PFRMAT TS TARGET T0367 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 New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD METHOD We concentrated on modeling the variable region 50-98 based on 1wol METHOD and 1ufb. We're aware that 1o3uA is also a potential template and that METHOD it looks quite different from 1wol and 1ufb, but we have not had time METHOD to build a model based on it. METHOD METHOD - Model 1: try12-opt2, our best-scoring model. This is a re-optimized METHOD version of try6 and try7. In try6 and try7 we tried to correct certain METHOD features of our automated runs (e.g. try2, submitted as Model 5 below) METHOD that we thought were wrong: a short helix around the conserved His56 METHOD and the region immediately preceding the final helix. METHOD METHOD - Model 2: try13-opt2, a well-scoring model closest to the two METHOD templates. It is a re-optimized version of try8 and try9, which METHOD attempted to keep the regions around His56 and just before the final METHOD helix even closer to the templates than try6/try7 mentioned above. METHOD METHOD - Model 3: try4-opt2. Our second-best model scorewise. This was an METHOD attempt to improve the packing of our automated runs (try1 and try2). METHOD METHOD - Model 4: try6-opt2.gromacs0.repack-nonPC.pdb. Rosetta favourite. METHOD METHOD - Model 5: try2-opt2. An automated run using our favourite secondary METHOD structure neural network, str2 (instead of consensus predictions). REMARK 6 REMARK 6 T0367 model 4 Sun Jul 30 22:59:09 2006 MODEL 4 PARENT 1wol_A 1ufb_A 1o3u_A REMARK 7 REMARK 7 ALLPARENTS 1wol_A 1ufb_A 1o3u_A ATOM 1 N MET 1 -22.820 -3.146 1.910 1.00 0.00 ATOM 2 CA MET 1 -21.922 -2.548 0.946 1.00 0.00 ATOM 3 CB MET 1 -20.883 -1.685 1.659 1.00 0.00 ATOM 4 CG MET 1 -21.458 -0.468 2.371 1.00 0.00 ATOM 5 SD MET 1 -22.329 0.647 1.251 1.00 0.00 ATOM 6 CE MET 1 -20.971 1.250 0.251 1.00 0.00 ATOM 7 O MET 1 -20.115 -4.009 0.319 1.00 0.00 ATOM 8 C MET 1 -21.288 -3.686 0.158 1.00 0.00 ATOM 9 N ASP 2 -22.038 -4.179 -0.802 1.00 0.00 ATOM 10 CA ASP 2 -21.558 -5.302 -1.625 1.00 0.00 ATOM 11 CB ASP 2 -22.573 -5.637 -2.721 1.00 0.00 ATOM 12 CG ASP 2 -23.836 -6.324 -2.220 1.00 0.00 ATOM 13 OD1 ASP 2 -23.849 -6.747 -1.089 1.00 0.00 ATOM 14 OD2 ASP 2 -24.825 -6.283 -2.912 1.00 0.00 ATOM 15 O ASP 2 -19.191 -5.732 -2.065 1.00 0.00 ATOM 16 C ASP 2 -20.187 -5.039 -2.278 1.00 0.00 ATOM 17 N GLU 3 -20.072 -3.843 -2.823 1.00 0.00 ATOM 18 CA GLU 3 -18.864 -3.437 -3.557 1.00 0.00 ATOM 19 CB GLU 3 -19.106 -2.122 -4.302 1.00 0.00 ATOM 20 CG GLU 3 -20.058 -2.234 -5.483 1.00 0.00 ATOM 21 CD GLU 3 -20.328 -0.889 -6.098 1.00 0.00 ATOM 22 OE1 GLU 3 -19.845 0.088 -5.577 1.00 0.00 ATOM 23 OE2 GLU 3 -20.922 -0.846 -7.149 1.00 0.00 ATOM 24 O GLU 3 -16.533 -3.594 -2.949 1.00 0.00 ATOM 25 C GLU 3 -17.682 -3.302 -2.607 1.00 0.00 ATOM 26 N LEU 4 -17.970 -2.867 -1.384 1.00 0.00 ATOM 27 CA LEU 4 -16.962 -2.794 -0.326 1.00 0.00 ATOM 28 CB LEU 4 -17.555 -2.138 0.927 1.00 0.00 ATOM 29 CG LEU 4 -17.067 -0.712 1.211 1.00 0.00 ATOM 30 CD1 LEU 4 -16.947 0.068 -0.092 1.00 0.00 ATOM 31 CD2 LEU 4 -18.032 -0.023 2.164 1.00 0.00 ATOM 32 O LEU 4 -15.148 -4.268 0.129 1.00 0.00 ATOM 33 C LEU 4 -16.367 -4.170 0.058 1.00 0.00 ATOM 34 N GLU 5 -17.192 -5.223 0.064 1.00 0.00 ATOM 35 CA GLU 5 -16.726 -6.595 0.324 1.00 0.00 ATOM 36 CB GLU 5 -17.915 -7.552 0.443 1.00 0.00 ATOM 37 CG GLU 5 -17.536 -8.988 0.772 1.00 0.00 ATOM 38 CD GLU 5 -18.756 -9.854 0.924 1.00 0.00 ATOM 39 OE1 GLU 5 -19.842 -9.346 0.788 1.00 0.00 ATOM 40 OE2 GLU 5 -18.601 -11.045 1.064 1.00 0.00 ATOM 41 O GLU 5 -14.705 -7.665 -0.446 1.00 0.00 ATOM 42 C GLU 5 -15.768 -7.119 -0.755 1.00 0.00 ATOM 43 N LEU 6 -16.106 -6.853 -2.009 1.00 0.00 ATOM 44 CA LEU 6 -15.235 -7.272 -3.135 1.00 0.00 ATOM 45 CB LEU 6 -15.918 -6.971 -4.475 1.00 0.00 ATOM 46 CG LEU 6 -17.142 -7.840 -4.794 1.00 0.00 ATOM 47 CD1 LEU 6 -17.835 -7.326 -6.048 1.00 0.00 ATOM 48 CD2 LEU 6 -16.705 -9.287 -4.972 1.00 0.00 ATOM 49 O LEU 6 -12.813 -7.206 -3.196 1.00 0.00 ATOM 50 C LEU 6 -13.867 -6.586 -3.077 1.00 0.00 ATOM 51 N ARG 7 -13.918 -5.290 -2.770 1.00 0.00 ATOM 52 CA ARG 7 -12.703 -4.481 -2.602 1.00 0.00 ATOM 53 CB ARG 7 -13.008 -2.991 -2.555 1.00 0.00 ATOM 54 CG ARG 7 -13.605 -2.420 -3.832 1.00 0.00 ATOM 55 CD ARG 7 -12.688 -2.443 -5.000 1.00 0.00 ATOM 56 NE ARG 7 -13.221 -1.814 -6.197 1.00 0.00 ATOM 57 CZ ARG 7 -12.632 -1.851 -7.408 1.00 0.00 ATOM 58 NH1 ARG 7 -11.474 -2.450 -7.581 1.00 0.00 ATOM 59 NH2 ARG 7 -13.237 -1.246 -8.416 1.00 0.00 ATOM 60 O ARG 7 -10.659 -5.064 -1.512 1.00 0.00 ATOM 61 C ARG 7 -11.873 -4.904 -1.375 1.00 0.00 ATOM 62 N ILE 8 -12.568 -5.271 -0.297 1.00 0.00 ATOM 63 CA ILE 8 -11.907 -5.772 0.919 1.00 0.00 ATOM 64 CB ILE 8 -12.919 -6.009 2.055 1.00 0.00 ATOM 65 CG1 ILE 8 -13.457 -4.676 2.579 1.00 0.00 ATOM 66 CG2 ILE 8 -12.279 -6.808 3.180 1.00 0.00 ATOM 67 CD1 ILE 8 -12.391 -3.772 3.157 1.00 0.00 ATOM 68 O ILE 8 -10.004 -7.248 1.066 1.00 0.00 ATOM 69 C ILE 8 -11.145 -7.086 0.634 1.00 0.00 ATOM 70 N ARG 9 -11.773 -7.927 -0.166 1.00 0.00 ATOM 71 CA ARG 9 -11.175 -9.211 -0.547 1.00 0.00 ATOM 72 CB ARG 9 -12.157 -10.102 -1.293 1.00 0.00 ATOM 73 CG ARG 9 -13.299 -10.642 -0.449 1.00 0.00 ATOM 74 CD ARG 9 -14.233 -11.537 -1.181 1.00 0.00 ATOM 75 NE ARG 9 -15.375 -11.986 -0.401 1.00 0.00 ATOM 76 CZ ARG 9 -15.344 -12.997 0.489 1.00 0.00 ATOM 77 NH1 ARG 9 -14.246 -13.691 0.687 1.00 0.00 ATOM 78 NH2 ARG 9 -16.456 -13.289 1.141 1.00 0.00 ATOM 79 O ARG 9 -8.888 -9.691 -1.127 1.00 0.00 ATOM 80 C ARG 9 -9.882 -9.018 -1.349 1.00 0.00 ATOM 81 N LYS 10 -9.906 -8.036 -2.258 1.00 0.00 ATOM 82 CA LYS 10 -8.707 -7.695 -3.050 1.00 0.00 ATOM 83 CB LYS 10 -9.018 -6.676 -4.130 1.00 0.00 ATOM 84 CG LYS 10 -9.945 -7.262 -5.171 1.00 0.00 ATOM 85 CD LYS 10 -10.071 -6.246 -6.285 1.00 0.00 ATOM 86 CE LYS 10 -10.986 -6.919 -7.272 1.00 0.00 ATOM 87 NZ LYS 10 -11.180 -6.047 -8.411 1.00 0.00 ATOM 88 O LYS 10 -6.420 -7.515 -2.440 1.00 0.00 ATOM 89 C LYS 10 -7.568 -7.146 -2.201 1.00 0.00 ATOM 90 N ALA 11 -7.906 -6.307 -1.220 1.00 0.00 ATOM 91 CA ALA 11 -6.918 -5.776 -0.264 1.00 0.00 ATOM 92 CB ALA 11 -7.581 -4.796 0.701 1.00 0.00 ATOM 93 O ALA 11 -5.044 -7.044 0.634 1.00 0.00 ATOM 94 C ALA 11 -6.259 -6.907 0.541 1.00 0.00 ATOM 95 N GLU 12 -7.073 -7.841 1.022 1.00 0.00 ATOM 96 CA GLU 12 -6.543 -9.039 1.716 1.00 0.00 ATOM 97 CB GLU 12 -7.642 -9.968 2.189 1.00 0.00 ATOM 98 CG GLU 12 -8.440 -9.306 3.295 1.00 0.00 ATOM 99 CD GLU 12 -9.619 -10.115 3.789 1.00 0.00 ATOM 100 OE1 GLU 12 -9.881 -11.182 3.191 1.00 