PFRMAT TS TARGET T0314 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 8 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD METHOD We were really flailing on this model, as our ab initio techniques METHOD were not making much progress in the short time available. METHOD METHOD We are submitting METHOD METHOD Model 1 is T0314.try48-opt2, the closest match to the secondary METHOD structure predictions. Grant made a hairpin of residues 20-29 because METHOD of strand predictions and separation predictions that looked good from METHOD the sep alphabets. The helix constraints are straight out of the METHOD neural net predictions. Grant made the sheet constraints from the METHOD str2 secondary structure predictions. He made a small sheet METHOD constraint that he ended up removing later. The first run of these METHOD constraints (try20.costfcn) gave me a very good base to start from, METHOD but there was an extra strand that wasn't pairing up with the rest of METHOD the sheet. Grant finally ended up moving the strand manually with METHOD ProteinShop adding breaks to the models in order to get the strands to METHOD form correctly in undertaker. METHOD METHOD Model 2 is try30-opt2 which came from try13-opt2. Try13 was a METHOD polishing run on the five Robetta server models. We ended up getting METHOD something vaguely proteinlike. METHOD METHOD Model 3, try21-opt2, was an attempt to get the strand in place from METHOD try20-opt2, but it didn't work well. It ended up looking decent on METHOD its own, so it's a valid model. METHOD METHOD Model 4, try35-opt2, is a polished model based on alignments from a METHOD lipoprotein Grant found in the PDB. A lipoprotein in E.coli (1oapA) METHOD was of similar length and he got a few other structures from vast METHOD (2aizP,1r1mA) to make alignments from. We ended up with a structure METHOD that looked somewhat like the E.coli lipoprotein. METHOD METHOD Model 5, try14-opt2, was a polish of the best scoring Pcons6 model METHOD (TS4) (which is really robetta model 7) in undertaker. Grant ran a METHOD polishing run on it and this is the model. REMARK 6 REMARK 6 T0314 model 3 Wed Jul 12 20:53:06 2006 MODEL 3 PARENT 1oap_A 1vem_A 1ksh_A 1zi8_A 1din REMARK 7 REMARK 7 ALLPARENTS 1oap_A 1vem_A 1ksh_A 1zi8_A 1din 2cb2_A 1itc_A REMARK 7 ALLPARENTS 2f1k_A 1g5b_A ATOM 1 N MET 1 16.044 -11.546 11.491 1.00 0.00 ATOM 2 CA MET 1 14.851 -10.770 11.930 1.00 0.00 ATOM 3 CB MET 1 14.352 -11.275 13.285 1.00 0.00 ATOM 4 CG MET 1 13.038 -10.654 13.732 1.00 0.00 ATOM 5 SD MET 1 12.489 -11.271 15.335 1.00 0.00 ATOM 6 CE MET 1 11.929 -12.914 14.893 1.00 0.00 ATOM 7 O MET 1 16.252 -8.902 12.492 1.00 0.00 ATOM 8 C MET 1 15.183 -9.276 12.007 1.00 0.00 ATOM 9 N SER 2 14.266 -8.453 11.536 1.00 0.00 ATOM 10 CA SER 2 14.472 -7.002 11.601 1.00 0.00 ATOM 11 CB SER 2 14.628 -6.460 10.177 1.00 0.00 ATOM 12 OG SER 2 14.626 -5.034 10.161 1.00 0.00 ATOM 13 O SER 2 12.111 -6.813 11.973 1.00 0.00 ATOM 14 C SER 2 13.236 -6.365 12.209 1.00 0.00 ATOM 15 N ILE 3 13.452 -5.367 13.029 1.00 0.00 ATOM 16 CA ILE 3 12.368 -4.647 13.673 1.00 0.00 ATOM 17 CB ILE 3 12.588 -4.531 15.202 1.00 0.00 ATOM 18 CG1 ILE 3 12.421 -5.914 15.839 1.00 0.00 ATOM 19 CG2 ILE 3 11.605 -3.530 15.812 1.00 0.00 ATOM 20 CD1 ILE 3 12.765 -5.962 17.310 1.00 0.00 ATOM 21 O ILE 3 13.114 -2.514 12.865 1.00 0.00 ATOM 22 C ILE 3 12.159 -3.254 13.092 1.00 0.00 ATOM 23 N THR 4 10.899 -2.916 12.835 1.00 0.00 ATOM 24 CA THR 4 10.551 -1.602 12.305 1.00 0.00 ATOM 25 CB THR 4 9.695 -1.722 11.030 1.00 0.00 ATOM 26 CG2 THR 4 9.312 -0.337 10.511 1.00 0.00 ATOM 27 OG1 THR 4 10.450 -2.405 10.022 1.00 0.00 ATOM 28 O THR 4 8.669 -1.253 13.755 1.00 0.00 ATOM 29 C THR 4 9.765 -0.847 13.365 1.00 0.00 ATOM 30 N SER 5 10.304 