12.210 -0.605 2.681 1.00 0.00 ATOM 420 O ARG 60 7.536 -4.351 -1.615 1.00 0.00 ATOM 421 C ARG 60 8.679 -4.680 -1.283 1.00 0.00 ATOM 422 N SER 61 8.988 -5.901 -0.868 1.00 0.00 ATOM 423 CA SER 61 7.991 -6.970 -0.768 1.00 0.00 ATOM 424 CB SER 61 8.671 -8.341 -0.774 1.00 0.00 ATOM 425 OG SER 61 7.729 -9.380 -0.567 1.00 0.00 ATOM 426 O SER 61 7.792 -6.742 1.619 1.00 0.00 ATOM 427 C SER 61 7.205 -6.812 0.533 1.00 0.00 ATOM 428 N ILE 62 5.886 -6.759 0.414 1.00 0.00 ATOM 429 CA ILE 62 4.992 -6.537 1.554 1.00 0.00 ATOM 430 CB ILE 62 4.007 -5.385 1.282 1.00 0.00 ATOM 431 CG1 ILE 62 3.141 -5.700 0.060 1.00 0.00 ATOM 432 CG2 ILE 62 4.762 -4.090 1.017 1.00 0.00 ATOM 433 CD1 ILE 62 1.970 -4.758 -0.116 1.00 0.00 ATOM 434 O ILE 62 3.130 -7.666 2.551 1.00 0.00 ATOM 435 C ILE 62 4.155 -7.773 1.878 1.00 0.00 ATOM 436 N LYS 63 4.593 -8.955 1.451 1.00 0.00 ATOM 437 CA LYS 63 3.820 -10.175 1.713 1.00 0.00 ATOM 438 CB LYS 63 4.403 -11.356 0.934 1.00 0.00 ATOM 439 CG LYS 63 4.228 -11.253 -0.572 1.00 0.00 ATOM 440 CD LYS 63 4.856 -12.442 -1.283 1.00 0.00 ATOM 441 CE LYS 63 4.651 -12.357 -2.787 1.00 0.00 ATOM 442 NZ LYS 63 5.275 -13.507 -3.498 1.00 0.00 ATOM 443 O LYS 63 2.897 -11.291 3.592 1.00 0.00 ATOM 444 C LYS 63 3.807 -10.573 3.187 1.00 0.00 ATOM 445 N GLY 64 4.778 -10.130 3.979 1.00 0.00 ATOM 446 CA GLY 64 4.827 -10.489 5.398 1.00 0.00 ATOM 447 O GLY 64 6.707 -9.562 6.582 1.00 0.00 ATOM 448 C GLY 64 5.542 -9.407 6.208 1.00 0.00 ATOM 449 N LYS 65 4.822 -8.314 6.461 1.00 0.00 ATOM 450 CA LYS 65 5.374 -7.171 7.172 1.00 0.00 ATOM 451 CB LYS 65 5.744 -6.058 6.189 1.00 0.00 ATOM 452 CG LYS 65 6.731 -6.482 5.114 1.00 0.00 ATOM 453 CD LYS 65 8.114 -6.724 5.697 1.00 0.00 ATOM 454 CE LYS 65 9.107 -7.117 4.618 1.00 0.00 ATOM 455 NZ LYS 65 10.449 -7.430 5.185 1.00 0.00 ATOM 456 O LYS 65 3.137 -6.946 8.063 1.00 0.00 ATOM 457 C LYS 65 4.335 -6.643 8.153 1.00 0.00 ATOM 458 N THR 66 4.807 -5.814 9.073 1.00 0.00 ATOM 459 CA THR 66 3.930 -5.024 9.934 1.00 0.00 ATOM 460 CB THR 66 4.730 -4.257 11.004 1.00 0.00 ATOM 461 CG2 THR 66 5.499 -5.224 11.890 1.00 0.00 ATOM 462 OG1 THR 66 5.660 -3.373 10.364 1.00 0.00 ATOM 463 O THR 66 3.647 -3.481 8.138 1.00 0.00 ATOM 464 C THR 66 3.148 -4.008 9.127 1.00 0.00 ATOM 465 N LYS 67 1.934 -3.687 9.581 1.00 0.00 ATOM 466 CA LYS 67 1.149 -2.634 8.936 1.00 0.00 ATOM 467 CB LYS 67 -0.148 -2.384 9.707 1.00 0.00 ATOM 468 CG LYS 67 -1.050 -1.334 9.080 1.00 0.00 ATOM 469 CD LYS 67 -2.353 -1.193 9.852 1.00 0.00 ATOM 470 