0.00 ATOM 101 OE2 GLU 12 -10.164 -9.631 4.801 1.00 0.00 ATOM 102 O GLU 12 -4.563 -10.273 1.223 1.00 0.00 ATOM 103 C GLU 12 -5.660 -9.880 0.801 1.00 0.00 ATOM 104 N LYS 13 -6.095 -10.025 -0.447 1.00 0.00 ATOM 105 CA LYS 13 -5.321 -10.737 -1.471 1.00 0.00 ATOM 106 CB LYS 13 -6.071 -10.864 -2.800 1.00 0.00 ATOM 107 CG LYS 13 -7.221 -11.862 -2.696 1.00 0.00 ATOM 108 CD LYS 13 -7.845 -11.952 -4.083 1.00 0.00 ATOM 109 CE LYS 13 -9.058 -12.854 -4.096 1.00 0.00 ATOM 110 NZ LYS 13 -9.708 -12.915 -5.414 1.00 0.00 ATOM 111 O LYS 13 -2.949 -10.787 -1.659 1.00 0.00 ATOM 112 C LYS 13 -3.967 -10.102 -1.762 1.00 0.00 ATOM 113 N LEU 14 -3.963 -8.778 -1.845 1.00 0.00 ATOM 114 CA LEU 14 -2.708 -8.044 -2.063 1.00 0.00 ATOM 115 CB LEU 14 -3.003 -6.571 -2.376 1.00 0.00 ATOM 116 CG LEU 14 -3.677 -6.314 -3.729 1.00 0.00 ATOM 117 CD1 LEU 14 -4.074 -4.847 -3.844 1.00 0.00 ATOM 118 CD2 LEU 14 -2.728 -6.705 -4.852 1.00 0.00 ATOM 119 O LEU 14 -0.578 -8.341 -1.004 1.00 0.00 ATOM 120 C LEU 14 -1.777 -8.147 -0.859 1.00 0.00 ATOM 121 N VAL 15 -2.365 -8.117 0.334 1.00 0.00 ATOM 122 CA VAL 15 -1.556 -8.280 1.548 1.00 0.00 ATOM 123 CB VAL 15 -2.382 -8.004 2.819 1.00 0.00 ATOM 124 CG1 VAL 15 -1.581 -8.363 4.062 1.00 0.00 ATOM 125 CG2 VAL 15 -2.813 -6.546 2.868 1.00 0.00 ATOM 126 O VAL 15 0.205 -9.855 1.977 1.00 0.00 ATOM 127 C VAL 15 -0.957 -9.701 1.634 1.00 0.00 ATOM 128 N GLN 16 -1.719 -10.705 1.219 1.00 0.00 ATOM 129 CA GLN 16 -1.194 -12.087 1.130 1.00 0.00 ATOM 130 CB GLN 16 -2.305 -13.058 0.724 1.00 0.00 ATOM 131 CG GLN 16 -3.352 -13.292 1.800 1.00 0.00 ATOM 132 CD GLN 16 -4.489 -14.173 1.319 1.00 0.00 ATOM 133 OE1 GLN 16 -4.547 -14.550 0.146 1.00 0.00 ATOM 134 NE2 GLN 16 -5.403 -14.503 2.224 1.00 0.00 ATOM 135 O GLN 16 0.998 -12.779 0.468 1.00 0.00 ATOM 136 C GLN 16 -0.038 -12.210 0.139 1.00 0.00 ATOM 137 N ASP 17 -0.158 -11.487 -0.981 1.00 0.00 ATOM 138 CA ASP 17 0.889 -11.436 -2.004 1.00 0.00 ATOM 139 CB ASP 17 0.383 -10.714 -3.255 1.00 0.00 ATOM 140 CG ASP 17 -0.619 -11.512 -4.078 1.00 0.00 ATOM 141 OD1 ASP 17 -0.754 -12.688 -3.839 1.00 0.00 ATOM 142 OD2 ASP 17 -1.352 -10.912 -4.828 1.00 0.00 ATOM 143 O ASP 17 3.266 -11.342 -1.587 1.00 0.00 ATOM 144 C ASP 17 2.177 -10.750 -1.517 1.00 0.00 ATOM 145 N ALA 18 2.002 -9.617 -0.836 1.00 0.00 ATOM 146 CA ALA 18 3.124 -8.860 -0.227 1.00 0.00 ATOM 147 CB ALA 18 2.694 -7.602 0.511 1.00 0.00 ATOM 148 O ALA 18 5.051 -9.619 0.958 1.00 0.00 ATOM 149 C ALA 18 3.824 -9.656 0.853 1.00 0.00 ATOM 150 N LYS 19 3.032 -10.272 1.730 1.00 0.00 ATOM 151 CA LYS 19 3.583 -11.091 2.818 1.00 0.00 ATOM 152 CB LYS 19 2.457 -11.702 3.654 1.00 0.00 ATOM 153 CG LYS 19 2.932 -12.538 4.834 1.00 0.00 ATOM 154 CD LYS 19 1.759 -13.046 5.659 1.00 0.00 ATOM 155 CE LYS 19 2.231 -13.909 6.821 1.00 0.00 ATOM 156 NZ LYS 19 1.094 -14.419 7.632 1.00 0.00 ATOM 157 O LYS 19 5.601 -12.367 2.759 1.00 0.00 ATOM 158 C LYS 19 4.490 -12.193 2.267 1.00 0.00 ATOM 159 N LYS 20 4.044 -12.798 1.170 1.00 0.00 ATOM 160 CA LYS 20 4.851 -13.823 0.462 1.00 0.00 ATOM 161 CB LYS 20 4.036 -14.461 -0.664 1.00 0.00 ATOM 162 CG LYS 20 2.900 -15.356 -0.190 1.00 0.00 ATOM 163 CD LYS 20 2.137 -15.951 -1.365 1.00 0.00 ATOM 164 CE LYS 20 0.982 -16.821 -0.892 1.00 0.00 ATOM 165 NZ LYS 20 0.209 -17.386 -2.031 1.00 0.00 ATOM 166 O LYS 20 7.220 -13.832 0.113 1.00 0.00 ATOM 167 C LYS 20 6.153 -13.272 -0.116 1.00 0.00 ATOM 168 N GLU 21 6.058 -12.137 -0.794 1.00 0.00 ATOM 169 CA GLU 21 7.270 -11.466 -1.311 1.00 0.00 ATOM 170 CB GLU 21 6.890 -10.213 -2.104 1.00 0.00 ATOM 171 CG GLU 21 6.220 -10.495 -3.441 1.00 0.00 ATOM 172 CD GLU 21 5.767 -9.223 -4.104 1.00 0.00 ATOM 173 OE1 GLU 21 5.908 -8.182 -3.508 1.00 0.00 ATOM 174 OE2 GLU 21 5.386 -9.277 -5.249 1.00 0.00 ATOM 175 O GLU 21 9.448 -11.291 -0.303 1.00 0.00 ATOM 176 C GLU 21 8.238 -11.091 -0.188 1.00 0.00 ATOM 177 N PHE 22 7.672 -10.615 0.934 1.00 0.00 ATOM 178 CA PHE 22 8.458 -10.246 2.122 1.00 0.00 ATOM 179 CB PHE 22 7.557 -9.609 3.182 1.00 0.00 ATOM 180 CG PHE 22 8.222 -9.434 4.517 1.00 0.00 ATOM 181 CD1 PHE 22 9.098 -8.383 4.739 1.00 0.00 ATOM 182 CD2 PHE 22 7.975 -10.322 5.553 1.00 0.00 ATOM 183 CE1 PHE 22 9.712 -8.221 5.967 1.00 0.00 ATOM 184 CE2 PHE 22 8.585 -10.162 6.782 1.00 0.00 ATOM 185 CZ PHE 22 9.455 -9.110 6.989 1.00 0.00 ATOM 186 O PHE 22 10.396 -11.397 2.926 1.00 0.00 ATOM 187 C PHE 22 9.185 -11.458 2.712 1.00 0.00 ATOM 188 N GLU 23 8.453 -12.548 2.883 1.00 0.00 ATOM 189 CA GLU 23 9.032 -13.785 3.450 1.00 0.00 ATOM 190 CB GLU 23 7.936 -14.822 3.706 1.00 0.00 ATOM 191 CG GLU 23 6.999 -14.476 4.854 1.00 0.00 ATOM 192 CD GLU 23 5.901 -15.495 4.990 1.00 0.00 ATOM 193 OE1 GLU 23 5.844 -16.390 4.182 1.00 0.00 ATOM 194 OE2 GLU 23 5.189 -15.444 5.965 1.00 0.00 ATOM 195 O GLU 23 11.085 -14.974 3.017 1.00 0.00 ATOM 196 C GLU 23 10.111 -14.393 2.540 1.00 0.00 ATOM 197 N MET 24 10.045 -14.055 1.260 1.00 0.00 ATOM 198 CA MET 24 11.033 -14.518 0.270 1.00 0.00 ATOM 199 CB MET 24 10.356 -14.752 -1.080 1.00 0.00 ATOM 200 CG MET 24 9.363 -15.905 -1.095 1.00 0.00 ATOM 201 SD MET 24 8.694 -16.226 -2.739 1.00 0.00 ATOM 202 CE MET 24 7.641 -14.795 -2.960 1.00 0.00 ATOM 203 O MET 24 13.145 -13.850 -0.691 1.00 0.00 ATOM 204 C MET 24 12.212 -13.562 0.069 1.00 0.00 ATOM 205 N GLY 25 12.180 -12.444 0.795 1.00 0.00 ATOM 206 CA GLY 25 13.299 -11.471 0.893 1.00 0.00 ATOM 207 O GLY 25 14.300 -9.697 -0.374 1.00 0.00 ATOM 208 C GLY 25 13.289 -10.373 -0.172 1.00 0.00 ATOM 209 N LEU 26 12.137 -10.111 -0.780 1.00 0.00 ATOM 210 CA LEU 26 12.054 -9.009 -1.746 1.00 0.00 ATOM 211 CB LEU 26 11.258 -9.447 -2.982 1.00 0.00 ATOM 212 CG LEU 26 11.833 -10.653 -3.736 1.00 0.00 ATOM 213 CD1 LEU 26 10.922 -11.026 -4.897 1.00 0.00 ATOM 214 CD2 LEU 26 13.233 -10.321 -4.234 1.00 0.00 ATOM 215 O LEU 26 10.236 -7.472 -1.173 1.00 0.00 ATOM 216 C LEU 26 11.413 -7.816 -1.041 1.00 0.00 ATOM 217 N TYR 27 12.278 -7.192 -0.264 1.00 0.00 ATOM 218 CA TYR 27 12.003 -6.102 0.677 1.00 0.00 ATOM 219 CB TYR 27 13.292 -5.653 1.368 1.00 0.00 ATOM 220 CG TYR 27 13.860 -6.672 2.330 1.00 0.00 ATOM 221 CD1 TYR 27 15.229 -6.849 2.456 1.00 0.00 ATOM 222 CD2 TYR 27 13.022 -7.454 3.113 1.00 0.00 ATOM 223 CE1 TYR 27 15.753 -7.780 3.333 1.00 0.00 ATOM 224 CE2 TYR 27 13.535 -8.387 3.993 1.00 0.00 ATOM 225 CZ TYR 27 14.901 -8.547 4.101 1.00 0.00 ATOM 226 OH TYR 27 15.416 -9.474 4.977 1.00 0.00 ATOM 227 O TYR 27 10.296 -4.400 0.565 1.00 0.00 ATOM 228 C TYR 27 11.340 -4.848 0.086 1.00 0.00 ATOM 229 N GLU 28 11.924 -4.357 -1.001 1.00 0.00 ATOM 230 CA GLU 28 11.463 -3.139 -1.705 1.00 0.00 ATOM 231 CB GLU 28 