0.285 13.794 1.00 0.00 ATOM 31 CA SER 5 9.660 1.073 14.836 1.00 0.00 ATOM 32 CB SER 5 10.322 0.792 16.188 1.00 0.00 ATOM 33 OG SER 5 9.743 1.582 17.212 1.00 0.00 ATOM 34 O SER 5 10.899 3.101 14.516 1.00 0.00 ATOM 35 C SER 5 9.794 2.557 14.519 1.00 0.00 ATOM 36 N THR 6 8.590 3.217 14.300 1.00 0.00 ATOM 37 CA THR 6 8.560 4.641 13.984 1.00 0.00 ATOM 38 CB THR 6 8.879 5.180 12.853 1.00 0.00 ATOM 39 CG2 THR 6 8.066 6.433 12.516 1.00 0.00 ATOM 40 OG1 THR 6 10.259 5.530 13.086 1.00 0.00 ATOM 41 O THR 6 6.417 5.123 14.952 1.00 0.00 ATOM 42 C THR 6 7.630 5.335 14.970 1.00 0.00 ATOM 43 N ASP 7 8.333 6.190 15.917 1.00 0.00 ATOM 44 CA ASP 7 7.574 6.894 16.952 1.00 0.00 ATOM 45 CB ASP 7 8.279 6.777 18.306 1.00 0.00 ATOM 46 CG ASP 7 7.514 7.461 19.421 1.00 0.00 ATOM 47 OD1 ASP 7 6.467 8.078 19.133 1.00 0.00 ATOM 48 OD2 ASP 7 7.962 7.380 20.584 1.00 0.00 ATOM 49 O ASP 7 8.375 9.132 16.564 1.00 0.00 ATOM 50 C ASP 7 7.400 8.380 16.616 1.00 0.00 ATOM 51 N ILE 8 6.173 8.816 16.384 1.00 0.00 ATOM 52 CA ILE 8 5.890 10.184 16.016 1.00 0.00 ATOM 53 CB ILE 8 5.003 10.281 14.761 1.00 0.00 ATOM 54 CG1 ILE 8 5.705 9.641 13.562 1.00 0.00 ATOM 55 CG2 ILE 8 4.710 11.736 14.428 1.00 0.00 ATOM 56 CD1 ILE 8 4.823 9.508 12.339 1.00 0.00 ATOM 57 O ILE 8 4.008 10.524 17.476 1.00 0.00 ATOM 58 C ILE 8 5.151 10.868 17.170 1.00 0.00 ATOM 59 N CYS 9 5.798 11.832 17.813 1.00 0.00 ATOM 60 CA CYS 9 5.168 12.526 18.927 1.00 0.00 ATOM 61 CB CYS 9 6.131 13.547 19.536 1.00 0.00 ATOM 62 SG CYS 9 5.481 14.420 20.978 1.00 0.00 ATOM 63 O CYS 9 2.846 13.121 19.083 1.00 0.00 ATOM 64 C CYS 9 3.909 13.262 18.472 1.00 0.00 ATOM 65 N GLN 10 4.018 14.044 17.399 1.00 0.00 ATOM 66 CA GLN 10 2.858 14.775 16.893 1.00 0.00 ATOM 67 CB GLN 10 2.936 16.200 17.145 1.00 0.00 ATOM 68 CG GLN 10 1.718 16.972 16.702 1.00 0.00 ATOM 69 CD GLN 10 1.914 18.476 16.890 1.00 0.00 ATOM 70 OE1 GLN 10 2.462 18.926 17.907 1.00 0.00 ATOM 71 NE2 GLN 10 1.464 19.261 15.910 1.00 0.00 ATOM 72 O GLN 10 2.197 13.983 14.739 1.00 0.00 ATOM 73 C GLN 10 2.090 13.860 15.954 1.00 0.00 ATOM 74 N ALA 11 1.328 12.940 16.539 1.00 0.00 ATOM 75 CA ALA 11 0.552 11.988 15.765 1.00 0.00 ATOM 76 CB ALA 11 -0.275 11.105 16.687 1.00 0.00 ATOM 77 O ALA 11 -0.917 11.911 13.805 1.00 0.00 ATOM 78 C ALA 11 -0.478 12.601 14.797 1.00 0.00 ATOM 79 N ALA 12 -0.864 13.820 15.049 1.00 0.00 ATOM 80 CA ALA 12 -1.837 14.491 14.166 1.00 0.00 ATOM 81 CB ALA 12 -2.105 15.909 14.650 1.00 0.00 ATOM 82 O ALA 12 -2.054 14.581 11.781 1.00 0.00 ATOM 83 C ALA 12 -1.289 14.567 12.741 1.00 0.00 ATOM 84 N ASP 13 0.034 14.626 12.614 1.00 0.00 ATOM 85 CA ASP 13 0.671 14.671 11.301 1.00 0.00 ATOM 86 CB ASP 13 2.193 14.731 11.446 1.00 0.00 ATOM 87 CG ASP 13 2.678 16.080 11.942 1.00 0.00 ATOM 88 OD1 ASP 13 1.873 17.036 11.945 1.00 0.00 ATOM 89 OD2 ASP 13 3.861 16.181 12.326 1.00 0.00 ATOM 90 O ASP 13 -0.081 13.531 9.342 1.00 0.00 ATOM 91 C ASP 13 0.308 13.426 10.496 1.00 0.00 ATOM 92 N ALA 14 0.417 12.249 11.113 1.00 0.00 ATOM 93 CA ALA 14 0.083 11.013 10.413 1.00 0.00 ATOM 94 CB ALA 14 0.446 9.807 11.265 1.00 0.00 ATOM 95 O ALA 14 -1.828 10.545 9.024 1.00 0.00 ATOM 96 C ALA 14 -1.420 10.977 10.109 1.00 0.00 ATOM 97 N LEU 15 -2.235 11.444 11.056 1.00 0.00 ATOM 98 CA LEU 15 -3.682 11.469 10.853 1.00 0.00 ATOM 99 CB LEU 15 -4.376 12.075 12.074 1.00 0.00 ATOM 100 CG LEU 15 -5.900 12.190 12.001 1.00 0.00 ATOM 101 CD1 LEU 15 -6.537 10.816 11.863 1.00 0.00 ATOM 102 CD2 LEU 15 -6.451 12.846 13.259 1.00 0.00 ATOM 103 O LEU 15 -4.790 11.937 8.757 1.00 0.00 ATOM 104 C LEU 15 -3.997 12.323 9.617 1.00 0.00 ATOM 105 N LYS 16 -3.348 13.478 9.520 1.00 0.00 ATOM 106 CA LYS 16 -3.577 14.368 8.393 1.00 0.00 ATOM 107 CB LYS 16 -2.852 15.699 8.607 1.00 0.00 ATOM 108 CG LYS 16 -3.454 16.566 9.701 1.00 0.00 ATOM 109 CD LYS 16 -2.689 