PFRMAT TS TARGET TR288 AUTHOR 5370-1100-4902 METHOD The supplied conformation was superimposed on our previous complete METHOD models, and the missing residues were grafted on. Residues 1-5 were METHOD taken from T0288.try2-opt2.repack-nonPC.pdb and 87-end from the first METHOD undertaker-align model (an alignment with 1g9oA). METHOD METHOD The resulting chimera was optimized with undertaker to produce METHOD try6-opt2 (Model 5). METHOD METHOD The model was further optimized by undertaker for try7-opt2 (Model 3) METHOD which also had th sidechains repacked by rosetta (Model 4). This METHOD optimization included alignment insertion, which is almost the same as METHOD starting over with a different initial model, which is not in the METHOD spirit of the refinement experiment. However, try8-opt2 came from an METHOD optimization run with the same starting points and cost function, but METHOD with alignment insertion turned off. It arrived at a very similar METHOD model to try7-opt2. METHOD METHOD try9-opt2 is the optimization of try8-opt2 with break and clash costs METHOD turned up high. It is probably about as good as we can get with the METHOD crude cost functions of undertaker. It is submitted as model 1, METHOD and the same backboen with sidechains repacked by rosetta is submitted METHOD as model 2. 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 TR288 model 5 Thu Jun 15 22:01:39 2006 MODEL 5 PARENT 2fne_A 1xz9_A 1t2m_A 1wfv_A 1x6d_A 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 7.728 -1.362 88.963 1.00 0.00 ATOM 2 CA SER 1 9.178 -1.559 89.214 1.00 0.00 ATOM 3 CB SER 1 9.939 -1.583 87.891 1.00 0.00 ATOM 4 OG SER 1 9.897 -0.304 87.282 1.00 0.00 ATOM 5 O SER 1 9.033 0.556 90.358 1.00 0.00 ATOM 6 C SER 1 9.679 -0.494 90.184 1.00 0.00 ATOM 7 N MET 2 10.784 -0.808 90.856 1.00 0.00 ATOM 8 CA MET 2 11.359 0.100 91.834 1.00 0.00 ATOM 9 CB MET 2 11.959 -0.661 93.022 1.00 0.00 ATOM 10 CG MET 2 10.967 -1.495 93.823 1.00 0.00 ATOM 11 SD MET 2 9.822 -0.503 94.804 1.00 0.00 ATOM 12 CE MET 2 10.782 -0.226 96.253 1.00 0.00 ATOM 13 O MET 2 13.318 0.122 90.457 1.00 0.00 ATOM 14 C MET 2 12.656 0.707 91.312 1.00 0.00 ATOM 15 N VAL 3 12.941 1.923 91.784 1.00 0.00 ATOM 16 CA VAL 3 14.162 2.591 91.344 1.00 0.00 ATOM 17 CB VAL 3 13.808 3.484 90.142 1.00 0.00 ATOM 18 CG1 VAL 3 12.805 4.552 90.548 1.00 0.00 ATOM 19 CG2 VAL 3 15.054 4.175 89.607 1.00 0.00 ATOM 20 O VAL 3 14.012 4.344 92.972 1.00 0.00 ATOM 21 C VAL 3 14.744 3.575 92.342 1.00 0.00 ATOM 22 N PRO 4 16.095 3.502 92.474 1.00 0.00 ATOM 23 CA PRO 4 16.779 4.397 93.406 1.00 0.00 ATOM 24 CB PRO 4 18.118 3.730 93.577 1.00 0.00 ATOM 25 CG PRO 4 18.254 2.704 92.515 1.00 0.00 ATOM 26 CD PRO 4 16.860 2.182 92.339 1.00 0.00 ATOM 27 O PRO 4 17.233 5.507 91.328 1.00 0.00 ATOM 28 C PRO 4 17.013 5.622 92.530 1.00 0.00 ATOM 29 N GLY 5 16.951 6.798 93.095 1.00 0.00 ATOM 30 CA GLY 5 17.285 8.008 92.366 1.00 0.00 ATOM 31 O GLY 5 17.522 8.844 94.560 1.00 0.00 ATOM 32 C GLY 5 17.654 9.077 93.365 1.00 0.00 ATOM 33 N LYS 6 18.124 10.215 92.901 1.00 0.00 ATOM 34 CA LYS 6 18.544 11.305 93.767 1.00 0.00 ATOM 35 CB LYS 6 20.015 11.635 93.526 1.00 0.00 ATOM 36 CG LYS 6 20.327 12.224 92.170 1.00 0.00 ATOM 37 CD LYS 6 21.862 12.377 91.946 1.00 0.00 ATOM 38 CE LYS 6 22.203 12.180 90.485 1.00 0.00 ATOM 39 NZ LYS 6 23.650 12.362 90.188 1.00 0.00 ATOM 40 O LYS 6 17.430 12.997 92.503 1.00 0.00 ATOM 41 C LYS 6 17.687 12.544 93.615 1.00 0.00 ATOM 42 N VAL 7 17.255 13.094 94.743 1.00 0.00 ATOM 43 CA VAL 7 16.444 14.302 94.728 1.00 0.00 ATOM 44 CB VAL 7 14.933 13.891 94.829 1.00 0.00 ATOM 45 CG1 VAL 7 14.668 13.315 96.203 1.00 0.00 ATOM 46 CG2 VAL 7 14.034 15.085 94.571 1.00 0.00 ATOM 47 O VAL 7 17.124 15.047 96.896 1.00 0.00 ATOM 48 C VAL 7 16.979 15.328 95.712 1.00 0.00 ATOM 49 N THR 8 17.238 16.535 95.223 1.00 0.00 ATOM 50 CA THR 8 17.772 17.583 96.076 1.00 0.00 ATOM 51 CB THR 8 18.946 18.310 95.395 1.00 0.00 ATOM 52 CG2 THR 8 19.486 19.410 96.296 1.00 0.00 ATOM 53 OG1 THR 8 19.997 17.377 95.120 1.00 0.00 ATOM 54 O THR 8 16.002 19.072 95.448 1.00 0.00 ATOM 55 C THR 8 16.654 18.576 96.365 1.00 0.00 ATOM 56 N LEU 9 16.444 18.861 97.646 1.00 0.00 ATOM 57 CA LEU 9 15.428 19.815 98.056 1.00 0.00 ATOM 58 CB LEU 9 14.487 19.198 99.092 1.00 0.00 ATOM 59 CG LEU 9 13.707 17.959 98.646 1.00 0.00 ATOM 60 CD1 LEU 9 12.882 17.400 99.795 1.00 0.00 ATOM 61 CD2 LEU 9 12.762 18.302 97.504 1.00 0.00 ATOM 62 O LEU 9 16.934 20.834 99.564 1.00 0.00 ATOM 63 C LEU 9 16.075 21.045 98.689 1.00 0.00 ATOM 64 N GLN 10 