12.308 -2.745 -2.920 1.00 0.00 ATOM 232 CG GLU 28 13.722 -2.237 -2.722 1.00 0.00 ATOM 233 CD GLU 28 13.992 -0.836 -2.140 1.00 0.00 ATOM 234 OE1 GLU 28 15.206 -0.511 -2.119 1.00 0.00 ATOM 235 OE2 GLU 28 13.030 -0.202 -1.658 1.00 0.00 ATOM 236 O GLU 28 9.159 -2.612 -2.099 1.00 0.00 ATOM 237 C GLU 28 10.087 -3.388 -2.305 1.00 0.00 ATOM 238 N ARG 29 9.975 -4.572 -2.892 1.00 0.00 ATOM 239 CA ARG 29 8.696 -5.047 -3.449 1.00 0.00 ATOM 240 CB ARG 29 8.856 -6.340 -4.234 1.00 0.00 ATOM 241 CG ARG 29 9.584 -6.196 -5.562 1.00 0.00 ATOM 242 CD ARG 29 9.548 -7.411 -6.415 1.00 0.00 ATOM 243 NE ARG 29 10.261 -7.284 -7.676 1.00 0.00 ATOM 244 CZ ARG 29 10.430 -8.283 -8.563 1.00 0.00 ATOM 245 NH1 ARG 29 9.972 -9.491 -8.319 1.00 0.00 ATOM 246 NH2 ARG 29 11.088 -8.021 -9.679 1.00 0.00 ATOM 247 O ARG 29 6.498 -4.729 -2.558 1.00 0.00 ATOM 248 C ARG 29 7.621 -5.191 -2.372 1.00 0.00 ATOM 249 N CYS 30 8.033 -5.652 -1.196 1.00 0.00 ATOM 250 CA CYS 30 7.121 -5.745 -0.047 1.00 0.00 ATOM 251 CB CYS 30 7.794 -6.449 1.139 1.00 0.00 ATOM 252 SG CYS 30 6.550 -6.647 2.453 1.00 0.00 ATOM 253 O CYS 30 5.437 -4.178 0.699 1.00 0.00 ATOM 254 C CYS 30 6.617 -4.362 0.393 1.00 0.00 ATOM 255 N CYS 31 7.528 -3.407 0.404 1.00 0.00 ATOM 256 CA CYS 31 7.217 -2.008 0.759 1.00 0.00 ATOM 257 CB CYS 31 8.518 -1.221 0.820 1.00 0.00 ATOM 258 SG CYS 31 9.470 -1.682 2.303 1.00 0.00 ATOM 259 O CYS 31 5.251 -0.771 0.120 1.00 0.00 ATOM 260 C CYS 31 6.265 -1.360 -0.252 1.00 0.00 ATOM 261 N SER 32 6.565 -1.602 -1.524 1.00 0.00 ATOM 262 CA SER 32 5.715 -1.136 -2.633 1.00 0.00 ATOM 263 CB SER 32 6.354 -1.485 -3.962 1.00 0.00 ATOM 264 OG SER 32 5.569 -1.075 -5.048 1.00 0.00 ATOM 265 O SER 32 3.305 -1.032 -2.480 1.00 0.00 ATOM 266 C SER 32 4.311 -1.748 -2.526 1.00 0.00 ATOM 267 N THR 33 4.279 -3.047 -2.264 1.00 0.00 ATOM 268 CA THR 33 3.001 -3.758 -2.108 1.00 0.00 ATOM 269 CB THR 33 3.215 -5.273 -1.941 1.00 0.00 ATOM 270 CG2 THR 33 3.695 -5.891 -3.244 1.00 0.00 ATOM 271 OG1 THR 33 4.189 -5.511 -0.916 1.00 0.00 ATOM 272 O THR 33 0.977 -3.096 -0.988 1.00 0.00 ATOM 273 C THR 33 2.204 -3.243 -0.914 1.00 0.00 ATOM 274 N ALA 34 2.891 -2.875 0.160 1.00 0.00 ATOM 275 CA ALA 34 2.188 -2.307 1.324 1.00 0.00 ATOM 276 CB ALA 34 3.105 -2.322 2.524 1.00 0.00 ATOM 277 O ALA 34 0.449 -0.675 1.344 1.00 0.00 ATOM 278 C ALA 34 1.617 -0.911 1.040 1.00 0.00 ATOM 279 N TYR 35 2.353 -0.084 0.301 1.00 0.00 ATOM 280 CA TYR 35 1.796 1.192 -0.177 1.00 0.00 ATOM 281 CB TYR 35 2.861 1.993 -0.930 1.00 0.00 ATOM 282 CG TYR 35 2.314 3.186 -1.682 1.00 0.00 ATOM 283 CD1 TYR 35 1.994 4.360 -1.017 1.00 0.00 ATOM 284 CD2 TYR 35 2.121 3.135 -3.054 1.00 0.00 ATOM 285 CE1 TYR 35 1.493 5.454 -1.698 1.00 0.00 ATOM 286 CE2 TYR 35 1.622 4.221 -3.746 1.00 0.00 ATOM 287 CZ TYR 35 1.309 5.379 -3.064 1.00 0.00 ATOM 288 OH TYR 35 0.812 6.465 -3.748 1.00 0.00 ATOM 289 O TYR 35 -0.469 1.586 -0.915 1.00 0.00 ATOM 290 C TYR 35 0.568 0.950 -1.084 1.00 0.00 ATOM 291 N TYR 36 0.658 -0.073 -1.924 1.00 0.00 ATOM 292 CA TYR 36 -0.435 -0.456 -2.839 1.00 0.00 ATOM 293 CB TYR 36 0.023 -1.570 -3.784 1.00 0.00 ATOM 294 CG TYR 36 1.065 -1.132 -4.788 1.00 0.00 ATOM 295 CD1 TYR 36 1.301 0.214 -5.030 1.00 0.00 ATOM 296 CD2 TYR 36 1.811 -2.066 -5.492 1.00 0.00 ATOM 297 CE1 TYR 36 2.251 0.619 -5.946 1.00 0.00 ATOM 298 CE2 TYR 36 2.764 -1.672 -6.411 1.00 0.00 ATOM 299 CZ TYR 36 2.981 -0.328 -6.636 1.00 0.00 ATOM 300 OH TYR 36 3.930 0.070 -7.550 1.00 0.00 ATOM 301 O TYR 36 -2.796 -0.458 -2.339 1.00 0.00 ATOM 302 C TYR 36 -1.687 -0.907 -2.064 1.00 0.00 ATOM 303 N ALA 37 -1.465 -1.689 -1.008 1.00 0.00 ATOM 304 CA ALA 37 -2.510 -2.128 -0.057 1.00 0.00 ATOM 305 CB ALA 37 -1.831 -2.862 1.110 1.00 0.00 ATOM 306 O ALA 37 -4.519 -0.899 0.445 1.00 0.00 ATOM 307 C ALA 37 -3.287 -0.953 0.525 1.00 0.00 ATOM 308 N MET 38 -2.521 0.024 1.002 1.00 0.00 ATOM 309 CA MET 38 -3.075 1.255 1.587 1.00 0.00 ATOM 310 CB MET 38 -1.953 2.112 2.171 1.00 0.00 ATOM 311 CG MET 38 -1.296 1.529 3.414 1.00 0.00 ATOM 312 SD MET 38 0.271 2.327 3.811 1.00 0.00 ATOM 313 CE MET 38 -0.294 3.945 4.327 1.00 0.00 ATOM 314 O MET 38 -4.997 2.492 0.820 1.00 0.00 ATOM 315 C MET 38 -3.868 2.059 0.554 1.00 0.00 ATOM 316 N PHE 39 -3.264 2.183 -0.626 1.00 0.00 ATOM 317 CA PHE 39 -3.823 2.864 -1.807 1.00 0.00 ATOM 318 CB PHE 39 -2.898 2.687 -3.013 1.00 0.00 ATOM 319 CG PHE 39 -3.508 3.125 -4.314 1.00 0.00 ATOM 320 CD1 PHE 39 -3.354 4.427 -4.766 1.00 0.00 ATOM 321 CD2 PHE 39 -4.237 2.235 -5.089 1.00 0.00 ATOM 322 CE1 PHE 39 -3.916 4.831 -5.963 1.00 0.00 ATOM 323 CE2 PHE 39 -4.798 2.635 -6.286 1.00 0.00 ATOM 324 CZ PHE 39 -4.637 3.935 -6.723 1.00 0.00 ATOM 325 O PHE 39 -6.208 3.076 -2.179 1.00 0.00 ATOM 326 C PHE 39 -5.220 2.333 -2.124 1.00 0.00 ATOM 327 N HIS 40 -5.230 1.039 -2.403 1.00 0.00 ATOM 328 CA HIS 40 -6.428 0.290 -2.834 1.00 0.00 ATOM 329 CB HIS 40 -6.076 -1.171 -3.129 1.00 0.00 ATOM 330 CG HIS 40 -7.248 -1.999 -3.556 1.00 0.00 ATOM 331 CD2 HIS 40 -8.096 -2.779 -2.845 1.00 0.00 ATOM 332 ND1 HIS 40 -7.661 -2.082 -4.869 1.00 0.00 ATOM 333 CE1 HIS 40 -8.713 -2.879 -4.947 1.00 0.00 ATOM 334 NE2 HIS 40 -8.996 -3.314 -3.733 1.00 0.00 ATOM 335 O HIS 40 -8.688 0.579 -2.114 1.00 0.00 ATOM 336 C HIS 40 -7.528 0.365 -1.768 1.00 0.00 ATOM 337 N ALA 41 -7.136 0.209 -0.517 1.00 0.00 ATOM 338 CA ALA 41 -8.084 0.220 0.616 1.00 0.00 ATOM 339 CB ALA 41 -7.316 -0.017 1.912 1.00 0.00 ATOM 340 O ALA 41 -10.020 1.674 0.739 1.00 0.00 ATOM 341 C ALA 41 -8.798 1.572 0.720 1.00 0.00 ATOM 342 N ALA 42 -8.008 2.612 0.574 1.00 0.00 ATOM 343 CA ALA 42 -8.532 3.974 0.683 1.00 0.00 ATOM 344 CB ALA 42 -7.322 4.777 1.122 1.00 0.00 ATOM 345 O ALA 42 -10.390 4.990 -0.433 1.00 0.00 ATOM 346 C ALA 42 -9.303 4.415 -0.573 1.00 0.00 ATOM 347 N LYS 43 -8.924 3.916 -1.750 1.00 0.00 ATOM 348 CA LYS 43 -9.758 4.106 -2.965 1.00 0.00 ATOM 349 CB LYS 43 -9.044 3.544 -4.196 1.00 0.00 ATOM 350 CG LYS 43 -9.688 3.924 -5.524 1.00 0.00 ATOM 351 CD LYS 43 -8.879 3.400 -6.700 1.00 0.00 ATOM 352 CE LYS 43 -9.534 3.758 -8.027 1.00 0.00 ATOM 353 NZ LYS 43 -8.760 3.239 -9.187 1.00 0.00 ATOM 354 O LYS 43 -12.168 3.999 -3.142 1.00 0.00 ATOM 355 C LYS 43 -11.124 3.443 -2.794 1.00 0.00 ATOM 356 N ALA 44 -11.094 2.274 -2.166 1.00 0.00 ATOM 357 CA ALA 44 -12.296 1.504 -1.825 1.00 0.00 ATOM 358 CB ALA 44 -11.824 0.179 -1.257 1.00 0.00 ATOM 359 O ALA 44 -14.422 2.283 -1.054 1.00 0.00 ATOM 360 C ALA 44 -13.214 2.232 -0.825 1.00 0.00 ATOM 361 N MET 45 -12.599 2.878 0.164 1.00 0.00 ATOM 362 CA MET 45 -13.301 3.711 1.144 1.00 0.00 ATOM 363 CB MET 45 -12.339 4.151 2.247 1.00 0.00 