17.870 9.856 1.00 0.00 ATOM 110 CE LYS 16 -3.269 18.721 10.974 1.00 0.00 ATOM 111 NZ LYS 16 -2.515 19.992 11.152 1.00 0.00 ATOM 112 O LYS 16 -3.752 13.806 6.099 1.00 0.00 ATOM 113 C LYS 16 -3.073 13.694 7.109 1.00 0.00 ATOM 114 N GLY 17 -1.913 12.903 7.149 1.00 0.00 ATOM 115 CA GLY 17 -1.373 12.187 5.954 1.00 0.00 ATOM 116 O GLY 17 -2.669 11.054 4.280 1.00 0.00 ATOM 117 C GLY 17 -2.311 11.085 5.458 1.00 0.00 ATOM 118 N PHE 18 -2.719 10.185 6.355 1.00 0.00 ATOM 119 CA PHE 18 -3.613 9.096 5.957 1.00 0.00 ATOM 120 CB PHE 18 -3.876 8.160 7.138 1.00 0.00 ATOM 121 CG PHE 18 -2.681 7.347 7.546 1.00 0.00 ATOM 122 CD1 PHE 18 -1.586 7.230 6.708 1.00 0.00 ATOM 123 CD2 PHE 18 -2.650 6.701 8.770 1.00 0.00 ATOM 124 CE1 PHE 18 -0.487 6.483 7.083 1.00 0.00 ATOM 125 CE2 PHE 18 -1.550 5.954 9.145 1.00 0.00 ATOM 126 CZ PHE 18 -0.470 5.843 8.307 1.00 0.00 ATOM 127 O PHE 18 -5.526 9.114 4.512 1.00 0.00 ATOM 128 C PHE 18 -4.955 9.632 5.476 1.00 0.00 ATOM 129 N VAL 19 -5.375 10.669 6.109 1.00 0.00 ATOM 130 CA VAL 19 -6.622 11.309 5.710 1.00 0.00 ATOM 131 CB VAL 19 -6.996 12.460 6.661 1.00 0.00 ATOM 132 CG1 VAL 19 -8.186 13.236 6.118 1.00 0.00 ATOM 133 CG2 VAL 19 -7.363 11.918 8.034 1.00 0.00 ATOM 134 O VAL 19 -7.320 11.623 3.437 1.00 0.00 ATOM 135 C VAL 19 -6.446 11.820 4.273 1.00 0.00 ATOM 136 N GLY 20 -5.310 12.429 3.989 1.00 0.00 ATOM 137 CA GLY 20 -5.017 12.923 2.651 1.00 0.00 ATOM 138 O GLY 20 -4.918 12.132 0.391 1.00 0.00 ATOM 139 C GLY 20 -4.799 11.857 1.584 1.00 0.00 ATOM 140 N PHE 21 -4.506 10.636 2.011 1.00 0.00 ATOM 141 CA PHE 21 -4.258 9.543 1.080 1.00 0.00 ATOM 142 CB PHE 21 -3.019 8.708 1.514 1.00 0.00 ATOM 143 CG PHE 21 -2.639 7.695 0.475 1.00 0.00 ATOM 144 CD1 PHE 21 -1.774 8.024 -0.562 1.00 0.00 ATOM 145 CD2 PHE 21 -3.160 6.417 0.528 1.00 0.00 ATOM 146 CE1 PHE 21 -1.440 7.057 -1.529 1.00 0.00 ATOM 147 CE2 PHE 21 -2.828 5.467 -0.426 1.00 0.00 ATOM 148 CZ PHE 21 -1.974 5.792 -1.445 1.00 0.00 ATOM 149 O PHE 21 -5.594 8.067 -0.198 1.00 0.00 ATOM 150 C PHE 21 -5.429 8.570 0.866 1.00 0.00 ATOM 151 N ASN 22 -6.171 8.212 1.895 1.00 0.00 ATOM 152 CA ASN 22 -7.302 7.336 1.763 1.00 0.00 ATOM 153 CB ASN 22 -8.290 7.904 3.029 1.00 0.00 ATOM 154 CG ASN 22 -9.380 7.110 3.695 1.00 0.00 ATOM 155 ND2 ASN 22 -9.247 5.863 4.096 1.00 0.00 ATOM 156 OD1 ASN 22 -10.447 7.743 3.867 1.00 0.00 ATOM 157 O ASN 22 -8.826 6.818 -0.037 1.00 0.00 ATOM 158 C ASN 22 -8.315 7.695 0.669 1.00 0.00 ATOM 159 N ARG 23 -8.229 9.089 0.738 1.00 0.00 ATOM 160 CA ARG 23 -9.140 9.701 -0.228 1.00 0.00 ATOM 161 CB ARG 23 -9.342 11.195 0.031 1.00 0.00 ATOM 162 CG ARG 23 -10.073 11.507 1.326 1.00 0.00 ATOM 163 CD ARG 23 -10.165 13.006 1.562 1.00 0.00 ATOM 164 NE ARG 23 -10.857 13.324 2.808 1.00 0.00 ATOM 165 CZ ARG 23 -10.960 14.547 3.315 1.00 0.00 ATOM 166 NH1 ARG 23 -11.610 14.741 4.455 1.00 0.00 ATOM 167 NH2 ARG 23 -10.414 15.576 2.681 1.00 0.00 ATOM 168 O ARG 23 -9.563 9.288 -2.557 1.00 0.00 ATOM 169 C ARG 23 -8.724 9.469 -1.678 1.00 0.00 ATOM 170 N LYS 24 -7.417 9.450 -1.919 1.00 0.00 ATOM 171 CA LYS 24 -6.892 9.272 -3.268 1.00 0.00 ATOM 172 CB LYS 24 -5.487 9.783 -3.418 1.00 0.00 ATOM 173 CG LYS 24 -5.322 11.283 -3.134 1.00 0.00 ATOM 174 CD LYS 24 -5.890 12.145 -4.257 1.00 0.00 ATOM 175 CE LYS 24 -5.833 13.636 -3.918 1.00 0.00 ATOM 176 NZ LYS 24 -6.621 14.477 -4.875 1.00 0.00 ATOM 177 O LYS 24 -7.027 7.436 -4.815 1.00 0.00 ATOM 178 C LYS 24 -6.698 7.815 -3.687 1.00 0.00 ATOM 179 N THR 25 -6.154 7.004 -2.784 1.00 0.00 ATOM 180 CA THR 25 -5.909 5.596 -3.073 1.00 0.00 ATOM 181 CB THR 25 -4.396 5.359 -3.163 1.00 0.00 ATOM 182 CG2 THR 25 -4.068 3.896 -3.386 1.00 0.00 ATOM 183 OG1 THR 25 -3.960 6.108 -4.300 1.00 0.00 ATOM 184 O THR 25 -6.236 5.122 -0.746 1.00 0.00 ATOM 185 C THR 25 -6.365 4.730 -1.904 1.00 0.00 ATOM 186 