15.732 22.190 98.246 1.00 0.00 ATOM 65 CA GLN 10 16.205 23.449 98.840 1.00 0.00 ATOM 66 CB GLN 10 16.777 24.274 97.685 1.00 0.00 ATOM 67 CG GLN 10 17.413 25.587 98.114 1.00 0.00 ATOM 68 CD GLN 10 17.995 26.361 96.947 1.00 0.00 ATOM 69 OE1 GLN 10 17.774 26.013 95.788 1.00 0.00 ATOM 70 NE2 GLN 10 18.740 27.416 97.253 1.00 0.00 ATOM 71 O GLN 10 14.054 24.493 98.837 1.00 0.00 ATOM 72 C GLN 10 15.034 24.163 99.504 1.00 0.00 ATOM 73 N LYS 11 15.110 24.378 100.815 1.00 0.00 ATOM 74 CA LYS 11 14.008 25.038 101.502 1.00 0.00 ATOM 75 CB LYS 11 13.878 24.512 102.933 1.00 0.00 ATOM 76 CG LYS 11 15.066 24.839 103.825 1.00 0.00 ATOM 77 CD LYS 11 14.878 24.272 105.223 1.00 0.00 ATOM 78 CE LYS 11 16.090 24.547 106.098 1.00 0.00 ATOM 79 NZ LYS 11 15.924 23.991 107.469 1.00 0.00 ATOM 80 O LYS 11 13.603 27.170 102.501 1.00 0.00 ATOM 81 C LYS 11 14.180 26.544 101.616 1.00 0.00 ATOM 82 N ASP 12 15.046 27.108 100.780 1.00 0.00 ATOM 83 CA ASP 12 15.255 28.552 100.793 1.00 0.00 ATOM 84 CB ASP 12 16.176 28.902 99.633 1.00 0.00 ATOM 85 CG ASP 12 16.429 30.392 99.465 1.00 0.00 ATOM 86 OD1 ASP 12 15.667 31.204 100.030 1.00 0.00 ATOM 87 OD2 ASP 12 17.351 30.788 98.724 1.00 0.00 ATOM 88 O ASP 12 13.156 28.889 99.677 1.00 0.00 ATOM 89 C ASP 12 13.892 29.211 100.612 1.00 0.00 ATOM 90 N ALA 13 13.560 30.129 101.513 1.00 0.00 ATOM 91 CA ALA 13 12.290 30.830 101.430 1.00 0.00 ATOM 92 CB ALA 13 12.139 31.357 99.991 1.00 0.00 ATOM 93 O ALA 13 9.947 30.547 101.816 1.00 0.00 ATOM 94 C ALA 13 11.079 30.062 101.919 1.00 0.00 ATOM 95 N GLN 14 11.318 28.897 102.515 1.00 0.00 ATOM 96 CA GLN 14 10.241 28.051 103.031 1.00 0.00 ATOM 97 CB GLN 14 10.097 26.796 102.179 1.00 0.00 ATOM 98 CG GLN 14 9.507 27.130 100.824 1.00 0.00 ATOM 99 CD GLN 14 8.050 27.465 100.908 1.00 0.00 ATOM 100 OE1 GLN 14 7.303 26.764 101.580 1.00 0.00 ATOM 101 NE2 GLN 14 7.636 28.547 100.253 1.00 0.00 ATOM 102 O GLN 14 11.635 27.140 104.748 1.00 0.00 ATOM 103 C GLN 14 10.516 27.469 104.387 1.00 0.00 ATOM 104 N ASN 15 9.416 27.306 105.258 1.00 0.00 ATOM 105 CA ASN 15 9.665 27.010 106.659 1.00 0.00 ATOM 106 CB ASN 15 8.296 26.930 107.338 1.00 0.00 ATOM 107 CG ASN 15 7.683 28.295 107.576 1.00 0.00 ATOM 108 ND2 ASN 15 6.366 28.328 107.750 1.00 0.00 ATOM 109 OD1 ASN 15 8.385 29.305 107.604 1.00 0.00 ATOM 110 O ASN 15 11.217 25.548 107.774 1.00 0.00 ATOM 111 C ASN 15 10.394 25.685 106.866 1.00 0.00 ATOM 112 N LEU 16 10.111 24.715 106.013 1.00 0.00 ATOM 113 CA LEU 16 10.748 23.412 106.142 1.00 0.00 ATOM 114 CB LEU 16 9.925 22.576 107.124 1.00 0.00 ATOM 115 CG LEU 16 8.574 22.069 106.615 1.00 0.00 ATOM 116 CD1 LEU 16 8.027 20.985 107.532 1.00 0.00 ATOM 117 CD2 LEU 16 7.561 23.202 106.562 1.00 0.00 ATOM 118 O LEU 16 10.210 23.238 103.827 1.00 0.00 ATOM 119 C LEU 16 10.750 22.716 104.800 1.00 0.00 ATOM 120 N ILE 17 11.346 21.530 104.743 1.00 0.00 ATOM 121 CA ILE 17 11.392 20.803 103.487 1.00 0.00 ATOM 122 CB ILE 17 12.294 19.594 103.461 1.00 0.00 ATOM 123 CG1 ILE 17 11.994 18.583 104.553 1.00 0.00 ATOM 124 CG2 ILE 17 13.730 20.071 103.529 1.00 0.00 ATOM 125 CD1 ILE 17 12.759 17.269 104.423 1.00 0.00 ATOM 126 O ILE 17 9.639 20.341 101.920 1.00 0.00 ATOM 127 C ILE 17 9.993 20.335 103.099 1.00 0.00 ATOM 128 N GLY 18 9.209 19.937 104.098 1.00 0.00 ATOM 129 CA GLY 18 7.836 19.527 103.846 1.00 0.00 ATOM 130 O GLY 18 6.619 17.546 103.272 1.00 0.00 ATOM 131 C GLY 18 7.610 18.025 103.836 1.00 0.00 ATOM 132 N ILE 19 8.477 17.253 104.448 1.00 0.00 ATOM 133 CA ILE 19 8.250 15.819 104.475 1.00 0.00 ATOM 134 CB ILE 19 9.472 15.079 103.899 1.00 0.00 ATOM 135 CG1 ILE 19 9.710 15.495 102.445 1.00 0.00 ATOM 136 CG2 ILE 19 9.253 13.576 103.940 1.00 0.00 ATOM 137 CD1 ILE 19 11.029 15.014 101.881 1.00 0.00 ATOM 138 O ILE 19 8.684 15.704 106.827 1.00 0.00 ATOM 139 C ILE 19 8.031 15.279 105.873 1.00 0.00 ATOM 140 N SER 20 7.083 14.357 105.991 1.00 0.00 ATOM 141 CA SER 20 6.811 13.710 107.261 1.00 0.00 ATOM 142 CB SER 20 5.342 13.900 107.647 1.00 0.00 ATOM 143 OG SER 20 5.044 13.232 108.862 1.00 0.00 ATOM 144 O SER 20 6.779 11.708 105.964 1.00 0.00 ATOM 145 C SER 20 7.183 12.265 106.980 1.00 0.00 ATOM 146 N ILE 21 7.869 11.637 107.916 1.00 0.00 ATOM 147 CA ILE 21 8.330 10.275 107.712 1.00 0.00 ATOM 148 CB ILE 21 9.867 10.190 107.649 1.00 0.00 ATOM 149 CG1 ILE 21 10.484 10.695 108.954 1.00 0.00 ATOM 150 CG2 ILE 21 10.399 11.038 106.504 1.00 0.00 ATOM 151 CD1 ILE 21 11.975 10.458 109.056 1.00 0.00 ATOM 152 O ILE 21 7.488 9.690 109.881 1.00 0.00 ATOM 153 C ILE 21 7.918 9.299 108.796 1.00 0.00 ATOM 154 N GLY 22 8.018 