ATOM 364 CG MET 45 -11.893 3.033 3.177 1.00 0.00 ATOM 365 SD MET 45 -11.125 3.649 4.688 1.00 0.00 ATOM 366 CE MET 45 -9.532 4.180 4.066 1.00 0.00 ATOM 367 O MET 45 -15.081 5.282 0.706 1.00 0.00 ATOM 368 C MET 45 -13.936 4.934 0.466 1.00 0.00 ATOM 369 N LEU 46 -13.227 5.512 -0.492 1.00 0.00 ATOM 370 CA LEU 46 -13.794 6.639 -1.264 1.00 0.00 ATOM 371 CB LEU 46 -12.777 7.193 -2.262 1.00 0.00 ATOM 372 CG LEU 46 -11.623 7.937 -1.612 1.00 0.00 ATOM 373 CD1 LEU 46 -10.693 8.359 -2.746 1.00 0.00 ATOM 374 CD2 LEU 46 -12.088 9.153 -0.813 1.00 0.00 ATOM 375 O LEU 46 -16.060 6.912 -1.996 1.00 0.00 ATOM 376 C LEU 46 -15.040 6.239 -2.053 1.00 0.00 ATOM 377 N LEU 47 -14.941 5.074 -2.706 1.00 0.00 ATOM 378 CA LEU 47 -16.048 4.503 -3.493 1.00 0.00 ATOM 379 CB LEU 47 -15.600 3.203 -4.172 1.00 0.00 ATOM 380 CG LEU 47 -14.581 3.377 -5.305 1.00 0.00 ATOM 381 CD1 LEU 47 -14.078 2.015 -5.769 1.00 0.00 ATOM 382 CD2 LEU 47 -15.224 4.135 -6.456 1.00 0.00 ATOM 383 O LEU 47 -18.393 4.602 -3.047 1.00 0.00 ATOM 384 C LEU 47 -17.291 4.240 -2.636 1.00 0.00 ATOM 385 N GLY 48 -17.058 3.690 -1.451 1.00 0.00 ATOM 386 CA GLY 48 -18.119 3.412 -0.468 1.00 0.00 ATOM 387 O GLY 48 -20.088 4.608 0.238 1.00 0.00 ATOM 388 C GLY 48 -18.885 4.654 0.001 1.00 0.00 ATOM 389 N TYR 49 -18.203 5.792 -0.073 1.00 0.00 ATOM 390 CA TYR 49 -18.803 7.094 0.277 1.00 0.00 ATOM 391 CB TYR 49 -17.849 7.904 1.157 1.00 0.00 ATOM 392 CG TYR 49 -17.563 7.266 2.500 1.00 0.00 ATOM 393 CD1 TYR 49 -16.360 6.621 2.741 1.00 0.00 ATOM 394 CD2 TYR 49 -18.499 7.316 3.523 1.00 0.00 ATOM 395 CE1 TYR 49 -16.095 6.036 3.964 1.00 0.00 ATOM 396 CE2 TYR 49 -18.244 6.736 4.751 1.00 0.00 ATOM 397 CZ TYR 49 -17.040 6.097 4.968 1.00 0.00 ATOM 398 OH TYR 49 -16.781 5.519 6.189 1.00 0.00 ATOM 399 O TYR 49 -19.477 9.128 -0.852 1.00 0.00 ATOM 400 C TYR 49 -19.183 7.933 -0.956 1.00 0.00 ATOM 401 N GLY 50 -19.204 7.271 -2.107 1.00 0.00 ATOM 402 CA GLY 50 -19.664 7.861 -3.381 1.00 0.00 ATOM 403 O GLY 50 -19.118 9.826 -4.670 1.00 0.00 ATOM 404 C GLY 50 -18.703 8.849 -4.050 1.00 0.00 ATOM 405 N ARG 51 -17.416 8.681 -3.794 1.00 0.00 ATOM 406 CA ARG 51 -16.462 9.480 -4.575 1.00 0.00 ATOM 407 CB ARG 51 -15.459 10.203 -3.689 1.00 0.00 ATOM 408 CG ARG 51 -16.054 11.280 -2.796 1.00 0.00 ATOM 409 CD ARG 51 -15.058 12.013 -1.973 1.00 0.00 ATOM 410 NE ARG 51 -15.630 13.005 -1.076 1.00 0.00 ATOM 411 CZ ARG 51 -14.913 13.792 -0.249 1.00 0.00 ATOM 412 NH1 ARG 51 -13.605 13.681 -0.173 1.00 0.00 ATOM 413 NH2 ARG 51 -15.564 14.662 0.503 1.00 0.00 ATOM 414 O ARG 51 -15.224 7.621 -5.480 1.00 0.00 ATOM 415 C ARG 51 -15.703 8.742 -5.658 1.00 0.00 ATOM 416 N ASP 52 -15.578 9.507 -6.723 1.00 0.00 ATOM 417 CA ASP 52 -15.072 8.992 -8.005 1.00 0.00 ATOM 418 CB ASP 52 -16.059 9.302 -9.134 1.00 0.00 ATOM 419 CG ASP 52 -15.651 8.753 -10.494 1.00 0.00 ATOM 420 OD1 ASP 52 -14.588 8.186 -10.590 1.00 0.00 ATOM 421 OD2 ASP 52 -16.466 8.763 -11.385 1.00 0.00 ATOM 422 O ASP 52 -13.514 10.785 -8.485 1.00 0.00 ATOM 423 C ASP 52 -13.700 9.577 -8.333 1.00 0.00 ATOM 424 N SER 53 -12.725 8.682 -8.431 1.00 0.00 ATOM 425 CA SER 53 -11.380 9.075 -8.861 1.00 0.00 ATOM 426 CB SER 53 -10.387 8.850 -7.737 1.00 0.00 ATOM 427 OG SER 53 -10.298 7.499 -7.376 1.00 0.00 ATOM 428 O SER 53 -11.185 7.080 -10.162 1.00 0.00 ATOM 429 C SER 53 -10.974 8.292 -10.113 1.00 0.00 ATOM 430 N LYS 54 -10.197 8.937 -10.982 1.00 0.00 ATOM 431 CA LYS 54 -9.769 8.339 -12.263 1.00 0.00 ATOM 432 CB LYS 54 -10.011 9.314 -13.416 1.00 0.00 ATOM 433 CG LYS 54 -11.479 9.597 -13.703 1.00 0.00 ATOM 434 CD LYS 54 -11.639 10.579 -14.855 1.00 0.00 ATOM 435 CE LYS 54 -13.104 10.894 -15.116 1.00 0.00 ATOM 436 NZ LYS 54 -13.270 11.993 -16.105 1.00 0.00 ATOM 437 O LYS 54 -7.974 6.810 -12.797 1.00 0.00 ATOM 438 C LYS 54 -8.298 7.889 -12.338 1.00 0.00 ATOM 439 N THR 55 -7.412 8.667 -11.757 1.00 0.00 ATOM 440 CA THR 55 -5.956 8.438 -11.813 1.00 0.00 ATOM 441 CB THR 55 -5.210 9.675 -12.321 1.00 0.00 ATOM 442 CG2 THR 55 -5.644 9.926 -13.758 1.00 0.00 ATOM 443 OG1 THR 55 -5.379 10.800 -11.428 1.00 0.00 ATOM 444 O THR 55 -6.048 8.297 -9.405 1.00 0.00 ATOM 445 C THR 55 -5.413 8.079 -10.438 1.00 0.00 ATOM 446 N HIS 56 -4.196 7.561 -10.457 1.00 0.00 ATOM 447 CA HIS 56 -3.508 7.198 -9.207 1.00 0.00 ATOM 448 CB HIS 56 -2.122 6.615 -9.502 1.00 0.00 ATOM 449 CG HIS 56 -2.162 5.237 -10.086 1.00 0.00 ATOM 450 CD2 HIS 56 -1.761 4.768 -11.291 1.00 0.00 ATOM 451 ND1 HIS 56 -2.665 4.152 -9.400 1.00 0.00 ATOM 452 CE1 HIS 56 -2.572 3.074 -10.159 1.00 0.00 ATOM 453 NE2 HIS 56 -2.027 3.421 -11.310 1.00 0.00 ATOM 454 O HIS 56 -3.662 8.251 -7.048 1.00 0.00 ATOM 455 C HIS 56 -3.351 8.369 -8.237 1.00 0.00 ATOM 456 N ARG 57 -2.976 9.525 -8.781 1.00 0.00 ATOM 457 CA ARG 57 -2.856 10.761 -7.996 1.00 0.00 ATOM 458 CB ARG 57 -2.211 11.887 -8.792 1.00 0.00 ATOM 459 CG ARG 57 -0.728 11.705 -9.069 1.00 0.00 ATOM 460 CD ARG 57 -0.122 12.782 -9.893 1.00 0.00 ATOM 461 NE ARG 57 1.289 12.596 -10.188 1.00 0.00 ATOM 462 CZ ARG 57 2.024 13.416 -10.963 1.00 0.00 ATOM 463 NH1 ARG 57 1.481 14.458 -11.553 1.00 0.00 ATOM 464 NH2 ARG 57 3.303 13.133 -11.135 1.00 0.00 ATOM 465 O ARG 57 -4.223 11.592 -6.213 1.00 0.00 ATOM 466 C ARG 57 -4.180 11.232 -7.397 1.00 0.00 ATOM 467 N GLY 58 -5.202 11.219 -8.238 1.00 0.00 ATOM 468 CA GLY 58 -6.553 11.704 -7.881 1.00 0.00 ATOM 469 O GLY 58 -7.641 11.492 -5.740 1.00 0.00 ATOM 470 C GLY 58 -7.134 10.924 -6.699 1.00 0.00 ATOM 471 N THR 59 -6.875 9.616 -6.709 1.00 0.00 ATOM 472 CA THR 59 -7.426 8.731 -5.681 1.00 0.00 ATOM 473 CB THR 59 -7.121 7.253 -5.986 1.00 0.00 ATOM 474 CG2 THR 59 -7.487 6.377 -4.797 1.00 0.00 ATOM 475 OG1 THR 59 -7.872 6.834 -7.132 1.00 0.00 ATOM 476 O THR 59 -7.645 9.345 -3.383 1.00 0.00 ATOM 477 C THR 59 -6.874 9.083 -4.309 1.00 0.00 ATOM 478 N ILE 60 -5.552 9.034 -4.208 1.00 0.00 ATOM 479 CA ILE 60 -4.915 9.244 -2.897 1.00 0.00 ATOM 480 CB ILE 60 -3.385 9.097 -2.981 1.00 0.00 ATOM 481 CG1 ILE 60 -3.001 7.635 -3.221 1.00 0.00 ATOM 482 CG2 ILE 60 -2.730 9.621 -1.713 1.00 0.00 ATOM 483 CD1 ILE 60 -3.437 6.699 -2.117 1.00 0.00 ATOM 484 O ILE 60 -5.586 10.731 -1.145 1.00 0.00 ATOM 485 C ILE 60 -5.249 10.621 -2.321 1.00 0.00 ATOM 486 N TYR 61 -5.219 11.634 -3.180 1.00 0.00 ATOM 487 CA TYR 61 -5.508 13.011 -2.744 1.00 0.00 ATOM 488 CB TYR 61 -5.325 13.990 -3.905 1.00 0.00 ATOM 489 CG TYR 61 -5.631 15.428 -3.548 1.00 0.00 ATOM 490 CD1 TYR 61 -4.716 16.199 -2.847 1.00 0.00 ATOM 491 CD2 TYR 61 -6.834 16.011 -3.918 1.00 0.00 ATOM 492 CE1 TYR 61 -4.991 17.512 -2.518 1.00 0.00 ATOM 493 CE2 TYR 61 -7.120 17.324 -3.595 