CE LYS 67 -3.241 -0.121 9.242 1.00 0.00 ATOM 471 NZ LYS 67 -4.516 0.038 9.996 1.00 0.00 ATOM 472 O LYS 67 1.876 -0.594 7.871 1.00 0.00 ATOM 473 C LYS 67 1.925 -1.310 8.876 1.00 0.00 ATOM 474 N VAL 68 2.647 -0.985 9.951 1.00 0.00 ATOM 475 CA VAL 68 3.399 0.266 9.993 1.00 0.00 ATOM 476 CB VAL 68 4.125 0.442 11.340 1.00 0.00 ATOM 477 CG1 VAL 68 5.056 1.645 11.290 1.00 0.00 ATOM 478 CG2 VAL 68 3.121 0.658 12.463 1.00 0.00 ATOM 479 O VAL 68 4.742 1.389 8.341 1.00 0.00 ATOM 480 C VAL 68 4.459 0.319 8.892 1.00 0.00 ATOM 481 N GLU 69 5.064 -0.830 8.606 1.00 0.00 ATOM 482 CA GLU 69 6.073 -0.948 7.564 1.00 0.00 ATOM 483 CB GLU 69 6.765 -2.310 7.639 1.00 0.00 ATOM 484 CG GLU 69 7.882 -2.496 6.624 1.00 0.00 ATOM 485 CD GLU 69 8.582 -3.833 6.767 1.00 0.00 ATOM 486 OE1 GLU 69 8.199 -4.611 7.666 1.00 0.00 ATOM 487 OE2 GLU 69 9.512 -4.102 5.979 1.00 0.00 ATOM 488 O GLU 69 6.062 -0.218 5.265 1.00 0.00 ATOM 489 C GLU 69 5.462 -0.810 6.175 1.00 0.00 ATOM 490 N VAL 70 4.262 -1.361 5.978 1.00 0.00 ATOM 491 CA VAL 70 3.566 -1.208 4.706 1.00 0.00 ATOM 492 CB VAL 70 2.270 -2.039 4.670 1.00 0.00 ATOM 493 CG1 VAL 70 1.470 -1.721 3.416 1.00 0.00 ATOM 494 CG2 VAL 70 2.589 -3.526 4.672 1.00 0.00 ATOM 495 O VAL 70 3.363 0.786 3.373 1.00 0.00 ATOM 496 C VAL 70 3.191 0.255 4.467 1.00 0.00 ATOM 497 N ALA 71 2.640 0.918 5.490 1.00 0.00 ATOM 498 CA ALA 71 2.321 2.337 5.381 1.00 0.00 ATOM 499 CB ALA 71 1.752 2.856 6.693 1.00 0.00 ATOM 500 O ALA 71 3.569 3.959 4.138 1.00 0.00 ATOM 501 C ALA 71 3.576 3.132 5.044 1.00 0.00 ATOM 502 N LYS 72 4.669 2.854 5.749 1.00 0.00 ATOM 503 CA LYS 72 5.932 3.571 5.507 1.00 0.00 ATOM 504 CB LYS 72 7.031 3.046 6.432 1.00 0.00 ATOM 505 CG LYS 72 6.843 3.419 7.893 1.00 0.00 ATOM 506 CD LYS 72 7.970 2.868 8.753 1.00 0.00 ATOM 507 CE LYS 72 7.769 3.222 10.218 1.00 0.00 ATOM 508 NZ LYS 72 8.849 2.660 11.077 1.00 0.00 ATOM 509 O LYS 72 6.840 4.332 3.422 1.00 0.00 ATOM 510 C LYS 72 6.393 3.384 4.058 1.00 0.00 ATOM 511 N MET 73 6.279 2.171 3.540 1.00 0.00 ATOM 512 CA MET 73 6.710 1.893 2.183 1.00 0.00 ATOM 513 CB MET 73 6.491 0.418 1.843 1.00 0.00 ATOM 514 CG MET 73 7.426 -0.532 2.574 1.00 0.00 ATOM 515 SD MET 73 7.098 -2.263 2.189 1.00 0.00 ATOM 516 CE MET 73 8.302 -3.077 3.235 1.00 0.00 ATOM 517 O MET 73 6.488 3.231 0.195 1.00 0.00 ATOM 518 C MET 73 5.931 2.732 1.167 1.00 0.00 ATOM 519 N ILE 74 4.638 2.911 1.404 1.00 0.00 ATOM 520 CA ILE 74 3.816 3.746 0.523 1.00 0.00 ATOM 521 CB ILE 74 2.321 3.640 0.878 1.00 0.00 ATOM 