8.017 108.469 1.00 0.00 ATOM 155 CA GLY 22 7.689 6.962 109.419 1.00 0.00 ATOM 156 O GLY 22 8.857 5.461 107.963 1.00 0.00 ATOM 157 C GLY 22 8.484 5.706 109.109 1.00 0.00 ATOM 158 N GLY 23 8.757 4.926 110.147 1.00 0.00 ATOM 159 CA GLY 23 9.448 3.661 109.975 1.00 0.00 ATOM 160 O GLY 23 7.218 2.841 109.771 1.00 0.00 ATOM 161 C GLY 23 8.384 2.754 109.384 1.00 0.00 ATOM 162 N GLY 24 8.751 1.960 108.389 1.00 0.00 ATOM 163 CA GLY 24 7.772 1.076 107.789 1.00 0.00 ATOM 164 O GLY 24 9.610 -0.372 107.341 1.00 0.00 ATOM 165 C GLY 24 8.402 -0.180 107.239 1.00 0.00 ATOM 166 N ALA 25 7.584 -1.019 106.615 1.00 0.00 ATOM 167 CA ALA 25 8.079 -2.256 106.030 1.00 0.00 ATOM 168 CB ALA 25 8.035 -3.375 107.096 1.00 0.00 ATOM 169 O ALA 25 6.293 -2.859 104.599 1.00 0.00 ATOM 170 C ALA 25 7.487 -2.948 104.837 1.00 0.00 ATOM 171 N GLN 26 8.315 -3.705 104.137 1.00 0.00 ATOM 172 CA GLN 26 7.826 -4.449 102.983 1.00 0.00 ATOM 173 CB GLN 26 8.615 -4.219 101.809 1.00 0.00 ATOM 174 CG GLN 26 7.762 -3.285 100.912 1.00 0.00 ATOM 175 CD GLN 26 6.803 -4.070 100.074 1.00 0.00 ATOM 176 OE1 GLN 26 7.212 -4.745 99.118 1.00 0.00 ATOM 177 NE2 GLN 26 5.535 -3.989 100.332 1.00 0.00 ATOM 178 O GLN 26 9.303 -4.967 104.843 1.00 0.00 ATOM 179 C GLN 26 8.773 -5.343 103.793 1.00 0.00 ATOM 180 N TYR 27 9.018 -6.619 103.277 1.00 0.00 ATOM 181 CA TYR 27 9.904 -7.595 103.912 1.00 0.00 ATOM 182 CB TYR 27 9.761 -8.848 102.748 1.00 0.00 ATOM 183 CG TYR 27 10.885 -8.552 101.776 1.00 0.00 ATOM 184 CD1 TYR 27 12.135 -9.157 101.920 1.00 0.00 ATOM 185 CD2 TYR 27 10.724 -7.609 100.761 1.00 0.00 ATOM 186 CE1 TYR 27 13.197 -8.825 101.081 1.00 0.00 ATOM 187 CE2 TYR 27 11.785 -7.268 99.915 1.00 0.00 ATOM 188 CZ TYR 27 13.016 -7.878 100.085 1.00 0.00 ATOM 189 OH TYR 27 14.069 -7.526 99.273 1.00 0.00 ATOM 190 O TYR 27 12.126 -7.201 104.721 1.00 0.00 ATOM 191 C TYR 27 11.123 -6.732 104.177 1.00 0.00 ATOM 192 N CYS 28 11.027 -5.468 103.783 1.00 0.00 ATOM 193 CA CYS 28 12.105 -4.518 103.993 1.00 0.00 ATOM 194 CB CYS 28 12.661 -4.033 102.637 1.00 0.00 ATOM 195 SG CYS 28 13.951 -2.794 102.821 1.00 0.00 ATOM 196 O CYS 28 11.128 -2.331 104.091 1.00 0.00 ATOM 197 C CYS 28 11.756 -3.212 104.684 1.00 0.00 ATOM 198 N PRO 29 12.222 -3.031 105.883 1.00 0.00 ATOM 199 CA PRO 29 11.943 -1.810 106.643 1.00 0.00 ATOM 200 CB PRO 29 12.176 -2.238 108.099 1.00 0.00 ATOM 201 CG PRO 29 13.312 -3.231 107.996 1.00 0.00 ATOM 202 CD PRO 29 13.121 -3.919 106.667 1.00 0.00 ATOM 203 O PRO 29 14.018 -0.723 106.164 1.00 0.00 ATOM 204 C PRO 29 12.803 -0.594 106.325 1.00 0.00 ATOM 205 N CYS 30 12.154 0.596 106.570 1.00 0.00 ATOM 206 CA CYS 30 12.872 1.823 106.249 1.00 0.00 ATOM 207 CB CYS 30 12.788 2.000 104.735 1.00 0.00 ATOM 208 SG CYS 30 13.951 3.142 104.007 1.00 0.00 ATOM 209 O CYS 30 11.105 3.005 107.356 1.00 0.00 ATOM 210 C CYS 30 12.167 3.077 106.725 1.00 0.00 ATOM 211 N LEU 31 12.710 4.236 106.117 1.00 0.00 ATOM 212 CA LEU 31 12.100 5.517 106.436 1.00 0.00 ATOM 213 CB LEU 31 13.159 6.607 106.723 1.00 0.00 ATOM 214 CG LEU 31 13.951 6.402 108.008 1.00 0.00 ATOM 215 CD1 LEU 31 15.107 7.383 108.096 1.00 0.00 ATOM 216 CD2 LEU 31 13.104 6.492 109.288 1.00 0.00 ATOM 217 O LEU 31 11.858 5.835 104.070 1.00 0.00 ATOM 218 C LEU 31 11.309 5.836 105.173 1.00 0.00 ATOM 219 N TYR 32 10.032 6.080 105.394 1.00 0.00 ATOM 220 CA TYR 32 9.146 6.395 104.281 1.00 0.00 ATOM 221 CB TYR 32 7.985 5.403 104.185 1.00 0.00 ATOM 222 CG TYR 32 8.413 3.987 103.871 1.00 0.00 ATOM 223 CD1 TYR 32 8.701 3.089 104.890 1.00 0.00 ATOM 224 CD2 TYR 32 8.527 3.554 102.556 1.00 0.00 ATOM 225 CE1 TYR 32 9.094 1.792 104.612 1.00 0.00 ATOM 226 CE2 TYR 32 8.918 2.263 102.259 1.00 0.00 ATOM 227 CZ TYR 32 9.202 1.380 103.302 1.00 0.00 ATOM 228 OH TYR 32 9.591 0.091 103.022 1.00 0.00 ATOM 229 O TYR 32 8.298 8.250 105.527 1.00 0.00 ATOM 230 C TYR 32 8.532 7.775 104.422 1.00 0.00 ATOM 231 N ILE 33 8.271 8.414 103.287 1.00 0.00 ATOM 232 CA ILE 33 7.627 9.717 103.295 1.00 0.00 ATOM 233 CB ILE 33 7.812 10.445 101.950 1.00 0.00 ATOM 234 CG1 ILE 33 9.297 10.692 101.678 1.00 0.00 ATOM 235 CG2 ILE 33 7.094 11.786 101.966 1.00 0.00 ATOM 236 CD1 ILE 33 9.586 11.191 100.279 1.00 0.00 ATOM 237 O ILE 33 5.499 8.742 102.765 1.00 0.00 ATOM 238 C ILE 33 6.149 9.434 103.553 1.00 0.00 ATOM 239 N VAL 34 5.627 9.943 104.661 1.00 0.00 ATOM 240 CA VAL 34 4.226 9.714 105.015 1.00 0.00 ATOM 241 CB VAL 34 4.022 9.409 106.477 1.00 0.00 ATOM 242 CG1 VAL 34 4.671 8.070 106.791 1.00 0.00 ATOM 243 CG2 VAL 34 4.595 10.523 107.341 1.00 0.00 ATOM 244 O VAL 34 2.130 10.739 104.483 