1.00 0.00 ATOM 494 CZ TYR 61 -6.195 18.071 -2.896 1.00 0.00 ATOM 495 OH TYR 61 -6.475 19.379 -2.573 1.00 0.00 ATOM 496 O TYR 61 -7.119 13.804 -1.137 1.00 0.00 ATOM 497 C TYR 61 -6.923 13.162 -2.172 1.00 0.00 ATOM 498 N LEU 62 -7.901 12.527 -2.832 1.00 0.00 ATOM 499 CA LEU 62 -9.272 12.479 -2.310 1.00 0.00 ATOM 500 CB LEU 62 -10.192 11.754 -3.300 1.00 0.00 ATOM 501 CG LEU 62 -10.616 12.578 -4.521 1.00 0.00 ATOM 502 CD1 LEU 62 -11.534 11.754 -5.416 1.00 0.00 ATOM 503 CD2 LEU 62 -11.313 13.849 -4.060 1.00 0.00 ATOM 504 O LEU 62 -9.926 12.316 0.012 1.00 0.00 ATOM 505 C LEU 62 -9.346 11.800 -0.938 1.00 0.00 ATOM 506 N ILE 63 -8.601 10.720 -0.774 1.00 0.00 ATOM 507 CA ILE 63 -8.516 10.063 0.553 1.00 0.00 ATOM 508 CB ILE 63 -7.591 8.847 0.478 1.00 0.00 ATOM 509 CG1 ILE 63 -8.226 7.806 -0.433 1.00 0.00 ATOM 510 CG2 ILE 63 -7.430 8.215 1.865 1.00 0.00 ATOM 511 CD1 ILE 63 -7.185 7.046 -1.246 1.00 0.00 ATOM 512 O ILE 63 -8.600 11.117 2.723 1.00 0.00 ATOM 513 C ILE 63 -8.042 11.076 1.620 1.00 0.00 ATOM 514 N TRP 64 -7.083 11.907 1.248 1.00 0.00 ATOM 515 CA TRP 64 -6.561 12.959 2.135 1.00 0.00 ATOM 516 CB TRP 64 -5.401 13.696 1.463 1.00 0.00 ATOM 517 CG TRP 64 -4.155 12.871 1.345 1.00 0.00 ATOM 518 CD1 TRP 64 -3.910 11.674 1.949 1.00 0.00 ATOM 519 CD2 TRP 64 -2.986 13.180 0.576 1.00 0.00 ATOM 520 CE2 TRP 64 -2.074 12.127 0.762 1.00 0.00 ATOM 521 CE3 TRP 64 -2.624 14.249 -0.252 1.00 0.00 ATOM 522 NE1 TRP 64 -2.661 11.219 1.606 1.00 0.00 ATOM 523 CZ2 TRP 64 -0.828 12.108 0.156 1.00 0.00 ATOM 524 CZ3 TRP 64 -1.375 14.229 -0.861 1.00 0.00 ATOM 525 CH2 TRP 64 -0.503 13.188 -0.663 1.00 0.00 ATOM 526 O TRP 64 -7.818 14.143 3.753 1.00 0.00 ATOM 527 C TRP 64 -7.614 13.981 2.555 1.00 0.00 ATOM 528 N GLU 65 -8.424 14.369 1.581 1.00 0.00 ATOM 529 CA GLU 65 -9.548 15.288 1.814 1.00 0.00 ATOM 530 CB GLU 65 -10.232 15.644 0.493 1.00 0.00 ATOM 531 CG GLU 65 -9.416 16.556 -0.413 1.00 0.00 ATOM 532 CD GLU 65 -9.100 17.859 0.267 1.00 0.00 ATOM 533 OE1 GLU 65 -10.009 18.493 0.746 1.00 0.00 ATOM 534 OE2 GLU 65 -7.940 18.166 0.407 1.00 0.00 ATOM 535 O GLU 65 -10.953 15.312 3.784 1.00 0.00 ATOM 536 C GLU 65 -10.578 14.690 2.793 1.00 0.00 ATOM 537 N CYS 66 -10.866 13.408 2.596 1.00 0.00 ATOM 538 CA CYS 66 -11.804 12.687 3.474 1.00 0.00 ATOM 539 CB CYS 66 -12.116 11.283 2.971 1.00 0.00 ATOM 540 SG CYS 66 -13.309 10.475 4.096 1.00 0.00 ATOM 541 O CYS 66 -11.984 12.907 5.882 1.00 0.00 ATOM 542 C CYS 66 -11.277 12.613 4.915 1.00 0.00 ATOM 543 N ARG 67 -10.019 12.200 5.043 1.00 0.00 ATOM 544 CA ARG 67 -9.384 12.097 6.379 1.00 0.00 ATOM 545 CB ARG 67 -8.003 11.463 6.310 1.00 0.00 ATOM 546 CG ARG 67 -8.000 9.956 6.108 1.00 0.00 ATOM 547 CD ARG 67 -6.684 9.310 6.344 1.00 0.00 ATOM 548 NE ARG 67 -6.654 7.883 6.064 1.00 0.00 ATOM 549 CZ ARG 67 -7.097 6.928 6.906 1.00 0.00 ATOM 550 NH1 ARG 67 -7.568 7.237 8.093 1.00 0.00 ATOM 551 NH2 ARG 67 -7.024 5.668 6.515 1.00 0.00 ATOM 552 O ARG 67 -9.693 13.517 8.275 1.00 0.00 ATOM 553 C ARG 67 -9.332 13.451 7.097 1.00 0.00 ATOM 554 N GLU 68 -9.048 14.510 6.333 1.00 0.00 ATOM 555 CA GLU 68 -9.005 15.883 6.870 1.00 0.00 ATOM 556 CB GLU 68 -8.441 16.849 5.826 1.00 0.00 ATOM 557 CG GLU 68 -6.956 16.675 5.546 1.00 0.00 ATOM 558 CD GLU 68 -6.502 17.569 4.425 1.00 0.00 ATOM 559 OE1 GLU 68 -7.330 18.235 3.850 1.00 0.00 ATOM 560 OE2 GLU 68 -5.316 17.671 4.216 1.00 0.00 ATOM 561 O GLU 68 -10.519 16.833 8.462 1.00 0.00 ATOM 562 C GLU 68 -10.389 16.368 7.326 1.00 0.00 ATOM 563 N GLU 69 -11.415 16.053 6.539 1.00 0.00 ATOM 564 CA GLU 69 -12.778 16.484 6.889 1.00 0.00 ATOM 565 CB GLU 69 -13.744 16.192 5.738 1.00 0.00 ATOM 566 CG GLU 69 -13.543 17.068 4.510 1.00 0.00 ATOM 567 CD GLU 69 -14.443 16.644 3.383 1.00 0.00 ATOM 568 OE1 GLU 69 -15.135 15.666 3.536 1.00 0.00 ATOM 569 OE2 GLU 69 -14.525 17.360 2.413 1.00 0.00 ATOM 570 O GLU 69 -13.857 16.407 9.044 1.00 0.00 ATOM 571 C GLU 69 -13.254 15.797 8.169 1.00 0.00 ATOM 572 N LEU 70 -12.902 14.521 8.281 1.00 0.00 ATOM 573 CA LEU 70 -13.263 13.704 9.451 1.00 0.00 ATOM 574 CB LEU 70 -13.173 12.212 9.105 1.00 0.00 ATOM 575 CG LEU 70 -14.167 11.728 8.041 1.00 0.00 ATOM 576 CD1 LEU 70 -13.906 10.265 7.710 1.00 0.00 ATOM 577 CD2 LEU 70 -15.589 11.920 8.549 1.00 0.00 ATOM 578 O LEU 70 -12.730 13.526 11.789 1.00 0.00 ATOM 579 C LEU 70 -12.403 13.976 10.696 1.00 0.00 ATOM 580 N GLY 71 -11.283 14.670 10.506 1.00 0.00 ATOM 581 CA GLY 71 -10.310 14.961 11.572 1.00 0.00 ATOM 582 O GLY 71 -9.092 13.698 13.202 1.00 0.00 ATOM 583 C GLY 71 -9.605 13.701 12.094 1.00 0.00 ATOM 584 N LEU 72 -9.475 12.684 11.256 1.00 0.00 ATOM 585 CA LEU 72 -8.899 11.420 11.714 1.00 0.00 ATOM 586 CB LEU 72 -9.910 10.281 11.534 1.00 0.00 ATOM 587 CG LEU 72 -11.241 10.466 12.275 1.00 0.00 ATOM 588 CD1 LEU 72 -12.205 9.349 11.904 1.00 0.00 ATOM 589 CD2 LEU 72 -10.990 10.486 13.776 1.00 0.00 ATOM 590 O LEU 72 -7.252 11.375 9.942 1.00 0.00 ATOM 591 C LEU 72 -7.599 10.983 11.053 1.00 0.00 ATOM 592 N SER 73 -7.087 9.964 11.728 1.00 0.00 ATOM 593 CA SER 73 -6.242 10.219 12.882 1.00 0.00 ATOM 594 CB SER 73 -6.204 8.918 13.677 1.00 0.00 ATOM 595 OG SER 73 -5.465 7.857 13.059 1.00 0.00 ATOM 596 O SER 73 -4.487 10.300 11.268 1.00 0.00 ATOM 597 C SER 73 -4.886 10.680 12.370 1.00 0.00 ATOM 598 N ASP 74 -4.261 11.540 13.159 1.00 0.00 ATOM 599 CA ASP 74 -2.969 12.138 12.738 1.00 0.00 ATOM 600 CB ASP 74 -2.450 13.102 13.807 1.00 0.00 ATOM 601 CG ASP 74 -3.218 14.414 13.898 1.00 0.00 ATOM 602 OD1 ASP 74 -3.996 14.687 13.013 1.00 0.00 ATOM 603 OD2 ASP 74 -3.142 15.054 14.918 1.00 0.00 ATOM 604 O ASP 74 -1.176 11.238 11.442 1.00 0.00 ATOM 605 C ASP 74 -1.878 11.118 12.439 1.00 0.00 ATOM 606 N ASP 75 -1.917 9.994 13.143 1.00 0.00 ATOM 607 CA ASP 75 -0.930 8.912 12.933 1.00 0.00 ATOM 608 CB ASP 75 -1.099 7.820 13.992 1.00 0.00 ATOM 609 CG ASP 75 -0.617 8.210 15.382 1.00 0.00 ATOM 610 OD1 ASP 75 0.052 9.210 15.498 1.00 0.00 ATOM 611 OD2 ASP 75 -1.047 7.600 16.332 1.00 0.00 ATOM 612 O ASP 75 -0.019 7.918 10.965 1.00 0.00 ATOM 613 C ASP 75 -1.034 8.295 11.547 1.00 0.00 ATOM 614 N ASP 76 -2.252 8.257 11.012 1.00 0.00 ATOM 615 CA ASP 76 -2.479 7.774 9.636 1.00 0.00 ATOM 616 CB ASP 76 -3.977 7.639 9.356 1.00 0.00 ATOM 617 CG ASP 76 -4.644 6.461 10.053 1.00 0.00 ATOM 618 OD1 ASP 76 -3.956 5.527 10.390 1.00 0.00 ATOM 619 OD2 ASP 76 -5.801 6.571 10.385 1.00 0.00 ATOM 620 O ASP 76 -1.228 8.212 7.649 1.00 0.00 ATOM 621 C ASP 76 -1.842 8.692 8.590 1.00 0.00 ATOM 622 N CYS 77 -1.895 10.004 8.846 1.00 0.00 ATOM 623 CA CYS 77 -1.216 11.010 8.007 1.00 0.00 ATOM 624 CB CYS 77 -1.583 