522 CG1 ILE 74 1.797 2.237 0.565 1.00 0.00 ATOM 523 CG2 ILE 74 1.510 4.647 0.076 1.00 0.00 ATOM 524 CD1 ILE 74 0.418 1.962 1.121 1.00 0.00 ATOM 525 O ILE 74 4.166 5.938 -0.375 1.00 0.00 ATOM 526 C ILE 74 4.196 5.220 0.618 1.00 0.00 ATOM 527 N GLN 75 4.537 5.670 1.817 1.00 0.00 ATOM 528 CA GLN 75 4.929 7.063 2.024 1.00 0.00 ATOM 529 CB GLN 75 4.836 7.431 3.507 1.00 0.00 ATOM 530 CG GLN 75 3.417 7.469 4.049 1.00 0.00 ATOM 531 CD GLN 75 3.368 7.769 5.534 1.00 0.00 ATOM 532 OE1 GLN 75 4.405 7.905 6.184 1.00 0.00 ATOM 533 NE2 GLN 75 2.161 7.873 6.078 1.00 0.00 ATOM 534 O GLN 75 6.679 8.484 1.162 1.00 0.00 ATOM 535 C GLN 75 6.386 7.350 1.567 1.00 0.00 ATOM 536 N GLU 76 7.263 6.341 1.574 1.00 0.00 ATOM 537 CA GLU 76 8.679 6.509 1.172 1.00 0.00 ATOM 538 CB GLU 76 9.525 5.347 1.697 1.00 0.00 ATOM 539 CG GLU 76 9.622 5.286 3.212 1.00 0.00 ATOM 540 CD GLU 76 10.408 4.084 3.698 1.00 0.00 ATOM 541 OE1 GLU 76 10.866 3.290 2.850 1.00 0.00 ATOM 542 OE2 GLU 76 10.568 3.936 4.928 1.00 0.00 ATOM 543 O GLU 76 9.979 6.462 -0.848 1.00 0.00 ATOM 544 C GLU 76 8.853 6.552 -0.351 1.00 0.00 ATOM 545 N VAL 77 7.753 6.687 -1.092 1.00 0.00 ATOM 546 CA VAL 77 7.800 6.674 -2.552 1.00 0.00 ATOM 547 CB VAL 77 6.620 5.885 -3.149 1.00 0.00 ATOM 548 CG1 VAL 77 6.640 5.965 -4.668 1.00 0.00 ATOM 549 CG2 VAL 77 6.699 4.422 -2.744 1.00 0.00 ATOM 550 O VAL 77 7.128 8.990 -2.600 1.00 0.00 ATOM 551 C VAL 77 7.743 8.077 -3.165 1.00 0.00 ATOM 552 N LYS 78 8.377 8.204 -4.334 1.00 0.00 ATOM 553 CA LYS 78 8.477 9.457 -5.104 1.00 0.00 ATOM 554 CB LYS 78 9.636 9.382 -6.099 1.00 0.00 ATOM 555 CG LYS 78 11.010 9.352 -5.452 1.00 0.00 ATOM 556 CD LYS 78 12.113 9.318 -6.495 1.00 0.00 ATOM 557 CE LYS 78 13.488 9.270 -5.847 1.00 0.00 ATOM 558 NZ LYS 78 14.578 9.220 -6.860 1.00 0.00 ATOM 559 O LYS 78 6.131 9.240 -5.457 1.00 0.00 ATOM 560 C LYS 78 7.182 9.708 -5.884 1.00 0.00 ATOM 561 N GLY 79 7.242 10.406 -7.025 1.00 0.00 ATOM 562 CA GLY 79 6.007 10.721 -7.757 1.00 0.00 ATOM 563 O GLY 79 4.229 9.338 -8.456 1.00 0.00 ATOM 564 C GLY 79 5.416 9.537 -8.517 1.00 0.00 ATOM 565 N GLU 80 6.227 8.742 -9.218 1.00 0.00 ATOM 566 CA GLU 80 5.716 7.504 -9.852 1.00 0.00 ATOM 567 CB GLU 80 6.421 7.254 -11.187 1.00 0.00 ATOM 568 CG GLU 80 6.112 8.288 -12.255 1.00 0.00 ATOM 569 CD GLU 80 6.868 8.037 -13.546 1.00 0.00 ATOM 570 OE1 GLU 80 7.653 7.068 -13.595 1.00 0.00 ATOM 571 OE2 GLU 80 6.673 8.810 -14.508 1.00 0.00 ATOM 572 O GLU 80 7.095 6.177 -8.428 1.00 0.00 ATOM 573 C GLU 80 