1.00 0.00 ATOM 245 C VAL 34 3.338 10.890 104.648 1.00 0.00 ATOM 246 N GLN 35 3.939 12.069 104.535 1.00 0.00 ATOM 247 CA GLN 35 3.168 13.247 104.194 1.00 0.00 ATOM 248 CB GLN 35 2.503 13.831 105.442 1.00 0.00 ATOM 249 CG GLN 35 1.595 15.019 105.165 1.00 0.00 ATOM 250 CD GLN 35 0.873 15.503 106.406 1.00 0.00 ATOM 251 OE1 GLN 35 -0.037 14.841 106.904 1.00 0.00 ATOM 252 NE2 GLN 35 1.278 16.663 106.910 1.00 0.00 ATOM 253 O GLN 35 5.239 14.366 103.839 1.00 0.00 ATOM 254 C GLN 35 4.035 14.329 103.592 1.00 0.00 ATOM 255 N VAL 36 3.422 15.191 102.789 1.00 0.00 ATOM 256 CA VAL 36 4.124 16.305 102.156 1.00 0.00 ATOM 257 CB VAL 36 4.266 16.085 100.638 1.00 0.00 ATOM 258 CG1 VAL 36 4.969 17.269 99.993 1.00 0.00 ATOM 259 CG2 VAL 36 5.077 14.831 100.355 1.00 0.00 ATOM 260 O VAL 36 2.128 17.634 102.157 1.00 0.00 ATOM 261 C VAL 36 3.329 17.586 102.400 1.00 0.00 ATOM 262 N PHE 37 4.010 18.620 102.878 1.00 0.00 ATOM 263 CA PHE 37 3.361 19.897 103.163 1.00 0.00 ATOM 264 CB PHE 37 4.117 20.623 104.310 1.00 0.00 ATOM 265 CG PHE 37 4.247 19.831 105.593 1.00 0.00 ATOM 266 CD1 PHE 37 5.268 18.897 105.750 1.00 0.00 ATOM 267 CD2 PHE 37 3.352 20.031 106.633 1.00 0.00 ATOM 268 CE1 PHE 37 5.397 18.168 106.944 1.00 0.00 ATOM 269 CE2 PHE 37 3.467 19.309 107.832 1.00 0.00 ATOM 270 CZ PHE 37 4.502 18.373 107.980 1.00 0.00 ATOM 271 O PHE 37 3.931 20.783 101.009 1.00 0.00 ATOM 272 C PHE 37 3.064 20.644 101.866 1.00 0.00 ATOM 273 N ASP 38 1.831 21.149 101.708 1.00 0.00 ATOM 274 CA ASP 38 1.499 21.875 100.480 1.00 0.00 ATOM 275 CB ASP 38 0.025 22.285 100.480 1.00 0.00 ATOM 276 CG ASP 38 -0.905 21.119 100.207 1.00 0.00 ATOM 277 OD1 ASP 38 -0.406 20.039 99.825 1.00 0.00 ATOM 278 OD2 ASP 38 -2.131 21.285 100.374 1.00 0.00 ATOM 279 O ASP 38 2.522 23.901 101.300 1.00 0.00 ATOM 280 C ASP 38 2.315 23.161 100.334 1.00 0.00 ATOM 281 N ASN 39 2.789 23.395 99.114 1.00 0.00 ATOM 282 CA ASN 39 3.592 24.566 98.763 1.00 0.00 ATOM 283 CB ASN 39 2.893 25.850 99.213 1.00 0.00 ATOM 284 CG ASN 39 1.629 26.133 98.423 1.00 0.00 ATOM 285 ND2 ASN 39 0.665 26.783 99.066 1.00 0.00 ATOM 286 OD1 ASN 39 1.522 25.769 97.252 1.00 0.00 ATOM 287 O ASN 39 5.626 25.643 99.452 1.00 0.00 ATOM 288 C ASN 39 4.976 24.596 99.407 1.00 0.00 ATOM 289 N THR 40 5.424 23.450 99.908 1.00 0.00 ATOM 290 CA THR 40 6.743 23.356 100.526 1.00 0.00 ATOM 291 CB THR 40 6.768 22.313 101.659 1.00 0.00 ATOM 292 CG2 THR 40 5.718 22.641 102.709 1.00 0.00 ATOM 293 OG1 THR 40 6.497 21.012 101.122 1.00 0.00 ATOM 294 O THR 40 7.291 22.604 98.320 1.00 0.00 ATOM 295 C THR 40 7.712 22.941 99.422 1.00 0.00 ATOM 296 N PRO 41 9.028 22.973 99.697 1.00 0.00 ATOM 297 CA PRO 41 10.003 22.571 98.679 1.00 0.00 ATOM 298 CB PRO 41 11.324 22.613 99.387 1.00 0.00 ATOM 299 CG PRO 41 11.163 23.804 100.287 1.00 0.00 ATOM 300 CD PRO 41 9.770 23.584 100.861 1.00 0.00 ATOM 301 O PRO 41 9.856 20.866 96.990 1.00 0.00 ATOM 302 C PRO 41 9.751 21.144 98.183 1.00 0.00 ATOM 303 N ALA 42 9.410 20.231 99.108 1.00 0.00 ATOM 304 CA ALA 42 9.135 18.842 98.747 1.00 0.00 ATOM 305 CB ALA 42 8.807 18.036 99.994 1.00 0.00 ATOM 306 O ALA 42 8.002 18.053 96.782 1.00 0.00 ATOM 307 C ALA 42 7.961 18.779 97.778 1.00 0.00 ATOM 308 N ALA 43 6.925 19.559 98.049 1.00 0.00 ATOM 309 CA ALA 43 5.735 19.593 97.205 1.00 0.00 ATOM 310 CB ALA 43 4.639 20.408 97.874 1.00 0.00 ATOM 311 O ALA 43 5.720 19.623 94.800 1.00 0.00 ATOM 312 C ALA 43 6.031 20.214 95.837 1.00 0.00 ATOM 313 N LEU 44 6.645 21.394 95.839 1.00 0.00 ATOM 314 CA LEU 44 6.964 22.089 94.593 1.00 0.00 ATOM 315 CB LEU 44 7.596 23.451 94.887 1.00 0.00 ATOM 316 CG LEU 44 6.681 24.501 95.518 1.00 0.00 ATOM 317 CD1 LEU 44 7.472 25.741 95.908 1.00 0.00 ATOM 318 CD2 LEU 44 5.592 24.920 94.544 1.00 0.00 ATOM 319 O LEU 44 7.914 21.410 92.498 1.00 0.00 ATOM 320 C LEU 44 7.941 21.308 93.727 1.00 0.00 ATOM 321 N ASP 45 8.798 20.521 94.372 1.00 0.00 ATOM 322 CA ASP 45 9.773 19.691 93.672 1.00 0.00 ATOM 323 CB ASP 45 10.516 18.789 94.659 1.00 0.00 ATOM 324 CG ASP 45 11.609 17.975 93.995 1.00 0.00 ATOM 325 OD1 ASP 45 12.542 18.583 93.429 1.00 0.00 ATOM 326 OD2 ASP 45 11.533 16.729 94.039 1.00 0.00 ATOM 327 O ASP 45 9.530 18.564 91.480 1.00 0.00 ATOM 328 C ASP 45 9.084 18.757 92.610 1.00 0.00 ATOM 329 N GLY 46 7.959 18.166 93.013 1.00 0.00 ATOM 330 CA GLY 46 7.179 17.299 92.120 1.00 0.00 ATOM 331 O GLY 46 7.200 15.113 91.166 1.00 0.00 ATOM 332 C GLY 46 7.801 15.942 91.849 1.00 0.00 ATOM 333 N THR 47 8.999 15.701 92.371 1.00 0.00 ATOM 334 CA THR 47 9.663 14.420 92.148 1.00 0.00 ATOM 335 CB THR 47 11.033 14.550 