12.426 8.459 1.00 0.00 ATOM 625 SG CYS 77 -3.362 12.760 8.199 1.00 0.00 ATOM 626 O CYS 77 0.933 10.767 6.951 1.00 0.00 ATOM 627 C CYS 77 0.303 10.825 8.011 1.00 0.00 ATOM 628 N SER 78 0.857 10.548 9.182 1.00 0.00 ATOM 629 CA SER 78 2.293 10.233 9.290 1.00 0.00 ATOM 630 CB SER 78 2.691 10.105 10.748 1.00 0.00 ATOM 631 OG SER 78 2.586 11.325 11.430 1.00 0.00 ATOM 632 O SER 78 3.644 8.958 7.779 1.00 0.00 ATOM 633 C SER 78 2.675 8.957 8.542 1.00 0.00 ATOM 634 N LYS 79 1.840 7.942 8.716 1.00 0.00 ATOM 635 CA LYS 79 2.022 6.638 8.042 1.00 0.00 ATOM 636 CB LYS 79 0.983 5.630 8.536 1.00 0.00 ATOM 637 CG LYS 79 1.193 5.161 9.970 1.00 0.00 ATOM 638 CD LYS 79 -0.023 4.412 10.492 1.00 0.00 ATOM 639 CE LYS 79 0.220 3.867 11.892 1.00 0.00 ATOM 640 NZ LYS 79 0.316 4.954 12.903 1.00 0.00 ATOM 641 O LYS 79 2.765 6.231 5.780 1.00 0.00 ATOM 642 C LYS 79 1.933 6.776 6.511 1.00 0.00 ATOM 643 N LEU 80 1.051 7.668 6.081 1.00 0.00 ATOM 644 CA LEU 80 0.890 7.984 4.659 1.00 0.00 ATOM 645 CB LEU 80 -0.317 8.907 4.453 1.00 0.00 ATOM 646 CG LEU 80 -1.686 8.218 4.528 1.00 0.00 ATOM 647 CD1 LEU 80 -2.786 9.257 4.695 1.00 0.00 ATOM 648 CD2 LEU 80 -1.910 7.394 3.268 1.00 0.00 ATOM 649 O LEU 80 2.554 8.208 2.955 1.00 0.00 ATOM 650 C LEU 80 2.118 8.631 4.023 1.00 0.00 ATOM 651 N SER 81 2.744 9.560 4.759 1.00 0.00 ATOM 652 CA SER 81 3.983 10.238 4.303 1.00 0.00 ATOM 653 CB SER 81 4.373 11.328 5.283 1.00 0.00 ATOM 654 OG SER 81 3.435 12.368 5.314 1.00 0.00 ATOM 655 O SER 81 5.859 9.307 3.131 1.00 0.00 ATOM 656 C SER 81 5.146 9.257 4.124 1.00 0.00 ATOM 657 N ARG 82 5.234 8.317 5.063 1.00 0.00 ATOM 658 CA ARG 82 6.265 7.259 4.994 1.00 0.00 ATOM 659 CB ARG 82 6.362 6.467 6.290 1.00 0.00 ATOM 660 CG ARG 82 6.989 7.218 7.454 1.00 0.00 ATOM 661 CD ARG 82 7.329 6.365 8.620 1.00 0.00 ATOM 662 NE ARG 82 6.185 5.739 9.263 1.00 0.00 ATOM 663 CZ ARG 82 5.438 6.313 10.225 1.00 0.00 ATOM 664 NH1 ARG 82 5.731 7.509 10.686 1.00 0.00 ATOM 665 NH2 ARG 82 4.415 5.632 10.712 1.00 0.00 ATOM 666 O ARG 82 6.938 6.115 2.986 1.00 0.00 ATOM 667 C ARG 82 6.054 6.332 3.800 1.00 0.00 ATOM 668 N ALA 83 4.816 5.856 3.676 1.00 0.00 ATOM 669 CA ALA 83 4.438 4.948 2.586 1.00 0.00 ATOM 670 CB ALA 83 3.018 4.476 2.887 1.00 0.00 ATOM 671 O ALA 83 4.898 4.937 0.217 1.00 0.00 ATOM 672 C ALA 83 4.547 5.602 1.196 1.00 0.00 ATOM 673 N PHE 84 4.290 6.906 1.126 1.00 0.00 ATOM 674 CA PHE 84 4.335 7.689 -0.122 1.00 0.00 ATOM 675 CB PHE 84 3.927 9.138 0.127 1.00 0.00 ATOM 676 CG PHE 84 3.796 9.889 -1.195 1.00 0.00 ATOM 677 CD1 PHE 84 2.707 9.654 -2.017 1.00 0.00 ATOM 678 CD2 PHE 84 4.761 10.813 -1.571 1.00 0.00 ATOM 679 CE1 PHE 84 2.564 10.338 -3.216 1.00 0.00 ATOM 680 CE2 PHE 84 4.617 11.507 -2.770 1.00 0.00 ATOM 681 CZ PHE 84 3.518 11.271 -3.583 1.00 0.00 ATOM 682 O PHE 84 5.802 7.648 -2.029 1.00 0.00 ATOM 683 C PHE 84 5.713 7.658 -0.801 1.00 0.00 ATOM 684 N ASP 85 6.743 7.499 0.019 1.00 0.00 ATOM 685 CA ASP 85 8.111 7.374 -0.485 1.00 0.00 ATOM 686 CB ASP 85 9.119 7.763 0.599 1.00 0.00 ATOM 687 CG ASP 85 9.161 9.252 0.915 1.00 0.00 ATOM 688 OD1 ASP 85 8.639 10.018 0.140 1.00 0.00 ATOM 689 OD2 ASP 85 9.571 9.598 1.997 1.00 0.00 ATOM 690 O ASP 85 9.536 5.759 -1.567 1.00 0.00 ATOM 691 C ASP 85 8.475 5.986 -0.999 1.00 0.00 ATOM 692 N LEU 86 7.504 5.084 -0.964 1.00 0.00 ATOM 693 CA LEU 86 7.733 3.707 -1.432 1.00 0.00 ATOM 694 CB LEU 86 7.134 2.703 -0.440 1.00 0.00 ATOM 695 CG LEU 86 7.593 2.869 1.014 1.00 0.00 ATOM 696 CD1 LEU 86 6.714 2.036 1.938 1.00 0.00 ATOM 697 CD2 LEU 86 9.051 2.453 1.138 1.00 0.00 ATOM 698 O LEU 86 7.328 2.247 -3.288 1.00 0.00 ATOM 699 C LEU 86 7.189 3.376 -2.815 1.00 0.00 ATOM 700 N ARG 87 6.427 4.299 -3.393 1.00 0.00 ATOM 701 CA ARG 87 5.865 4.069 -4.731 1.00 0.00 ATOM 702 CB ARG 87 4.782 5.079 -5.080 1.00 0.00 ATOM 703 CG ARG 87 4.116 4.862 -6.429 1.00 0.00 ATOM 704 CD ARG 87 3.059 5.852 -6.757 1.00 0.00 ATOM 705 NE ARG 87 3.535 7.217 -6.906 1.00 0.00 ATOM 706 CZ ARG 87 2.749 8.311 -6.877 1.00 0.00 ATOM 707 NH1 ARG 87 1.445 8.203 -6.743 1.00 0.00 ATOM 708 NH2 ARG 87 3.320 9.495 -7.011 1.00 0.00 ATOM 709 O ARG 87 6.857 3.276 -6.787 1.00 0.00 ATOM 710 C ARG 87 6.949 4.031 -5.828 1.00 0.00 ATOM 711 N GLU 88 7.860 4.987 -5.807 1.00 0.00 ATOM 712 CA GLU 88 8.874 5.061 -6.872 1.00 0.00 ATOM 713 CB GLU 88 8.967 6.485 -7.426 1.00 0.00 ATOM 714 CG GLU 88 7.706 6.969 -8.127 1.00 0.00 ATOM 715 CD GLU 88 7.854 8.389 -8.597 1.00 0.00 ATOM 716 OE1 GLU 88 8.913 8.945 -8.425 1.00 0.00 ATOM 717 OE2 GLU 88 6.950 8.883 -9.228 1.00 0.00 ATOM 718 O GLU 88 10.874 3.800 -7.172 1.00 0.00 ATOM 719 C GLU 88 10.282 4.625 -6.468 1.00 0.00 ATOM 720 N GLU 89 10.775 5.118 -5.325 1.00 0.00 ATOM 721 CA GLU 89 12.164 4.855 -4.871 1.00 0.00 ATOM 722 CB GLU 89 12.443 5.580 -3.552 1.00 0.00 ATOM 723 CG GLU 89 12.552 7.093 -3.678 1.00 0.00 ATOM 724 CD GLU 89 12.726 7.742 -2.333 1.00 0.00 ATOM 725 OE1 GLU 89 12.690 7.044 -1.349 1.00 0.00 ATOM 726 OE2 GLU 89 13.006 8.917 -2.295 1.00 0.00 ATOM 727 O GLU 89 13.607 2.944 -5.047 1.00 0.00 ATOM 728 C GLU 89 12.517 3.379 -4.679 1.00 0.00 ATOM 729 N SER 90 11.517 2.604 -4.272 1.00 0.00 ATOM 730 CA SER 90 11.682 1.160 -4.077 1.00 0.00 ATOM 731 CB SER 90 10.432 0.572 -3.453 1.00 0.00 ATOM 732 OG SER 90 9.329 0.645 -4.314 1.00 0.00 ATOM 733 O SER 90 12.255 -0.802 -5.338 1.00 0.00 ATOM 734 C SER 90 12.003 0.403 -5.374 1.00 0.00 ATOM 735 N ASP 91 11.771 1.005 -6.531 1.00 0.00 ATOM 736 CA ASP 91 11.994 0.294 -7.802 1.00 0.00 ATOM 737 CB ASP 91 10.669 0.086 -8.540 1.00 0.00 ATOM 738 CG ASP 91 9.623 -0.689 -7.750 1.00 0.00 ATOM 739 OD1 ASP 91 9.897 -1.806 -7.379 1.00 0.00 ATOM 740 OD2 ASP 91 8.628 -0.109 -7.390 1.00 0.00 ATOM 741 O ASP 91 13.401 0.313 -9.735 1.00 0.00 ATOM 742 C ASP 91 12.964 0.953 -8.787 1.00 0.00 ATOM 743 N TYR 92 13.179 2.253 -8.622 1.00 0.00 ATOM 744 CA TYR 92 14.033 2.997 -9.564 1.00 0.00 ATOM 745 CB TYR 92 13.946 4.501 -9.292 1.00 0.00 ATOM 746 CG TYR 92 14.717 5.349 -10.280 1.00 0.00 ATOM 747 CD1 TYR 92 14.242 5.551 -11.568 1.00 0.00 ATOM 748 CD2 TYR 92 15.915 5.945 -9.921 1.00 0.00 ATOM 749 CE1 TYR 92 14.942 6.323 -12.474 1.00 0.00 ATOM 750 CE2 TYR 92 16.623 6.721 -10.818 1.00 0.00 ATOM 751 CZ TYR 92 16.134 6.908 -12.095 1.00 0.00 ATOM 752 OH TYR 92 16.834 7.679 -12.992 1.00 0.00 ATOM 753 O TYR 92 16.339 3.176 -8.862 1.00 0.00 ATOM 754 C TYR 92 15.505 2.593 -9.540 1.00 0.00 ATOM 755 N GLY 93 15.807 1.650 -10.438 1.00 0.00 ATOM 756 CA GLY 93 17.126 1.004 -10.498 1.00 0.00 ATOM 757 O GLY 93 18.621 -0.132 -9.017 1.00 0.00 ATOM 758 C GLY 93 17.450 0.136 -9.275 1.00 0.00 ATOM 