N GLY 26 -6.861 3.533 -2.202 1.00 0.00 ATOM 187 CA GLY 26 -7.345 2.653 -1.148 1.00 0.00 ATOM 188 O GLY 26 -6.253 1.465 0.648 1.00 0.00 ATOM 189 C GLY 26 -6.234 1.818 -0.545 1.00 0.00 ATOM 190 N ARG 27 -5.093 1.448 -1.455 1.00 0.00 ATOM 191 CA ARG 27 -4.003 0.562 -1.066 1.00 0.00 ATOM 192 CB ARG 27 -4.244 -0.847 -1.610 1.00 0.00 ATOM 193 CG ARG 27 -4.249 -0.934 -3.127 1.00 0.00 ATOM 194 CD ARG 27 -4.452 -2.365 -3.598 1.00 0.00 ATOM 195 NE ARG 27 -4.340 -2.484 -5.050 1.00 0.00 ATOM 196 CZ ARG 27 -4.420 -3.634 -5.713 1.00 0.00 ATOM 197 NH1 ARG 27 -4.305 -3.647 -7.034 1.00 0.00 ATOM 198 NH2 ARG 27 -4.616 -4.768 -5.054 1.00 0.00 ATOM 199 O ARG 27 -2.580 1.623 -2.680 1.00 0.00 ATOM 200 C ARG 27 -2.663 1.042 -1.601 1.00 0.00 ATOM 201 N TYR 28 -1.606 0.818 -0.837 1.00 0.00 ATOM 202 CA TYR 28 -0.293 1.249 -1.279 1.00 0.00 ATOM 203 CB TYR 28 -0.135 2.791 -1.161 1.00 0.00 ATOM 204 CG TYR 28 0.025 3.288 0.253 1.00 0.00 ATOM 205 CD1 TYR 28 -1.045 3.291 1.137 1.00 0.00 ATOM 206 CD2 TYR 28 1.273 3.739 0.722 1.00 0.00 ATOM 207 CE1 TYR 28 -0.859 3.729 2.443 1.00 0.00 ATOM 208 CE2 TYR 28 1.430 4.181 2.000 1.00 0.00 ATOM 209 CZ TYR 28 0.384 4.182 2.860 1.00 0.00 ATOM 210 OH TYR 28 0.575 4.627 4.153 1.00 0.00 ATOM 211 O TYR 28 0.525 -0.024 0.575 1.00 0.00 ATOM 212 C TYR 28 0.778 0.535 -0.494 1.00 0.00 ATOM 213 N ILE 29 1.987 0.561 -1.037 1.00 0.00 ATOM 214 CA ILE 29 3.104 -0.091 -0.393 1.00 0.00 ATOM 215 CB ILE 29 4.002 -0.829 -1.404 1.00 0.00 ATOM 216 CG1 ILE 29 3.217 -1.941 -2.102 1.00 0.00 ATOM 217 CG2 ILE 29 5.197 -1.453 -0.699 1.00 0.00 ATOM 218 CD1 ILE 29 3.946 -2.557 -3.277 1.00 0.00 ATOM 219 O ILE 29 4.275 1.994 -0.276 1.00 0.00 ATOM 220 C ILE 29 3.920 0.979 0.316 1.00 0.00 ATOM 221 N VAL 30 4.191 0.760 1.596 1.00 0.00 ATOM 222 CA VAL 30 4.994 1.693 2.361 1.00 0.00 ATOM 223 CB VAL 30 4.345 2.060 3.725 1.00 0.00 ATOM 224 CG1 VAL 30 3.103 2.805 3.501 1.00 0.00 ATOM 225 CG2 VAL 30 4.075 0.840 4.585 1.00 0.00 ATOM 226 O VAL 30 6.521 -0.114 2.820 1.00 0.00 ATOM 227 C VAL 30 6.364 1.032 2.361 1.00 0.00 ATOM 228 N ARG 31 7.325 1.734 1.735 1.00 0.00 ATOM 229 CA ARG 31 8.694 1.259 1.632 1.00 0.00 ATOM 230 CB ARG 31 9.344 1.681 0.313 1.00 0.00 ATOM 231 CG ARG 31 10.756 1.151 0.121 1.00 0.00 ATOM 232 CD ARG 31 11.333 1.589 -1.216 1.00 0.00 ATOM 233 NE ARG 31 12.683 1.072 -1.424 1.00 0.00 ATOM 234 CZ ARG 31 13.473 1.429 -2.433 1.00 0.00 ATOM 235 NH1 ARG 31 14.686 0.908 -2.543 1.00 0.00 ATOM 236 NH2 ARG 31 13.044 2.306 -3.331 1.00 0.00 ATOM 237 O ARG 31 9.588 3.097 2.884 1.00 0.00 ATOM 238 C ARG 31 9.439 1.874 2.800 1.00 0.00 ATOM 239 N PHE 32 9.903 1.016 3.700 1.00 0.00 ATOM 240 CA PHE 32 10.602 1.460 4.896 1.00 0.00 ATOM 241 CB PHE 32 9.929 0.906 6.153 1.00 0.00 ATOM 242 CG PHE 32 8.457 1.213 6.340 1.00 0.00 ATOM 243 CD1 PHE 32 7.873 2.340 5.797 1.00 0.00 ATOM 244 CD2 PHE 32 7.645 0.375 7.077 1.00 0.00 ATOM 245 CE1 PHE 32 6.555 2.632 6.044 1.00 0.00 ATOM 246 CE2 PHE 32 6.314 0.649 7.318 1.00 0.00 ATOM 247 CZ PHE 32 5.753 1.784 6.769 1.00 0.00 ATOM 248 O PHE 32 12.464 0.016 4.434 1.00 0.00 ATOM 249 C PHE 32 12.081 1.098 4.877 1.00 0.00 ATOM 250 N SER 33 12.916 2.014 5.348 1.00 0.00 ATOM 251 CA SER 33 14.346 1.771 5.412 1.00 0.00 ATOM 252 CB SER 33 15.010 2.120 4.079 1.00 0.00 ATOM 253 OG SER 33 14.973 3.515 3.841 1.00 0.00 ATOM 254 O SER 33 14.208 3.375 7.186 1.00 0.00 ATOM 255 C SER 33 14.926 2.621 6.534 1.00 0.00 ATOM 256 N GLU 34 16.215 2.496 6.736 1.00 0.00 ATOM 257 CA GLU 34 16.900 3.251 7.775 1.00 0.00 ATOM 258 CB GLU 34 18.397 2.937 7.753 1.00 0.00 ATOM 259 CG GLU 34 18.747 1.548 8.261 1.00 0.00 ATOM 260 CD GLU 34 20.226 1.237 8.137 1.00 0.00 ATOM 261 OE1 GLU 34 20.966 2.081 7.587 1.00 0.00 ATOM 262 OE2 GLU 34 20.645 0.151 8.589 1.00 0.00 ATOM 263 O GLU 34 16.798 5.509 8.547 1.00 0.00 