91.484 1.00 0.00 ATOM 336 CG2 THR 47 10.844 15.198 90.086 1.00 0.00 ATOM 337 OG1 THR 47 11.955 15.331 92.211 1.00 0.00 ATOM 338 O THR 47 10.439 12.549 93.439 1.00 0.00 ATOM 339 C THR 47 9.709 13.541 93.392 1.00 0.00 ATOM 340 N VAL 48 8.944 13.926 94.405 1.00 0.00 ATOM 341 CA VAL 48 8.856 13.165 95.646 1.00 0.00 ATOM 342 CB VAL 48 9.049 14.101 96.826 1.00 0.00 ATOM 343 CG1 VAL 48 8.691 13.358 98.109 1.00 0.00 ATOM 344 CG2 VAL 48 10.520 14.509 96.842 1.00 0.00 ATOM 345 O VAL 48 6.496 13.566 95.657 1.00 0.00 ATOM 346 C VAL 48 7.402 12.749 95.812 1.00 0.00 ATOM 347 N ALA 49 7.184 11.479 96.127 1.00 0.00 ATOM 348 CA ALA 49 5.831 10.982 96.291 1.00 0.00 ATOM 349 CB ALA 49 5.519 9.934 95.235 1.00 0.00 ATOM 350 O ALA 49 6.541 9.806 98.255 1.00 0.00 ATOM 351 C ALA 49 5.617 10.344 97.648 1.00 0.00 ATOM 352 N ALA 50 4.388 10.440 98.131 1.00 0.00 ATOM 353 CA ALA 50 4.026 9.819 99.385 1.00 0.00 ATOM 354 CB ALA 50 2.584 10.147 99.742 1.00 0.00 ATOM 355 O ALA 50 3.798 7.836 98.071 1.00 0.00 ATOM 356 C ALA 50 4.209 8.334 99.124 1.00 0.00 ATOM 357 N GLY 51 4.891 7.647 100.031 1.00 0.00 ATOM 358 CA GLY 51 5.135 6.226 99.850 1.00 0.00 ATOM 359 O GLY 51 7.078 4.841 99.658 1.00 0.00 ATOM 360 C GLY 51 6.580 5.949 99.464 1.00 0.00 ATOM 361 N ASP 52 7.286 6.974 98.989 1.00 0.00 ATOM 362 CA ASP 52 8.694 6.798 98.614 1.00 0.00 ATOM 363 CB ASP 52 9.237 8.075 97.970 1.00 0.00 ATOM 364 CG ASP 52 8.677 8.312 96.581 1.00 0.00 ATOM 365 OD1 ASP 52 8.031 7.391 96.037 1.00 0.00 ATOM 366 OD2 ASP 52 8.883 9.418 96.038 1.00 0.00 ATOM 367 O ASP 52 9.314 7.185 100.908 1.00 0.00 ATOM 368 C ASP 52 9.531 6.570 99.863 1.00 0.00 ATOM 369 N GLU 53 10.530 5.718 99.748 1.00 0.00 ATOM 370 CA GLU 53 11.416 5.394 100.848 1.00 0.00 ATOM 371 CB GLU 53 11.634 3.882 100.896 1.00 0.00 ATOM 372 CG GLU 53 13.010 3.318 100.730 1.00 0.00 ATOM 373 CD GLU 53 13.068 1.801 100.832 1.00 0.00 ATOM 374 OE1 GLU 53 12.085 1.170 101.300 1.00 0.00 ATOM 375 OE2 GLU 53 14.108 1.237 100.439 1.00 0.00 ATOM 376 O GLU 53 13.255 6.372 99.639 1.00 0.00 ATOM 377 C GLU 53 12.705 6.210 100.730 1.00 0.00 ATOM 378 N ILE 54 13.197 6.693 101.861 1.00 0.00 ATOM 379 CA ILE 54 14.431 7.459 101.874 1.00 0.00 ATOM 380 CB ILE 54 14.371 8.597 102.911 1.00 0.00 ATOM 381 CG1 ILE 54 13.229 9.559 102.581 1.00 0.00 ATOM 382 CG2 ILE 54 15.675 9.381 102.916 1.00 0.00 ATOM 383 CD1 ILE 54 12.957 10.580 103.664 1.00 0.00 ATOM 384 O ILE 54 15.557 5.873 103.289 1.00 0.00 ATOM 385 C ILE 54 15.565 6.495 102.224 1.00 0.00 ATOM 386 N THR 55 16.522 6.347 101.310 1.00 0.00 ATOM 387 CA THR 55 17.643 5.443 101.534 1.00 0.00 ATOM 388 CB THR 55 18.200 4.888 100.209 1.00 0.00 ATOM 389 CG2 THR 55 19.364 3.944 100.474 1.00 0.00 ATOM 390 OG1 THR 55 17.170 4.171 99.517 1.00 0.00 ATOM 391 O THR 55 19.431 5.577 103.125 1.00 0.00 ATOM 392 C THR 55 18.789 6.151 102.243 1.00 0.00 ATOM 393 N GLY 56 19.035 7.477 101.867 1.00 0.00 ATOM 394 CA GLY 56 20.106 8.225 102.511 1.00 0.00 ATOM 395 O GLY 56 19.248 10.217 101.513 1.00 0.00 ATOM 396 C GLY 56 19.865 9.719 102.454 1.00 0.00 ATOM 397 N VAL 57 20.401 10.444 103.456 1.00 0.00 ATOM 398 CA VAL 57 20.228 11.885 103.498 1.00 0.00 ATOM 399 CB VAL 57 19.406 12.235 104.751 1.00 0.00 ATOM 400 CG1 VAL 57 19.210 13.739 104.859 1.00 0.00 ATOM 401 CG2 VAL 57 18.036 11.575 104.691 1.00 0.00 ATOM 402 O VAL 57 22.341 12.305 104.558 1.00 0.00 ATOM 403 C VAL 57 21.595 12.549 103.609 1.00 0.00 ATOM 404 N ASN 58 21.917 13.387 102.621 1.00 0.00 ATOM 405 CA ASN 58 23.207 14.067 102.586 1.00 0.00 ATOM 406 CB ASN 58 23.281 15.162 103.631 1.00 0.00 ATOM 407 CG ASN 58 22.303 16.278 103.332 1.00 0.00 ATOM 408 ND2 ASN 58 21.424 16.565 104.285 1.00 0.00 ATOM 409 OD1 ASN 58 22.338 16.876 102.257 1.00 0.00 ATOM 410 O ASN 58 25.325 13.322 103.452 1.00 0.00 ATOM 411 C ASN 58 24.350 13.067 102.745 1.00 0.00 ATOM 412 N GLY 59 24.220 11.929 102.068 1.00 0.00 ATOM 413 CA GLY 59 25.252 10.908 102.114 1.00 0.00 ATOM 414 O GLY 59 26.000 9.024 103.412 1.00 0.00 ATOM 415 C GLY 59 25.232 9.993 103.338 1.00 0.00 ATOM 416 N ARG 60 24.316 10.185 104.252 1.00 0.00 ATOM 417 CA ARG 60 24.247 9.353 105.458 1.00 0.00 ATOM 418 CB ARG 60 24.143 10.206 106.714 1.00 0.00 ATOM 419 CG ARG 60 25.207 11.201 106.841 1.00 0.00 ATOM 420 CD ARG 60 25.211 11.868 108.157 1.00 0.00 ATOM 421 NE ARG 60 26.085 13.023 108.156 1.00 0.00 ATOM 422 CZ ARG 60 26.040 13.972 109.066 1.00 0.00 ATOM 423 NH1 ARG 60 25.200 13.910 110.066 1.00 0.00 ATOM 424 NH2 ARG 60 26.869 15.011 108.964 1.00 0.00 ATOM 425 O ARG 60 21.989 8.636 105.094 1.00 0.00 ATOM 426 C