759 N ILE 94 16.385 -0.385 -8.660 1.00 0.00 ATOM 760 CA ILE 94 16.452 -0.994 -7.327 1.00 0.00 ATOM 761 CB ILE 94 15.312 -0.310 -6.523 1.00 0.00 ATOM 762 CG1 ILE 94 15.759 1.104 -6.216 1.00 0.00 ATOM 763 CG2 ILE 94 15.000 -0.649 -5.083 1.00 0.00 ATOM 764 CD1 ILE 94 17.173 1.238 -5.610 1.00 0.00 ATOM 765 O ILE 94 15.823 -3.201 -7.881 1.00 0.00 ATOM 766 C ILE 94 16.514 -2.494 -7.133 1.00 0.00 ATOM 767 N TYR 95 16.825 -2.590 -5.838 1.00 0.00 ATOM 768 CA TYR 95 16.369 -3.445 -4.718 1.00 0.00 ATOM 769 CB TYR 95 16.424 -4.922 -5.116 1.00 0.00 ATOM 770 CG TYR 95 17.815 -5.418 -5.438 1.00 0.00 ATOM 771 CD1 TYR 95 18.629 -5.949 -4.448 1.00 0.00 ATOM 772 CD2 TYR 95 18.310 -5.357 -6.731 1.00 0.00 ATOM 773 CE1 TYR 95 19.901 -6.404 -4.736 1.00 0.00 ATOM 774 CE2 TYR 95 19.581 -5.810 -7.032 1.00 0.00 ATOM 775 CZ TYR 95 20.374 -6.333 -6.031 1.00 0.00 ATOM 776 OH TYR 95 21.639 -6.786 -6.325 1.00 0.00 ATOM 777 O TYR 95 16.526 -3.688 -2.298 1.00 0.00 ATOM 778 C TYR 95 17.077 -3.372 -3.349 1.00 0.00 ATOM 779 N LYS 96 18.342 -2.982 -3.400 1.00 0.00 ATOM 780 CA LYS 96 19.310 -3.045 -2.286 1.00 0.00 ATOM 781 CB LYS 96 20.737 -2.861 -2.805 1.00 0.00 ATOM 782 CG LYS 96 21.045 -1.460 -3.317 1.00 0.00 ATOM 783 CD LYS 96 22.471 -1.362 -3.839 1.00 0.00 ATOM 784 CE LYS 96 22.793 0.050 -4.308 1.00 0.00 ATOM 785 NZ LYS 96 24.191 0.164 -4.806 1.00 0.00 ATOM 786 O LYS 96 19.752 -2.120 -0.104 1.00 0.00 ATOM 787 C LYS 96 19.115 -2.042 -1.148 1.00 0.00 ATOM 788 N GLU 97 18.371 -1.013 -1.500 1.00 0.00 ATOM 789 CA GLU 97 18.135 0.084 -0.558 1.00 0.00 ATOM 790 CB GLU 97 17.882 1.393 -1.311 1.00 0.00 ATOM 791 CG GLU 97 19.064 1.882 -2.135 1.00 0.00 ATOM 792 CD GLU 97 18.736 3.160 -2.856 1.00 0.00 ATOM 793 OE1 GLU 97 17.630 3.628 -2.723 1.00 0.00 ATOM 794 OE2 GLU 97 19.623 3.729 -3.448 1.00 0.00 ATOM 795 O GLU 97 16.610 0.714 1.149 1.00 0.00 ATOM 796 C GLU 97 16.970 -0.171 0.391 1.00 0.00 ATOM 797 N VAL 98 16.503 -1.393 0.536 1.00 0.00 ATOM 798 CA VAL 98 15.443 -1.620 1.537 1.00 0.00 ATOM 799 CB VAL 98 14.089 -1.799 0.854 1.00 0.00 ATOM 800 CG1 VAL 98 14.269 -3.086 0.129 1.00 0.00 ATOM 801 CG2 VAL 98 12.840 -1.961 1.716 1.00 0.00 ATOM 802 O VAL 98 16.343 -3.836 2.000 1.00 0.00 ATOM 803 C VAL 98 15.843 -2.797 2.436 1.00 0.00 ATOM 804 N SER 99 15.336 -2.702 3.638 1.00 0.00 ATOM 805 CA SER 99 15.621 -3.741 4.618 1.00 0.00 ATOM 806 CB SER 99 16.428 -3.118 5.754 1.00 0.00 ATOM 807 OG SER 99 15.635 -2.257 6.571 1.00 0.00 ATOM 808 O SER 99 13.237 -3.949 4.938 1.00 0.00 ATOM 809 C SER 99 14.353 -4.432 5.124 1.00 0.00 ATOM 810 N LYS 100 14.593 -5.478 5.903 1.00 0.00 ATOM 811 CA LYS 100 13.562 -6.231 6.629 1.00 0.00 ATOM 812 CB LYS 100 14.192 -7.392 7.402 1.00 0.00 ATOM 813 CG LYS 100 13.193 -8.259 8.156 1.00 0.00 ATOM 814 CD LYS 100 13.884 -9.431 8.839 1.00 0.00 ATOM 815 CE LYS 100 12.894 -10.273 9.631 1.00 0.00 ATOM 816 NZ LYS 100 13.559 -11.413 10.319 1.00 0.00 ATOM 817 O LYS 100 11.599 -5.294 7.607 1.00 0.00 ATOM 818 C LYS 100 12.815 -5.297 7.564 1.00 0.00 ATOM 819 N ASP 101 13.608 -4.524 8.311 1.00 0.00 ATOM 820 CA ASP 101 13.057 -3.625 9.324 1.00 0.00 ATOM 821 CB ASP 101 14.153 -2.924 10.114 1.00 0.00 ATOM 822 CG ASP 101 14.876 -3.843 11.091 1.00 0.00 ATOM 823 OD1 ASP 101 14.401 -4.968 11.361 1.00 0.00 ATOM 824 OD2 ASP 101 15.912 -3.359 11.580 1.00 0.00 ATOM 825 O ASP 101 11.063 -2.330 9.102 1.00 0.00 ATOM 826 C ASP 101 12.193 -2.559 8.676 1.00 0.00 ATOM 827 N LEU 102 12.712 -2.038 7.575 1.00 0.00 ATOM 828 CA LEU 102 11.976 -1.061 6.775 1.00 0.00 ATOM 829 CB LEU 102 12.847 -0.564 5.614 1.00 0.00 ATOM 830 CG LEU 102 13.913 0.471 5.994 1.00 0.00 ATOM 831 CD1 LEU 102 14.825 0.743 4.805 1.00 0.00 ATOM 832 CD2 LEU 102 13.236 1.752 6.457 1.00 0.00 ATOM 833 O LEU 102 9.601 -1.040 6.412 1.00 0.00 ATOM 834 C LEU 102 10.653 -1.643 6.232 1.00 0.00 ATOM 835 N ALA 103 10.726 -2.855 5.712 1.00 0.00 ATOM 836 CA ALA 103 9.538 -3.528 5.168 1.00 0.00 ATOM 837 CB ALA 103 9.963 -4.741 4.347 1.00 0.00 ATOM 838 O ALA 103 7.316 -3.560 6.034 1.00 0.00 ATOM 839 C ALA 103 8.487 -3.881 6.235 1.00 0.00 ATOM 840 N ILE 104 8.967 -4.260 7.419 1.00 0.00 ATOM 841 CA ILE 104 8.093 -4.530 8.578 1.00 0.00 ATOM 842 CB ILE 104 8.882 -5.137 9.752 1.00 0.00 ATOM 843 CG1 ILE 104 9.377 -6.541 9.393 1.00 0.00 ATOM 844 CG2 ILE 104 8.023 -5.177 11.006 1.00 0.00 ATOM 845 CD1 ILE 104 10.379 -7.104 10.375 1.00 0.00 ATOM 846 O ILE 104 6.188 -3.216 9.219 1.00 0.00 ATOM 847 C ILE 104 7.402 -3.246 9.037 1.00 0.00 ATOM 848 N LYS 105 8.170 -2.166 9.148 1.00 0.00 ATOM 849 CA LYS 105 7.601 -0.876 9.560 1.00 0.00 ATOM 850 CB LYS 105 8.694 0.190 9.643 1.00 0.00 ATOM 851 CG LYS 105 9.668 0.003 10.799 1.00 0.00 ATOM 852 CD LYS 105 10.723 1.099 10.816 1.00 0.00 ATOM 853 CE LYS 105 11.707 0.904 11.959 1.00 0.00 ATOM 854 NZ LYS 105 12.765 1.950 11.969 1.00 0.00 ATOM 855 O LYS 105 5.447 0.056 9.081 1.00 0.00 ATOM 856 C LYS 105 6.493 -0.401 8.613 1.00 0.00 ATOM 857 N ILE 106 6.666 -0.675 7.329 1.00 0.00 ATOM 858 CA ILE 106 5.618 -0.376 6.332 1.00 0.00 ATOM 859 CB ILE 106 6.134 -0.492 4.891 1.00 0.00 ATOM 860 CG1 ILE 106 7.376 0.384 4.705 1.00 0.00 ATOM 861 CG2 ILE 106 5.046 -0.068 3.886 1.00 0.00 ATOM 862 CD1 ILE 106 7.145 1.833 5.180 1.00 0.00 ATOM 863 O ILE 106 3.249 -0.722 6.488 1.00 0.00 ATOM 864 C ILE 106 4.372 -1.232 6.516 1.00 0.00 ATOM 865 N LEU 107 4.626 -2.523 6.655 1.00 0.00 ATOM 866 CA LEU 107 3.552 -3.505 6.831 1.00 0.00 ATOM 867 CB LEU 107 4.143 -4.909 7.011 1.00 0.00 ATOM 868 CG LEU 107 4.782 -5.514 5.755 1.00 0.00 ATOM 869 CD1 LEU 107 5.491 -6.815 6.106 1.00 0.00 ATOM 870 CD2 LEU 107 3.711 -5.751 4.701 1.00 0.00 ATOM 871 O LEU 107 1.432 -3.116 7.861 1.00 0.00 ATOM 872 C LEU 107 2.652 -3.169 8.010 1.00 0.00 ATOM 873 N LYS 108 3.277 -2.859 9.135 1.00 0.00 ATOM 874 CA LYS 108 2.524 -2.568 10.371 1.00 0.00 ATOM 875 CB LYS 108 3.498 -2.293 11.519 1.00 0.00 ATOM 876 CG LYS 108 2.745 -2.070 12.828 1.00 0.00 ATOM 877 CD LYS 108 3.742 -1.873 13.950 1.00 0.00 ATOM 878 CE LYS 108 2.975 -1.624 15.217 1.00 0.00 ATOM 879 NZ LYS 108 3.912 -1.489 16.320 1.00 0.00 ATOM 880 O LYS 108 0.414 -1.416 10.483 1.00 0.00 ATOM 881 C LYS 108 1.599 -1.368 10.156 1.00 0.00 ATOM 882 N ASP 109 2.145 -0.321 9.521 1.00 0.00 ATOM 883 CA ASP 109 1.369 0.901 9.259 1.00 0.00 ATOM 884 CB ASP 109 2.266 1.990 8.665 1.00 0.00 ATOM 885 CG ASP 109 3.346 2.500 9.610 1.00 0.00 ATOM 886 OD1 ASP 109 3.384 2.054 10.732 1.00 0.00 ATOM 887 OD2 ASP 109 4.214 3.208 9.160 1.00 0.00 ATOM 888 O ASP 109 -0.951 1.050 8.652 1.00 0.00 ATOM 889 C ASP 109 0.182 0.664 8.323 1.00 0.00 ATOM 