ATOM 264 C GLU 34 16.748 4.755 7.578 1.00 0.00 ATOM 265 N ASP 35 16.576 5.189 6.267 1.00 0.00 ATOM 266 CA ASP 35 16.435 6.622 5.986 1.00 0.00 ATOM 267 CB ASP 35 16.768 6.917 4.522 1.00 0.00 ATOM 268 CG ASP 35 18.249 6.791 4.224 1.00 0.00 ATOM 269 OD1 ASP 35 19.045 6.737 5.185 1.00 0.00 ATOM 270 OD2 ASP 35 18.613 6.748 3.030 1.00 0.00 ATOM 271 O ASP 35 14.863 8.395 6.404 1.00 0.00 ATOM 272 C ASP 35 15.036 7.181 6.245 1.00 0.00 ATOM 273 N SER 36 14.036 6.306 6.279 1.00 0.00 ATOM 274 CA SER 36 12.686 6.771 6.534 1.00 0.00 ATOM 275 CB SER 36 12.570 8.205 5.923 1.00 0.00 ATOM 276 OG SER 36 12.722 8.083 4.525 1.00 0.00 ATOM 277 O SER 36 11.855 4.850 5.384 1.00 0.00 ATOM 278 C SER 36 11.637 5.996 5.771 1.00 0.00 ATOM 279 N PHE 37 10.491 6.631 5.578 1.00 0.00 ATOM 280 CA PHE 37 9.366 6.021 4.893 1.00 0.00 ATOM 281 CB PHE 37 8.081 6.126 5.696 1.00 0.00 ATOM 282 CG PHE 37 8.168 5.587 7.118 1.00 0.00 ATOM 283 CD1 PHE 37 7.769 6.372 8.213 1.00 0.00 ATOM 284 CD2 PHE 37 8.712 4.336 7.328 1.00 0.00 ATOM 285 CE1 PHE 37 7.882 5.852 9.521 1.00 0.00 ATOM 286 CE2 PHE 37 8.829 3.816 8.640 1.00 0.00 ATOM 287 CZ PHE 37 8.367 4.577 9.704 1.00 0.00 ATOM 288 O PHE 37 9.068 7.889 3.406 1.00 0.00 ATOM 289 C PHE 37 9.077 6.663 3.531 1.00 0.00 ATOM 290 N GLY 38 8.955 5.823 2.526 1.00 0.00 ATOM 291 CA GLY 38 8.632 6.313 1.186 1.00 0.00 ATOM 292 O GLY 38 7.321 4.358 0.734 1.00 0.00 ATOM 293 C GLY 38 7.404 5.582 0.667 1.00 0.00 ATOM 294 N MET 39 6.449 6.339 0.150 1.00 0.00 ATOM 295 CA MET 39 5.236 5.752 -0.390 1.00 0.00 ATOM 296 CB MET 39 4.266 5.583 0.837 1.00 0.00 ATOM 297 CG MET 39 3.880 6.948 1.422 1.00 0.00 ATOM 298 SD MET 39 2.588 6.927 2.687 1.00 0.00 ATOM 299 CE MET 39 1.125 6.669 1.654 1.00 0.00 ATOM 300 O MET 39 5.183 7.606 -1.908 1.00 0.00 ATOM 301 C MET 39 4.970 6.407 -1.737 1.00 0.00 ATOM 302 N ASP 40 4.524 5.608 -2.702 1.00 0.00 ATOM 303 CA ASP 40 4.241 6.120 -4.033 1.00 0.00 ATOM 304 CB ASP 40 5.473 6.008 -4.950 1.00 0.00 ATOM 305 CG ASP 40 5.255 6.646 -6.307 1.00 0.00 ATOM 306 OD1 ASP 40 4.106 6.585 -6.848 1.00 0.00 ATOM 307 OD2 ASP 40 6.186 7.243 -6.903 1.00 0.00 ATOM 308 O ASP 40 3.295 3.978 -4.538 1.00 0.00 ATOM 309 C ASP 40 3.193 5.203 -4.639 1.00 0.00 ATOM 310 N VAL 41 2.076 5.967 -5.052 1.00 0.00 ATOM 311 CA VAL 41 1.040 5.148 -5.656 1.00 0.00 ATOM 312 CB VAL 41 0.147 4.465 -4.567 1.00 0.00 ATOM 313 CG1 VAL 41 -0.900 3.581 -5.212 1.00 0.00 ATOM 314 CG2 VAL 41 0.982 3.664 -3.584 1.00 0.00 ATOM 315 O VAL 41 -0.225 7.100 -6.218 1.00 0.00 ATOM 316 C VAL 41 0.122 5.964 -6.539 1.00 0.00 ATOM 317 N ALA 42 -0.272 5.370 -7.657 1.00 0.00 ATOM 318 CA ALA 42 -1.181 6.021 -8.580 1.00 0.00 ATOM 319 CB ALA 42 -0.823 5.663 -10.014 1.00 0.00 ATOM 320 O ALA 42 -2.704 4.413 -7.716 1.00 0.00 ATOM 321 C ALA 42 -2.560 5.514 -8.254 1.00 0.00 ATOM 322 N ASP 43 -3.580 6.308 -8.559 1.00 0.00 ATOM 323 CA ASP 43 -4.936 5.864 -8.310 1.00 0.00 ATOM 324 CB ASP 43 -5.905 7.045 -8.382 1.00 0.00 ATOM 325 CG ASP 43 -6.031 7.610 -9.783 1.00 0.00 ATOM 326 OD1 ASP 43 -5.650 6.908 -10.744 1.00 0.00 ATOM 327 OD2 ASP 43 -6.512 8.755 -9.922 1.00 0.00 ATOM 328 O ASP 43 -4.515 4.549 -10.276 1.00 0.00 ATOM 329 C ASP 43 -5.285 4.789 -9.343 1.00 0.00 ATOM 330 N ASP 44 -6.502 4.059 -9.287 1.00 0.00 ATOM 331 CA ASP 44 -6.827 2.991 -10.241 1.00 0.00 ATOM 332 CB ASP 44 -8.206 2.408 -9.926 1.00 0.00 ATOM 333 CG ASP 44 -8.188 1.485 -8.726 1.00 0.00 ATOM 334 OD1 ASP 44 -7.083 1.119 -8.273 1.00 0.00 ATOM 335 OD2 ASP 44 -9.280 1.127 -8.234 1.00 0.00 ATOM 336 O ASP 44 -6.534 2.794 -12.619 1.00 0.00 ATOM 337 C ASP 44 -6.904 3.498 -11.681 1.00 0.00 ATOM 338 N SER 45 -7.380 4.721 -11.855 1.00 0.00 ATOM 339 CA SER 45 -7.519 5.299 -13.188 1.00 0.00 ATOM 340 CB SER 45 -8.542 6.437 -13.174 1.00 0.00 ATOM 341 OG SER 45 -8.077 7.530 -12.400 