ARG 60 23.150 8.303 105.324 1.00 0.00 ATOM 427 N SER 61 23.538 7.037 105.465 1.00 0.00 ATOM 428 CA SER 61 22.619 5.902 105.374 1.00 0.00 ATOM 429 CB SER 61 23.383 4.582 105.511 1.00 0.00 ATOM 430 OG SER 61 22.505 3.475 105.413 1.00 0.00 ATOM 431 O SER 61 21.908 5.965 107.667 1.00 0.00 ATOM 432 C SER 61 21.566 5.969 106.484 1.00 0.00 ATOM 433 N ILE 62 20.287 6.001 106.116 1.00 0.00 ATOM 434 CA ILE 62 19.226 6.065 107.120 1.00 0.00 ATOM 435 CB ILE 62 18.486 7.402 107.053 1.00 0.00 ATOM 436 CG1 ILE 62 17.810 7.689 105.712 1.00 0.00 ATOM 437 CG2 ILE 62 19.451 8.547 107.498 1.00 0.00 ATOM 438 CD1 ILE 62 16.819 8.853 105.734 1.00 0.00 ATOM 439 O ILE 62 17.114 4.971 107.497 1.00 0.00 ATOM 440 C ILE 62 18.242 4.904 106.992 1.00 0.00 ATOM 441 N LYS 63 18.678 3.833 106.337 1.00 0.00 ATOM 442 CA LYS 63 17.825 2.664 106.139 1.00 0.00 ATOM 443 CB LYS 63 18.601 1.550 105.433 1.00 0.00 ATOM 444 CG LYS 63 17.787 0.293 105.178 1.00 0.00 ATOM 445 CD LYS 63 18.593 -0.741 104.408 1.00 0.00 ATOM 446 CE LYS 63 17.789 -2.011 104.182 1.00 0.00 ATOM 447 NZ LYS 63 18.566 -3.031 103.425 1.00 0.00 ATOM 448 O LYS 63 16.154 1.679 107.542 1.00 0.00 ATOM 449 C LYS 63 17.310 2.087 107.453 1.00 0.00 ATOM 450 N GLY 64 18.151 2.082 108.482 1.00 0.00 ATOM 451 CA GLY 64 17.748 1.527 109.772 1.00 0.00 ATOM 452 O GLY 64 17.766 2.252 112.041 1.00 0.00 ATOM 453 C GLY 64 17.688 2.582 110.857 1.00 0.00 ATOM 454 N LYS 65 17.543 3.835 110.494 1.00 0.00 ATOM 455 CA LYS 65 17.484 4.908 111.476 1.00 0.00 ATOM 456 CB LYS 65 17.908 6.270 110.882 1.00 0.00 ATOM 457 CG LYS 65 19.316 6.289 110.278 1.00 0.00 ATOM 458 CD LYS 65 20.336 5.896 111.323 1.00 0.00 ATOM 459 CE LYS 65 21.741 5.880 110.746 1.00 0.00 ATOM 460 NZ LYS 65 22.754 5.482 111.763 1.00 0.00 ATOM 461 O LYS 65 15.082 4.700 111.442 1.00 0.00 ATOM 462 C LYS 65 16.088 5.059 112.066 1.00 0.00 ATOM 463 N THR 66 16.039 5.600 113.276 1.00 0.00 ATOM 464 CA THR 66 14.780 5.872 113.946 1.00 0.00 ATOM 465 CB THR 66 14.986 6.091 115.455 1.00 0.00 ATOM 466 CG2 THR 66 15.676 4.888 116.079 1.00 0.00 ATOM 467 OG1 THR 66 15.798 7.252 115.667 1.00 0.00 ATOM 468 O THR 66 15.033 7.884 112.677 1.00 0.00 ATOM 469 C THR 66 14.253 7.141 113.278 1.00 0.00 ATOM 470 N LYS 67 12.960 7.416 113.405 1.00 0.00 ATOM 471 CA LYS 67 12.406 8.622 112.799 1.00 0.00 ATOM 472 CB LYS 67 10.903 8.715 113.067 1.00 0.00 ATOM 473 CG LYS 67 10.224 9.900 112.400 1.00 0.00 ATOM 474 CD LYS 67 8.722 9.878 112.629 1.00 0.00 ATOM 475 CE LYS 67 8.382 10.147 114.085 1.00 0.00 ATOM 476 NZ LYS 67 6.912 10.167 114.319 1.00 0.00 ATOM 477 O LYS 67 13.433 10.784 112.628 1.00 0.00 ATOM 478 C LYS 67 13.080 9.867 113.367 1.00 0.00 ATOM 479 N VAL 68 13.232 9.912 114.686 1.00 0.00 ATOM 480 CA VAL 68 13.851 11.069 115.321 1.00 0.00 ATOM 481 CB VAL 68 13.945 10.892 116.848 1.00 0.00 ATOM 482 CG1 VAL 68 14.768 12.012 117.465 1.00 0.00 ATOM 483 CG2 VAL 68 12.559 10.915 117.473 1.00 0.00 ATOM 484 O VAL 68 15.673 12.480 114.667 1.00 0.00 ATOM 485 C VAL 68 15.267 11.326 114.824 1.00 0.00 ATOM 486 N GLU 69 16.024 10.258 114.593 1.00 0.00 ATOM 487 CA GLU 69 17.394 10.389 114.111 1.00 0.00 ATOM 488 CB GLU 69 18.050 9.013 113.976 1.00 0.00 ATOM 489 CG GLU 69 18.352 8.337 115.304 1.00 0.00 ATOM 490 CD GLU 69 18.886 6.929 115.130 1.00 0.00 ATOM 491 OE1 GLU 69 18.949 6.454 113.977 1.00 0.00 ATOM 492 OE2 GLU 69 19.240 6.300 116.149 1.00 0.00 ATOM 493 O GLU 69 18.268 11.942 112.499 1.00 0.00 ATOM 494 C GLU 69 17.422 11.083 112.751 1.00 0.00 ATOM 495 N VAL 70 16.477 10.734 111.883 1.00 0.00 ATOM 496 CA VAL 70 16.427 11.354 110.564 1.00 0.00 ATOM 497 CB VAL 70 15.430 10.615 109.674 1.00 0.00 ATOM 498 CG1 VAL 70 15.155 11.414 108.402 1.00 0.00 ATOM 499 CG2 VAL 70 16.042 9.255 109.423 1.00 0.00 ATOM 500 O VAL 70 16.618 13.690 110.055 1.00 0.00 ATOM 501 C VAL 70 16.033 12.819 110.704 1.00 0.00 ATOM 502 N ALA 71 15.066 13.094 111.576 1.00 0.00 ATOM 503 CA ALA 71 14.629 14.472 111.793 1.00 0.00 ATOM 504 CB ALA 71 13.498 14.516 112.810 1.00 0.00 ATOM 505 O ALA 71 15.999 16.441 111.867 1.00 0.00 ATOM 506 C ALA 71 15.795 15.312 112.315 1.00 0.00 ATOM 507 N LYS 72 16.561 14.765 113.256 1.00 0.00 ATOM 508 CA LYS 72 17.697 15.507 113.802 1.00 0.00 ATOM 509 CB LYS 72 18.408 14.683 114.876 1.00 0.00 ATOM 510 CG LYS 72 17.613 14.520 116.162 1.00 0.00 ATOM 511 CD LYS 72 18.378 13.696 117.184 1.00 0.00 ATOM 512 CE LYS 72 17.573 13.512 118.460 1.00 0.00 ATOM 513 NZ LYS 72 18.297 12.677 119.458 1.00 0.00 ATOM 514 O LYS 72 19.262 16.918 112.653 1.00 0.00 ATOM 515 C LYS 72 18.708 15.820 112.702 