5.978 6.342 -8.919 1.00 0.00 ATOM 574 N VAL 81 4.959 5.523 -8.709 1.00 0.00 ATOM 575 CA VAL 81 4.999 4.459 -7.737 1.00 0.00 ATOM 576 CB VAL 81 4.105 4.770 -6.522 1.00 0.00 ATOM 577 CG1 VAL 81 4.143 3.623 -5.525 1.00 0.00 ATOM 578 CG2 VAL 81 4.580 6.034 -5.820 1.00 0.00 ATOM 579 O VAL 81 3.414 3.095 -8.902 1.00 0.00 ATOM 580 C VAL 81 4.511 3.159 -8.367 1.00 0.00 ATOM 581 N THR 82 5.348 2.130 -8.298 1.00 0.00 ATOM 582 CA THR 82 4.995 0.793 -8.767 1.00 0.00 ATOM 583 CB THR 82 6.243 -0.007 -9.182 1.00 0.00 ATOM 584 CG2 THR 82 5.853 -1.404 -9.641 1.00 0.00 ATOM 585 OG1 THR 82 6.910 0.664 -10.258 1.00 0.00 ATOM 586 O THR 82 4.823 -0.082 -6.536 1.00 0.00 ATOM 587 C THR 82 4.286 0.042 -7.649 1.00 0.00 ATOM 588 N ILE 83 3.099 -0.475 -7.958 1.00 0.00 ATOM 589 CA ILE 83 2.306 -1.234 -7.010 1.00 0.00 ATOM 590 CB ILE 83 1.000 -0.501 -6.653 1.00 0.00 ATOM 591 CG1 ILE 83 1.305 0.854 -6.013 1.00 0.00 ATOM 592 CG2 ILE 83 0.178 -1.324 -5.672 1.00 0.00 ATOM 593 CD1 ILE 83 0.086 1.728 -5.822 1.00 0.00 ATOM 594 O ILE 83 1.474 -2.625 -8.770 1.00 0.00 ATOM 595 C ILE 83 1.980 -2.571 -7.659 1.00 0.00 ATOM 596 N HIS 84 2.269 -3.657 -6.969 1.00 0.00 ATOM 597 CA HIS 84 1.962 -4.992 -7.461 1.00 0.00 ATOM 598 CB HIS 84 3.221 -5.862 -7.468 1.00 0.00 ATOM 599 CG HIS 84 4.350 -5.285 -8.261 1.00 0.00 ATOM 600 CD2 HIS 84 5.648 -4.705 -7.950 1.00 0.00 ATOM 601 ND1 HIS 84 4.328 -5.204 -9.638 1.00 0.00 ATOM 602 CE1 HIS 84 5.474 -4.643 -10.061 1.00 0.00 ATOM 603 NE2 HIS 84 6.271 -4.342 -9.054 1.00 0.00 ATOM 604 O HIS 84 1.144 -5.593 -5.304 1.00 0.00 ATOM 605 C HIS 84 0.922 -5.569 -6.516 1.00 0.00 ATOM 609 N LYS 87 -5.258 -9.961 -7.090 1.00 0.00 ATOM 610 CA LYS 87 -6.699 -9.787 -7.107 1.00 0.00 ATOM 611 CB LYS 87 -7.229 -9.849 -8.541 1.00 0.00 ATOM 612 CG LYS 87 -6.786 -8.688 -9.416 1.00 0.00 ATOM 613 CD LYS 87 -7.341 -8.816 -10.826 1.00 0.00 ATOM 614 CE LYS 87 -6.951 -7.624 -11.685 1.00 0.00 ATOM 615 NZ LYS 87 -7.483 -7.738 -13.069 1.00 0.00 ATOM 616 O LYS 87 -6.605 -11.869 -5.924 1.00 0.00 ATOM 617 C LYS 87 -7.301 -10.912 -6.280 1.00 0.00 ATOM 618 N LEU 88 -8.563 -10.757 -5.868 1.00 0.00 ATOM 619 CA LEU 88 -9.156 -11.784 -5.007 1.00 0.00 ATOM 620 CB LEU 88 -10.630 -11.472 -4.740 1.00 0.00 ATOM 621 CG LEU 88 -10.928 -10.129 -4.071 1.00 0.00 ATOM 622 CD1 LEU 88 -12.429 -9.896 -3.977 1.00 0.00 ATOM 623 CD2 LEU 88 -10.351 -10.088 -2.664 1.00 0.00 ATOM 624 O LEU 88 -9.296 -13.307 -6.836 1.00 0.00 ATOM 625 C LEU 88 -9.082 -13.156 -5.637 1.00 0.00 TER END