1.00 0.00 ATOM 342 O SER 45 -6.189 6.371 -14.869 1.00 0.00 ATOM 343 C SER 45 -6.220 5.879 -13.744 1.00 0.00 ATOM 344 N ILE 46 -5.114 5.754 -12.905 1.00 0.00 ATOM 345 CA ILE 46 -3.798 6.245 -13.298 1.00 0.00 ATOM 346 CB ILE 46 -3.101 5.020 -14.297 1.00 0.00 ATOM 347 CG1 ILE 46 -3.579 3.568 -14.080 1.00 0.00 ATOM 348 CG2 ILE 46 -1.560 5.096 -14.415 1.00 0.00 ATOM 349 CD1 ILE 46 -3.352 3.005 -12.681 1.00 0.00 ATOM 350 O ILE 46 -2.578 8.295 -13.483 1.00 0.00 ATOM 351 C ILE 46 -3.673 7.761 -13.441 1.00 0.00 ATOM 352 N THR 47 -4.886 8.408 -13.486 1.00 0.00 ATOM 353 CA THR 47 -4.937 9.860 -13.618 1.00 0.00 ATOM 354 CB THR 47 -6.393 10.346 -13.503 1.00 0.00 ATOM 355 CG2 THR 47 -6.492 11.821 -13.860 1.00 0.00 ATOM 356 OG1 THR 47 -7.223 9.595 -14.398 1.00 0.00 ATOM 357 O THR 47 -3.542 11.721 -13.027 1.00 0.00 ATOM 358 C THR 47 -4.075 10.679 -12.656 1.00 0.00 ATOM 359 N PRO 48 -4.014 10.283 -11.317 1.00 0.00 ATOM 360 CA PRO 48 -3.159 10.981 -10.351 1.00 0.00 ATOM 361 CB PRO 48 -4.172 11.646 -9.417 1.00 0.00 ATOM 362 CG PRO 48 -5.425 11.730 -10.216 1.00 0.00 ATOM 363 CD PRO 48 -5.429 10.427 -10.967 1.00 0.00 ATOM 364 O PRO 48 -2.437 8.838 -9.540 1.00 0.00 ATOM 365 C PRO 48 -2.208 10.041 -9.621 1.00 0.00 ATOM 366 N THR 49 -1.134 10.608 -9.088 1.00 0.00 ATOM 367 CA THR 49 -0.135 9.836 -8.367 1.00 0.00 ATOM 368 CB THR 49 1.118 9.626 -9.236 1.00 0.00 ATOM 369 CG2 THR 49 2.146 8.786 -8.493 1.00 0.00 ATOM 370 OG1 THR 49 0.756 8.949 -10.446 1.00 0.00 ATOM 371 O THR 49 0.357 11.843 -7.156 1.00 0.00 ATOM 372 C THR 49 0.247 10.613 -7.120 1.00 0.00 ATOM 373 N SER 50 0.408 9.905 -6.012 1.00 0.00 ATOM 374 CA SER 50 0.807 10.557 -4.780 1.00 0.00 ATOM 375 CB SER 50 -0.244 10.319 -3.694 1.00 0.00 ATOM 376 OG SER 50 -1.474 10.934 -4.033 1.00 0.00 ATOM 377 O SER 50 2.376 8.771 -4.474 1.00 0.00 ATOM 378 C SER 50 2.134 9.970 -4.332 1.00 0.00 ATOM 379 N GLU 51 2.998 10.829 -3.811 1.00 0.00 ATOM 380 CA GLU 51 4.311 10.419 -3.361 1.00 0.00 ATOM 381 CB GLU 51 5.382 10.915 -4.335 1.00 0.00 ATOM 382 CG GLU 51 6.798 10.507 -3.961 1.00 0.00 ATOM 383 CD GLU 51 7.822 10.956 -4.984 1.00 0.00 ATOM 384 OE1 GLU 51 7.438 11.665 -5.937 1.00 0.00 ATOM 385 OE2 GLU 51 9.010 10.600 -4.832 1.00 0.00 ATOM 386 O GLU 51 4.400 12.237 -1.810 1.00 0.00 ATOM 387 C GLU 51 4.520 11.026 -1.982 1.00 0.00 ATOM 388 N PHE 52 4.818 10.175 -1.004 1.00 0.00 ATOM 389 CA PHE 52 5.028 10.623 0.365 1.00 0.00 ATOM 390 CB PHE 52 4.047 9.939 1.318 1.00 0.00 ATOM 391 CG PHE 52 2.608 10.288 1.063 1.00 0.00 ATOM 392 CD1 PHE 52 1.829 9.508 0.226 1.00 0.00 ATOM 393 CD2 PHE 52 2.034 11.398 1.659 1.00 0.00 ATOM 394 CE1 PHE 52 0.506 9.831 -0.011 1.00 0.00 ATOM 395 CE2 PHE 52 0.712 11.721 1.423 1.00 0.00 ATOM 396 CZ PHE 52 -0.053 10.942 0.593 1.00 0.00 ATOM 397 O PHE 52 6.886 9.150 0.637 1.00 0.00 ATOM 398 C PHE 52 6.401 10.251 0.882 1.00 0.00 ATOM 399 N VAL 53 7.014 11.191 1.592 1.00 0.00 ATOM 400 CA VAL 53 8.312 10.942 2.203 1.00 0.00 ATOM 401 CB VAL 53 9.413 11.775 1.519 1.00 0.00 ATOM 402 CG1 VAL 53 10.739 11.603 2.243 1.00 0.00 ATOM 403 CG2 VAL 53 9.594 11.336 0.074 1.00 0.00 ATOM 404 O VAL 53 7.791 12.507 3.932 1.00 0.00 ATOM 405 C VAL 53 8.208 11.383 3.655 1.00 0.00 ATOM 406 N TRP 54 8.583 10.488 4.567 1.00 0.00 ATOM 407 CA TRP 54 8.597 10.768 5.998 1.00 0.00 ATOM 408 CB TRP 54 7.553 9.932 6.625 1.00 0.00 ATOM 409 CG TRP 54 6.396 10.887 6.761 1.00 0.00 ATOM 410 CD1 TRP 54 5.318 11.008 5.918 1.00 0.00 ATOM 411 CD2 TRP 54 6.212 11.883 7.784 1.00 0.00 ATOM 412 CE2 TRP 54 5.009 12.565 7.495 1.00 0.00 ATOM 413 CE3 TRP 54 6.953 12.265 8.913 1.00 0.00 ATOM 414 NE1 TRP 54 4.486 12.015 6.357 1.00 0.00 ATOM 415 CZ2 TRP 54 4.533 13.600 8.292 1.00 0.00 ATOM 416 CZ3 TRP 54 6.477 13.299 9.707 1.00 0.00 ATOM 417 CH2 TRP 54 5.277 13.956 9.391 1.00 0.00 ATOM 418 