1.00 0.00 ATOM 516 N MET 73 18.952 14.848 111.827 1.00 0.00 ATOM 517 CA MET 73 19.889 15.033 110.722 1.00 0.00 ATOM 518 CB MET 73 20.040 13.780 109.922 1.00 0.00 ATOM 519 CG MET 73 21.036 13.933 108.810 1.00 0.00 ATOM 520 SD MET 73 21.280 12.369 107.985 1.00 0.00 ATOM 521 CE MET 73 19.853 11.411 108.646 1.00 0.00 ATOM 522 O MET 73 20.213 16.985 109.355 1.00 0.00 ATOM 523 C MET 73 19.417 16.157 109.803 1.00 0.00 ATOM 524 N ILE 74 18.129 16.172 109.524 1.00 0.00 ATOM 525 CA ILE 74 17.579 17.206 108.662 1.00 0.00 ATOM 526 CB ILE 74 16.059 16.948 108.397 1.00 0.00 ATOM 527 CG1 ILE 74 15.888 15.692 107.526 1.00 0.00 ATOM 528 CG2 ILE 74 15.408 18.181 107.740 1.00 0.00 ATOM 529 CD1 ILE 74 14.428 15.265 107.320 1.00 0.00 ATOM 530 O ILE 74 18.172 19.533 108.616 1.00 0.00 ATOM 531 C ILE 74 17.764 18.582 109.290 1.00 0.00 ATOM 532 N GLN 75 17.482 18.703 110.594 1.00 0.00 ATOM 533 CA GLN 75 17.636 19.984 111.268 1.00 0.00 ATOM 534 CB GLN 75 17.096 19.884 112.697 1.00 0.00 ATOM 535 CG GLN 75 15.591 19.688 112.779 1.00 0.00 ATOM 536 CD GLN 75 15.096 19.567 114.208 1.00 0.00 ATOM 537 OE1 GLN 75 15.877 19.664 115.155 1.00 0.00 ATOM 538 NE2 GLN 75 13.795 19.357 114.366 1.00 0.00 ATOM 539 O GLN 75 19.362 21.621 111.128 1.00 0.00 ATOM 540 C GLN 75 19.092 20.430 111.258 1.00 0.00 ATOM 541 N GLU 76 20.017 19.491 111.342 1.00 0.00 ATOM 542 CA GLU 76 21.430 19.868 111.322 1.00 0.00 ATOM 543 CB GLU 76 22.254 18.638 111.705 1.00 0.00 ATOM 544 CG GLU 76 22.011 18.143 113.121 1.00 0.00 ATOM 545 CD GLU 76 22.792 16.884 113.440 1.00 0.00 ATOM 546 OE1 GLU 76 23.507 16.384 112.546 1.00 0.00 ATOM 547 OE2 GLU 76 22.691 16.396 114.587 1.00 0.00 ATOM 548 O GLU 76 22.891 21.156 109.929 1.00 0.00 ATOM 549 C GLU 76 21.901 20.428 109.988 1.00 0.00 ATOM 550 N VAL 77 21.157 20.131 108.928 1.00 0.00 ATOM 551 CA VAL 77 21.508 20.617 107.603 1.00 0.00 ATOM 552 CB VAL 77 20.780 19.821 106.497 1.00 0.00 ATOM 553 CG1 VAL 77 20.920 18.293 106.744 1.00 0.00 ATOM 554 CG2 VAL 77 19.297 20.232 106.395 1.00 0.00 ATOM 555 O VAL 77 20.492 22.697 108.247 1.00 0.00 ATOM 556 C VAL 77 21.245 22.115 107.467 1.00 0.00 ATOM 557 N LYS 78 21.849 22.800 106.415 1.00 0.00 ATOM 558 CA LYS 78 21.644 24.224 106.200 1.00 0.00 ATOM 559 CB LYS 78 22.714 24.783 105.262 1.00 0.00 ATOM 560 CG LYS 78 24.119 24.770 105.844 1.00 0.00 ATOM 561 CD LYS 78 25.123 25.372 104.874 1.00 0.00 ATOM 562 CE LYS 78 26.528 25.356 105.456 1.00 0.00 ATOM 563 NZ LYS 78 27.527 25.923 104.508 1.00 0.00 ATOM 564 O LYS 78 19.243 24.206 106.223 1.00 0.00 ATOM 565 C LYS 78 20.266 24.421 105.574 1.00 0.00 ATOM 566 N GLY 79 20.246 24.799 104.301 1.00 0.00 ATOM 567 CA GLY 79 18.997 25.018 103.592 1.00 0.00 ATOM 568 O GLY 79 17.754 23.947 101.850 1.00 0.00 ATOM 569 C GLY 79 18.789 23.954 102.526 1.00 0.00 ATOM 570 N GLU 80 19.524 22.942 102.491 1.00 0.00 ATOM 571 CA GLU 80 19.426 21.879 101.496 1.00 0.00 ATOM 572 CB GLU 80 20.478 22.072 100.391 1.00 0.00 ATOM 573 CG GLU 80 20.399 23.406 99.660 1.00 0.00 ATOM 574 CD GLU 80 21.169 23.436 98.337 1.00 0.00 ATOM 575 OE1 GLU 80 22.243 22.781 98.227 1.00 0.00 ATOM 576 OE2 GLU 80 20.689 24.119 97.399 1.00 0.00 ATOM 577 O GLU 80 20.667 20.258 102.778 1.00 0.00 ATOM 578 C GLU 80 19.717 20.483 102.024 1.00 0.00 ATOM 579 N VAL 81 18.962 19.525 101.506 1.00 0.00 ATOM 580 CA VAL 81 19.145 18.130 101.864 1.00 0.00 ATOM 581 CB VAL 81 18.058 17.681 102.867 1.00 0.00 ATOM 582 CG1 VAL 81 18.123 16.173 103.083 1.00 0.00 ATOM 583 CG2 VAL 81 18.234 18.426 104.178 1.00 0.00 ATOM 584 O VAL 81 18.043 17.501 99.830 1.00 0.00 ATOM 585 C VAL 81 18.998 17.311 100.588 1.00 0.00 ATOM 586 N THR 82 19.933 16.390 100.367 1.00 0.00 ATOM 587 CA THR 82 19.866 15.535 99.196 1.00 0.00 ATOM 588 CB THR 82 21.235 15.448 98.508 1.00 0.00 ATOM 589 CG2 THR 82 21.128 14.565 97.262 1.00 0.00 ATOM 590 OG1 THR 82 21.655 16.765 98.130 1.00 0.00 ATOM 591 O THR 82 19.949 13.593 100.583 1.00 0.00 ATOM 592 C THR 82 19.364 14.192 99.684 1.00 0.00 ATOM 593 N ILE 83 18.264 13.740 99.096 1.00 0.00 ATOM 594 CA ILE 83 17.652 12.485 99.503 1.00 0.00 ATOM 595 CB ILE 83 16.174 12.676 99.886 1.00 0.00 ATOM 596 CG1 ILE 83 16.046 13.656 101.053 1.00 0.00 ATOM 597 CG2 ILE 83 15.554 11.350 100.301 1.00 0.00 ATOM 598 CD1 ILE 83 14.621 14.053 101.363 1.00 0.00 ATOM 599 O ILE 83 17.222 11.722 97.280 1.00 0.00 ATOM 600 C ILE 83 17.711 11.464 98.380 1.00 0.00 ATOM 601 N HIS 84 18.366 10.338 98.629 1.00 0.00 ATOM 602 CA HIS 84 18.407 9.271 97.624 1.00 0.00 ATOM 603 CB HIS 84 19.531 8.331 98.006 1.00 0.00 ATOM 604 CG HIS 84 20.854 