890 N ALA 110 0.436 -0.082 7.245 1.00 0.00 ATOM 891 CA ALA 110 -0.605 -0.470 6.281 1.00 0.00 ATOM 892 CB ALA 110 -0.007 -1.199 5.072 1.00 0.00 ATOM 893 O ALA 110 -2.831 -1.184 6.719 1.00 0.00 ATOM 894 C ALA 110 -1.650 -1.381 6.934 1.00 0.00 ATOM 895 N GLU 111 -1.236 -2.262 7.840 1.00 0.00 ATOM 896 CA GLU 111 -2.175 -3.143 8.565 1.00 0.00 ATOM 897 CB GLU 111 -1.409 -4.166 9.405 1.00 0.00 ATOM 898 CG GLU 111 -2.293 -5.160 10.146 1.00 0.00 ATOM 899 CD GLU 111 -1.471 -6.162 10.907 1.00 0.00 ATOM 900 OE1 GLU 111 -0.267 -6.084 10.845 1.00 0.00 ATOM 901 OE2 GLU 111 -2.041 -6.936 11.640 1.00 0.00 ATOM 902 O GLU 111 -4.326 -2.536 9.404 1.00 0.00 ATOM 903 C GLU 111 -3.112 -2.342 9.451 1.00 0.00 ATOM 904 N ILE 112 -2.544 -1.364 10.152 1.00 0.00 ATOM 905 CA ILE 112 -3.349 -0.434 10.975 1.00 0.00 ATOM 906 CB ILE 112 -2.460 0.592 11.700 1.00 0.00 ATOM 907 CG1 ILE 112 -1.601 -0.102 12.762 1.00 0.00 ATOM 908 CG2 ILE 112 -3.312 1.683 12.331 1.00 0.00 ATOM 909 CD1 ILE 112 -0.512 0.775 13.335 1.00 0.00 ATOM 910 O ILE 112 -5.561 0.312 10.402 1.00 0.00 ATOM 911 C ILE 112 -4.366 0.292 10.088 1.00 0.00 ATOM 912 N PHE 113 -3.883 0.784 8.947 1.00 0.00 ATOM 913 CA PHE 113 -4.663 1.446 7.881 1.00 0.00 ATOM 914 CB PHE 113 -3.721 1.675 6.696 1.00 0.00 ATOM 915 CG PHE 113 -4.194 2.691 5.662 1.00 0.00 ATOM 916 CD1 PHE 113 -3.657 3.941 5.828 1.00 0.00 ATOM 917 CD2 PHE 113 -5.040 2.430 4.587 1.00 0.00 ATOM 918 CE1 PHE 113 -3.931 4.955 4.930 1.00 0.00 ATOM 919 CE2 PHE 113 -5.315 3.455 3.689 1.00 0.00 ATOM 920 CZ PHE 113 -4.760 4.717 3.855 1.00 0.00 ATOM 921 O PHE 113 -6.975 0.901 7.357 1.00 0.00 ATOM 922 C PHE 113 -5.794 0.541 7.360 1.00 0.00 ATOM 923 N VAL 114 -5.376 -0.615 6.876 1.00 0.00 ATOM 924 CA VAL 114 -6.231 -1.569 6.145 1.00 0.00 ATOM 925 CB VAL 114 -5.413 -2.749 5.588 1.00 0.00 ATOM 926 CG1 VAL 114 -6.337 -3.867 5.129 1.00 0.00 ATOM 927 CG2 VAL 114 -4.524 -2.289 4.444 1.00 0.00 ATOM 928 O VAL 114 -8.495 -2.120 6.715 1.00 0.00 ATOM 929 C VAL 114 -7.325 -2.078 7.089 1.00 0.00 ATOM 930 N GLN 115 -6.926 -2.406 8.308 1.00 0.00 ATOM 931 CA GLN 115 -7.880 -2.973 9.268 1.00 0.00 ATOM 932 CB GLN 115 -7.151 -3.462 10.522 1.00 0.00 ATOM 933 CG GLN 115 -8.047 -4.165 11.529 1.00 0.00 ATOM 934 CD GLN 115 -8.655 -5.438 10.971 1.00 0.00 ATOM 935 OE1 GLN 115 -7.966 -6.252 10.349 1.00 0.00 ATOM 936 NE2 GLN 115 -9.954 -5.616 11.187 1.00 0.00 ATOM 937 O GLN 115 -10.149 -2.312 9.570 1.00 0.00 ATOM 938 C GLN 115 -8.968 -1.987 9.689 1.00 0.00 ATOM 939 N LYS 116 -8.573 -0.746 9.932 1.00 0.00 ATOM 940 CA LYS 116 -9.550 0.322 10.253 1.00 0.00 ATOM 941 CB LYS 116 -8.827 1.626 10.593 1.00 0.00 ATOM 942 CG LYS 116 -8.084 1.604 11.923 1.00 0.00 ATOM 943 CD LYS 116 -7.393 2.932 12.193 1.00 0.00 ATOM 944 CE LYS 116 -6.630 2.903 13.510 1.00 0.00 ATOM 945 NZ LYS 116 -5.923 4.185 13.772 1.00 0.00 ATOM 946 O LYS 116 -11.730 0.719 9.317 1.00 0.00 ATOM 947 C LYS 116 -10.524 0.554 9.101 1.00 0.00 ATOM 948 N ALA 117 -9.983 0.505 7.887 1.00 0.00 ATOM 949 CA ALA 117 -10.792 0.667 6.663 1.00 0.00 ATOM 950 CB ALA 117 -9.845 0.744 5.466 1.00 0.00 ATOM 951 O ALA 117 -12.995 -0.205 6.329 1.00 0.00 ATOM 952 C ALA 117 -11.813 -0.465 6.517 1.00 0.00 ATOM 953 N LYS 118 -11.379 -1.701 6.779 1.00 0.00 ATOM 954 CA LYS 118 -12.254 -2.876 6.719 1.00 0.00 ATOM 955 CB LYS 118 -11.439 -4.160 6.879 1.00 0.00 ATOM 956 CG LYS 118 -12.276 -5.427 6.991 1.00 0.00 ATOM 957 CD LYS 118 -11.396 -6.667 7.056 1.00 0.00 ATOM 958 CE LYS 118 -12.232 -7.934 7.170 1.00 0.00 ATOM 959 NZ LYS 118 -11.385 -9.155 7.236 1.00 0.00 ATOM 960 O LYS 118 -14.508 -3.141 7.496 1.00 0.00 ATOM 961 C LYS 118 -13.359 -2.832 7.786 1.00 0.00 ATOM 962 N ASN 119 -13.019 -2.262 8.931 1.00 0.00 ATOM 963 CA ASN 119 -13.971 -2.101 10.046 1.00 0.00 ATOM 964 CB ASN 119 -13.266 -1.670 11.320 1.00 0.00 ATOM 965 CG ASN 119 -12.453 -2.762 11.960 1.00 0.00 ATOM 966 ND2 ASN 119 -11.575 -2.365 12.845 1.00 0.00 ATOM 967 OD1 ASN 119 -12.670 -3.953 11.710 1.00 0.00 ATOM 968 O ASN 119 -16.265 -1.422 9.985 1.00 0.00 ATOM 969 C ASN 119 -15.093 -1.118 9.745 1.00 0.00 ATOM 970 N ALA 120 -14.727 0.036 9.180 1.00 0.00 ATOM 971 CA ALA 120 -15.718 1.042 8.732 1.00 0.00 ATOM 972 CB ALA 120 -15.037 2.308 8.211 1.00 0.00 ATOM 973 O ALA 120 -17.850 0.565 7.810 1.00 0.00 ATOM 974 C ALA 120 -16.640 0.494 7.639 1.00 0.00 ATOM 975 N VAL 121 -16.021 -0.277 6.743 1.00 0.00 ATOM 976 CA VAL 121 -16.769 -0.899 5.648 1.00 0.00 ATOM 977 CB VAL 121 -15.777 -1.523 4.676 1.00 0.00 ATOM 978 CG1 VAL 121 -16.509 -2.526 3.801 1.00 0.00 ATOM 979 CG2 VAL 121 -15.149 -0.445 3.812 1.00 0.00 ATOM 980 O VAL 121 -18.931 -1.966 5.735 1.00 0.00 ATOM 981 C VAL 121 -17.787 -1.893 6.186 1.00 0.00 ATOM 982 N ASN 122 -17.228 -2.786 6.997 1.00 0.00 ATOM 983 CA ASN 122 -18.023 -3.853 7.605 1.00 0.00 ATOM 984 CB ASN 122 -17.177 -4.730 8.510 1.00 0.00 ATOM 985 CG ASN 122 -16.246 -5.646 7.765 1.00 0.00 ATOM 986 ND2 ASN 122 -15.302 -6.199 8.485 1.00 0.00 ATOM 987 OD1 ASN 122 -16.423 -5.906 6.570 1.00 0.00 ATOM 988 O ASN 122 -20.289 -3.717 8.322 1.00 0.00 ATOM 989 C ASN 122 -19.186 -3.206 8.361 1.00 0.00 ATOM 990 N LYS 123 -19.025 -1.999 8.859 1.00 0.00 ATOM 991 CA LYS 123 -20.163 -1.373 9.526 1.00 0.00 ATOM 992 CB LYS 123 -19.700 -0.607 10.766 1.00 0.00 ATOM 993 CG LYS 123 -19.235 -1.492 11.915 1.00 0.00 ATOM 994 CD LYS 123 -18.763 -0.660 13.098 1.00 0.00 ATOM 995 CE LYS 123 -18.249 -1.542 14.227 1.00 0.00 ATOM 996 NZ LYS 123 -17.731 -0.740 15.369 1.00 0.00 ATOM 997 O LYS 123 -21.595 0.559 9.120 1.00 0.00 ATOM 998 C LYS 123 -20.986 -0.404 8.644 1.00 0.00 ATOM 999 N ASN 124 -21.074 -0.819 7.369 1.00 0.00 ATOM 1000 CA ASN 124 -21.982 -0.309 6.316 1.00 0.00 ATOM 1001 CB ASN 124 -23.420 -0.256 6.800 1.00 0.00 ATOM 1002 CG ASN 124 -24.034 -1.611 7.020 1.00 0.00 ATOM 1003 ND2 ASN 124 -25.032 -1.648 7.866 1.00 0.00 ATOM 1004 OD1 ASN 124 -23.659 -2.597 6.375 1.00 0.00 ATOM 1005 O ASN 124 -22.536 1.688 5.082 1.00 0.00 ATOM 1006 C ASN 124 -21.672 1.067 5.718 1.00 0.00 ATOM 1007 N ARG 125 -20.417 1.443 5.818 1.00 0.00 ATOM 1008 CA ARG 125 -19.952 2.680 5.182 1.00 0.00 ATOM 1009 CB ARG 125 -20.282 3.912 6.011 1.00 0.00 ATOM 1010 CG ARG 125 -19.649 3.940 7.394 1.00 0.00 ATOM 1011 CD ARG 125 -20.158 5.019 8.279 1.00 0.00 ATOM 1012 NE ARG 125 -19.453 5.143 9.545 1.00 0.00 ATOM 1013 CZ ARG 125 -19.750 4.443 10.657 1.00 0.00 ATOM 1014 NH1 ARG 125 -20.758 3.599 10.678 1.00 0.00 ATOM 1015 NH2 ARG 125 -19.016 4.646 11.737 1.00 0.00 ATOM 1016 O ARG 125 -17.842 1.568 5.268 1.00 0.00 ATOM 1017 C ARG 125 -18.448 2.567 4.872 1.00 0.00 TER END