O TRP 54 10.114 9.089 6.860 1.00 0.00 ATOM 419 C TRP 54 9.946 10.271 6.552 1.00 0.00 ATOM 420 N SER 55 10.900 11.188 6.665 1.00 0.00 ATOM 421 CA SER 55 12.242 10.880 7.159 1.00 0.00 ATOM 422 CB SER 55 13.138 12.119 7.083 1.00 0.00 ATOM 423 OG SER 55 12.705 13.118 7.989 1.00 0.00 ATOM 424 O SER 55 11.479 10.849 9.436 1.00 0.00 ATOM 425 C SER 55 12.273 10.403 8.608 1.00 0.00 ATOM 426 N SER 56 13.194 9.491 8.906 1.00 0.00 ATOM 427 CA SER 56 13.333 8.961 10.255 1.00 0.00 ATOM 428 CB SER 56 14.425 7.924 10.278 1.00 0.00 ATOM 429 OG SER 56 15.649 8.451 9.773 1.00 0.00 ATOM 430 O SER 56 13.158 10.034 12.392 1.00 0.00 ATOM 431 C SER 56 13.589 10.098 11.241 1.00 0.00 ATOM 432 N VAL 57 14.317 11.140 10.815 1.00 0.00 ATOM 433 CA VAL 57 14.604 12.252 11.698 1.00 0.00 ATOM 434 CB VAL 57 15.786 13.089 11.116 1.00 0.00 ATOM 435 CG1 VAL 57 15.968 14.377 11.880 1.00 0.00 ATOM 436 CG2 VAL 57 17.043 12.220 11.122 1.00 0.00 ATOM 437 O VAL 57 12.985 13.521 12.978 1.00 0.00 ATOM 438 C VAL 57 13.279 13.036 11.873 1.00 0.00 ATOM 439 N ARG 58 12.356 13.316 10.576 1.00 0.00 ATOM 440 CA ARG 58 11.047 13.936 10.745 1.00 0.00 ATOM 441 CB ARG 58 10.015 13.936 9.615 1.00 0.00 ATOM 442 CG ARG 58 10.335 14.899 8.484 1.00 0.00 ATOM 443 CD ARG 58 9.301 14.807 7.372 1.00 0.00 ATOM 444 NE ARG 58 9.616 15.697 6.257 1.00 0.00 ATOM 445 CZ ARG 58 8.994 15.672 5.083 1.00 0.00 ATOM 446 NH1 ARG 58 9.348 16.521 4.127 1.00 0.00 ATOM 447 NH2 ARG 58 8.019 14.799 4.868 1.00 0.00 ATOM 448 O ARG 58 9.232 13.672 12.297 1.00 0.00 ATOM 449 C ARG 58 10.306 13.229 11.876 1.00 0.00 ATOM 450 N ASP 59 10.948 12.083 12.346 1.00 0.00 ATOM 451 CA ASP 59 10.269 11.257 13.342 1.00 0.00 ATOM 452 CB ASP 59 9.345 10.153 12.846 1.00 0.00 ATOM 453 CG ASP 59 8.260 10.672 11.905 1.00 0.00 ATOM 454 OD1 ASP 59 7.807 11.832 12.066 1.00 0.00 ATOM 455 OD2 ASP 59 7.870 9.906 11.005 1.00 0.00 ATOM 456 O ASP 59 12.302 11.462 14.592 1.00 0.00 ATOM 457 C ASP 59 11.077 11.357 14.631 1.00 0.00 ATOM 458 N ASP 60 10.376 11.326 15.765 1.00 0.00 ATOM 459 CA ASP 60 11.009 11.399 17.082 1.00 0.00 ATOM 460 CB ASP 60 9.957 11.306 18.189 1.00 0.00 ATOM 461 CG ASP 60 9.110 12.560 18.295 1.00 0.00 ATOM 462 OD1 ASP 60 9.485 13.582 17.682 1.00 0.00 ATOM 463 OD2 ASP 60 8.073 12.518 18.988 1.00 0.00 ATOM 464 O ASP 60 13.187 10.450 17.335 1.00 0.00 ATOM 465 C ASP 60 12.001 10.234 17.184 1.00 0.00 ATOM 466 N VAL 61 11.472 9.064 16.836 1.00 0.00 ATOM 467 CA VAL 61 12.311 7.856 16.912 1.00 0.00 ATOM 468 CB VAL 61 11.856 6.921 18.049 1.00 0.00 ATOM 469 CG1 VAL 61 12.670 5.638 18.042 1.00 0.00 ATOM 470 CG2 VAL 61 12.034 7.598 19.399 1.00 0.00 ATOM 471 O VAL 61 10.933 6.978 15.139 1.00 0.00 ATOM 472 C VAL 61 12.081 7.150 15.561 1.00 0.00 ATOM 473 N MET 62 13.168 6.777 14.905 1.00 0.00 ATOM 474 CA MET 62 13.115 5.965 13.667 1.00 0.00 ATOM 475 CB MET 62 13.397 6.932 12.516 1.00 0.00 ATOM 476 CG MET 62 13.320 6.297 11.138 1.00 0.00 ATOM 477 SD MET 62 11.675 5.665 10.754 1.00 0.00 ATOM 478 CE MET 62 10.752 7.192 10.604 1.00 0.00 ATOM 479 O MET 62 15.378 5.078 13.700 1.00 0.00 ATOM 480 C MET 62 14.133 4.840 13.626 1.00 0.00 ATOM 481 N ARG 63 13.599 3.628 13.467 1.00 0.00 ATOM 482 CA ARG 63 14.400 2.433 13.226 1.00 0.00 ATOM 483 CB ARG 63 14.398 1.630 14.528 1.00 0.00 ATOM 484 CG ARG 63 15.275 0.389 14.492 1.00 0.00 ATOM 485 CD ARG 63 15.270 -0.330 15.831 1.00 0.00 ATOM 486 NE ARG 63 16.086 -1.542 15.805 1.00 0.00 ATOM 487 CZ ARG 63 16.321 -2.306 16.866 1.00 0.00 ATOM 488 NH1 ARG 63 17.076 -3.390 16.747 1.00 0.00 ATOM 489 NH2 ARG 63 15.802 -1.985 18.044 1.00 0.00 ATOM 490 O ARG 63 12.772 0.917 12.386 1.00 0.00 ATOM 491 C ARG 63 13.859 1.461 12.205 1.00 0.00 ATOM 492 N LEU 64 14.641 1.234 11.135 1.00 0.00 ATOM 493 CA LEU 64 14.344 0.200 10.125 1.00 0.00 ATOM 494 CB LEU 64 13.845 