8.964 97.725 1.00 0.00 ATOM 605 CD2 HIS 84 21.482 9.221 96.556 1.00 0.00 ATOM 606 ND1 HIS 84 21.636 9.523 98.712 1.00 0.00 ATOM 607 CE1 HIS 84 22.689 10.102 98.160 1.00 0.00 ATOM 608 NE2 HIS 84 22.620 9.933 96.854 1.00 0.00 ATOM 609 O HIS 84 17.096 8.166 99.294 1.00 0.00 ATOM 610 C HIS 84 17.215 8.476 98.096 1.00 0.00 ATOM 611 N TYR 85 16.325 8.130 97.138 1.00 0.00 ATOM 612 CA TYR 85 15.097 7.411 97.406 1.00 0.00 ATOM 613 CB TYR 85 13.865 8.318 97.464 1.00 0.00 ATOM 614 CG TYR 85 13.513 8.957 96.141 1.00 0.00 ATOM 615 CD1 TYR 85 12.600 8.356 95.282 1.00 0.00 ATOM 616 CD2 TYR 85 14.091 10.158 95.754 1.00 0.00 ATOM 617 CE1 TYR 85 12.271 8.932 94.070 1.00 0.00 ATOM 618 CE2 TYR 85 13.774 10.750 94.546 1.00 0.00 ATOM 619 CZ TYR 85 12.855 10.126 93.703 1.00 0.00 ATOM 620 OH TYR 85 12.528 10.702 92.497 1.00 0.00 ATOM 621 O TYR 85 15.238 6.442 95.228 1.00 0.00 ATOM 622 C TYR 85 14.803 6.339 96.377 1.00 0.00 ATOM 623 N ASN 86 13.913 5.334 96.812 1.00 0.00 ATOM 624 CA ASN 86 13.491 4.337 95.842 1.00 0.00 ATOM 625 CB ASN 86 13.709 2.927 96.392 1.00 0.00 ATOM 626 CG ASN 86 13.370 1.848 95.383 1.00 0.00 ATOM 627 ND2 ASN 86 13.933 0.661 95.576 1.00 0.00 ATOM 628 OD1 ASN 86 12.612 2.082 94.442 1.00 0.00 ATOM 629 O ASN 86 11.235 4.685 96.602 1.00 0.00 ATOM 630 C ASN 86 12.014 4.642 95.641 1.00 0.00 ATOM 631 N LYS 87 11.658 4.939 94.396 1.00 0.00 ATOM 632 CA LYS 87 10.286 5.290 94.060 1.00 0.00 ATOM 633 CB LYS 87 10.203 5.793 92.617 1.00 0.00 ATOM 634 CG LYS 87 8.813 6.241 92.196 1.00 0.00 ATOM 635 CD LYS 87 8.808 6.754 90.765 1.00 0.00 ATOM 636 CE LYS 87 7.418 7.201 90.344 1.00 0.00 ATOM 637 NZ LYS 87 7.394 7.687 88.936 1.00 0.00 ATOM 638 O LYS 87 9.719 2.968 94.028 1.00 0.00 ATOM 639 C LYS 87 9.339 4.127 94.186 1.00 0.00 ATOM 640 N LEU 88 8.069 4.428 94.481 1.00 0.00 ATOM 641 CA LEU 88 7.062 3.387 94.628 1.00 0.00 ATOM 642 CB LEU 88 5.745 3.981 95.129 1.00 0.00 ATOM 643 CG LEU 88 4.632 2.983 95.455 1.00 0.00 ATOM 644 CD1 LEU 88 5.023 2.109 96.637 1.00 0.00 ATOM 645 CD2 LEU 88 3.344 3.711 95.807 1.00 0.00 ATOM 646 O LEU 88 6.750 3.334 92.249 1.00 0.00 ATOM 647 C LEU 88 6.767 2.703 93.305 1.00 0.00 ATOM 648 N GLN 89 6.555 1.399 93.378 1.00 0.00 ATOM 649 CA GLN 89 6.257 0.595 92.187 1.00 0.00 ATOM 650 CB GLN 89 6.009 -0.837 92.419 1.00 0.00 ATOM 651 CG GLN 89 4.619 -1.276 92.848 1.00 0.00 ATOM 652 CD GLN 89 4.621 -2.697 93.415 1.00 0.00 ATOM 653 OE1 GLN 89 4.106 -2.937 94.507 1.00 0.00 ATOM 654 NE2 GLN 89 5.211 -3.634 92.673 1.00 0.00 ATOM 655 O GLN 89 4.920 1.246 90.295 1.00 0.00 ATOM 656 C GLN 89 4.980 1.125 91.521 1.00 0.00 ATOM 657 N TYR 90 3.989 1.496 92.329 1.00 0.00 ATOM 658 CA TYR 90 2.730 2.013 91.796 1.00 0.00 ATOM 659 CB TYR 90 1.762 2.340 92.896 1.00 0.00 ATOM 660 CG TYR 90 0.543 3.087 92.408 1.00 0.00 ATOM 661 CD1 TYR 90 -0.514 2.395 91.859 1.00 0.00 ATOM 662 CD2 TYR 90 0.437 4.445 92.585 1.00 0.00 ATOM 663 CE1 TYR 90 -1.655 3.072 91.418 1.00 0.00 ATOM 664 CE2 TYR 90 -0.706 5.139 92.155 1.00 0.00 ATOM 665 CZ TYR 90 -1.740 4.411 91.580 1.00 0.00 ATOM 666 OH TYR 90 -2.901 5.005 91.124 1.00 0.00 ATOM 667 O TYR 90 2.513 3.506 89.905 1.00 0.00 ATOM 668 C TYR 90 2.977 3.340 91.039 1.00 0.00 ATOM 669 N TYR 91 3.625 4.316 91.671 1.00 0.00 ATOM 670 CA TYR 91 3.885 5.598 90.999 1.00 0.00 ATOM 671 CB TYR 91 4.493 6.643 91.951 1.00 0.00 ATOM 672 CG TYR 91 3.491 7.110 92.984 1.00 0.00 ATOM 673 CD1 TYR 91 2.244 7.615 92.591 1.00 0.00 ATOM 674 CD2 TYR 91 3.752 6.991 94.346 1.00 0.00 ATOM 675 CE1 TYR 91 1.294 7.977 93.529 1.00 0.00 ATOM 676 CE2 TYR 91 2.806 7.350 95.293 1.00 0.00 ATOM 677 CZ TYR 91 1.584 7.839 94.878 1.00 0.00 ATOM 678 OH TYR 91 0.666 8.187 95.814 1.00 0.00 ATOM 679 O TYR 91 4.625 6.182 88.826 1.00 0.00 ATOM 680 C TYR 91 4.748 5.420 89.767 1.00 0.00 ATOM 681 N LYS 92 5.613 4.409 89.781 1.00 0.00 ATOM 682 CA LYS 92 6.495 4.080 88.651 1.00 0.00 ATOM 683 CB LYS 92 7.296 2.824 88.989 1.00 0.00 ATOM 684 CG LYS 92 8.745 3.029 89.295 1.00 0.00 ATOM 685 CD LYS 92 9.494 3.442 88.072 1.00 0.00 ATOM 686 CE LYS 92 10.947 3.047 88.201 1.00 0.00 ATOM 687 NZ LYS 92 11.841 4.006 87.496 1.00 0.00 ATOM 688 O LYS 92 6.019 4.098 86.285 1.00 0.00 ATOM 689 C LYS 92 5.655 3.758 87.407 1.00 0.00 ATOM 690 N VAL 93 4.533 3.100 87.677 1.00 0.00 ATOM 691 CA VAL 93 3.653 2.727 86.573 1.00 0.00 ATOM 692 CB VAL 93 2.787 1.495 86.923 1.00 0.00 ATOM 693 CG1 VAL 93 1.755 1.254 85.830 1.00 0.00 ATOM 694 CG2 VAL 93 3.671 0.275 87.087 1.00 0.00 ATOM 695 O VAL 93 2.032 4.378 87.135 1.00 0.00 ATOM 696 C VAL 93 2.729 3.884 86.222 1.00 0.00 TER END