0.837 8.900 1.00 0.00 ATOM 495 CG LEU 64 12.375 0.514 8.741 1.00 0.00 ATOM 496 CD1 LEU 64 12.175 -0.997 8.681 1.00 0.00 ATOM 497 CD2 LEU 64 11.524 1.092 9.869 1.00 0.00 ATOM 498 O LEU 64 16.404 -0.077 8.927 1.00 0.00 ATOM 499 C LEU 64 15.625 -0.529 9.769 1.00 0.00 ATOM 500 N GLY 65 15.838 -1.657 10.431 1.00 0.00 ATOM 501 CA GLY 65 17.033 -2.457 10.228 1.00 0.00 ATOM 502 O GLY 65 18.359 -2.846 8.305 1.00 0.00 ATOM 503 C GLY 65 17.227 -2.867 8.782 1.00 0.00 ATOM 504 N ARG 66 16.129 -3.444 8.156 1.00 0.00 ATOM 505 CA ARG 66 16.180 -3.914 6.778 1.00 0.00 ATOM 506 CB ARG 66 15.776 -5.372 6.647 1.00 0.00 ATOM 507 CG ARG 66 16.088 -5.899 5.252 1.00 0.00 ATOM 508 CD ARG 66 15.974 -7.394 5.174 1.00 0.00 ATOM 509 NE ARG 66 16.978 -8.082 5.982 1.00 0.00 ATOM 510 CZ ARG 66 18.266 -8.187 5.662 1.00 0.00 ATOM 511 NH1 ARG 66 18.733 -7.643 4.544 1.00 0.00 ATOM 512 NH2 ARG 66 19.084 -8.860 6.458 1.00 0.00 ATOM 513 O ARG 66 14.080 -2.782 6.507 1.00 0.00 ATOM 514 C ARG 66 15.085 -3.243 5.963 1.00 0.00 ATOM 515 N GLU 67 15.294 -3.183 4.653 1.00 0.00 ATOM 516 CA GLU 67 14.316 -2.589 3.755 1.00 0.00 ATOM 517 CB GLU 67 14.842 -2.584 2.318 1.00 0.00 ATOM 518 CG GLU 67 13.910 -1.916 1.318 1.00 0.00 ATOM 519 CD GLU 67 14.487 -1.883 -0.082 1.00 0.00 ATOM 520 OE1 GLU 67 15.616 -2.384 -0.273 1.00 0.00 ATOM 521 OE2 GLU 67 13.812 -1.355 -0.990 1.00 0.00 ATOM 522 O GLU 67 13.061 -4.641 3.626 1.00 0.00 ATOM 523 C GLU 67 13.042 -3.411 3.713 1.00 0.00 ATOM 524 N GLN 68 11.828 -2.709 3.913 1.00 0.00 ATOM 525 CA GLN 68 10.569 -3.444 3.875 1.00 0.00 ATOM 526 CB GLN 68 9.947 -3.438 5.254 1.00 0.00 ATOM 527 CG GLN 68 10.785 -4.100 6.263 1.00 0.00 ATOM 528 CD GLN 68 11.049 -5.525 5.983 1.00 0.00 ATOM 529 OE1 GLN 68 10.338 -6.197 5.231 1.00 0.00 ATOM 530 NE2 GLN 68 12.078 -6.033 6.636 1.00 0.00 ATOM 531 O GLN 68 9.660 -1.568 2.705 1.00 0.00 ATOM 532 C GLN 68 9.591 -2.774 2.921 1.00 0.00 ATOM 533 N LEU 69 8.682 -3.562 2.360 1.00 0.00 ATOM 534 CA LEU 69 7.659 -3.050 1.452 1.00 0.00 ATOM 535 CB LEU 69 7.939 -3.524 0.024 1.00 0.00 ATOM 536 CG LEU 69 9.247 -3.042 -0.605 1.00 0.00 ATOM 537 CD1 LEU 69 9.487 -3.733 -1.939 1.00 0.00 ATOM 538 CD2 LEU 69 9.206 -1.542 -0.846 1.00 0.00 ATOM 539 O LEU 69 6.205 -4.894 1.968 1.00 0.00 ATOM 540 C LEU 69 6.390 -3.679 2.050 1.00 0.00 ATOM 541 N GLN 70 5.606 -2.846 2.752 1.00 0.00 ATOM 542 CA GLN 70 4.412 -3.296 3.459 1.00 0.00 ATOM 543 CB GLN 70 4.220 -2.652 4.848 1.00 0.00 ATOM 544 CG GLN 70 3.018 -3.171 5.598 1.00 0.00 ATOM 545 CD GLN 70 2.960 -4.624 5.785 1.00 0.00 ATOM 546 OE1 GLN 70 3.936 -5.308 6.016 1.00 0.00 ATOM 547 NE2 GLN 70 1.749 -5.126 5.719 1.00 0.00 ATOM 548 O GLN 70 2.983 -1.758 2.305 1.00 0.00 ATOM 549 C GLN 70 3.203 -2.930 2.609 1.00 0.00 ATOM 550 N ILE 71 2.446 -4.016 2.142 1.00 0.00 ATOM 551 CA ILE 71 1.241 -3.758 1.377 1.00 0.00 ATOM 552 CB ILE 71 0.785 -5.009 0.602 1.00 0.00 ATOM 553 CG1 ILE 71 1.853 -5.426 -0.412 1.00 0.00 ATOM 554 CG2 ILE 71 -0.508 -4.730 -0.148 1.00 0.00 ATOM 555 CD1 ILE 71 1.595 -6.772 -1.050 1.00 0.00 ATOM 556 O ILE 71 -0.187 -4.146 3.250 1.00 0.00 ATOM 557 C ILE 71 0.170 -3.358 2.373 1.00 0.00 ATOM 558 N LEU 72 -0.378 -2.156 2.221 1.00 0.00 ATOM 559 CA LEU 72 -1.379 -1.665 3.154 1.00 0.00 ATOM 560 CB LEU 72 -0.892 -0.338 3.843 1.00 0.00 ATOM 561 CG LEU 72 0.353 -0.546 4.671 1.00 0.00 ATOM 562 CD1 LEU 72 0.840 0.819 5.228 1.00 0.00 ATOM 563 CD2 LEU 72 0.039 -1.556 5.797 1.00 0.00 ATOM 564 O LEU 72 -2.721 -0.687 1.448 1.00 0.00 ATOM 565 C LEU 72 -2.700 -1.263 2.530 1.00 0.00 ATOM 566 N LEU 73 -3.848 -1.575 3.302 1.00 0.00 ATOM 567 CA LEU 73 -5.154 -1.105 2.864 1.00 0.00 ATOM 568 CB LEU 73 -6.234 -2.065 3.365 1.00 0.00 ATOM 569 CG LEU 73 -6.158 -3.502 2.844 1.00 0.00 ATOM 570 CD1 LEU 73 -7.244 -4.360 3.473 1.00 0.00 ATOM 571 CD2 LEU 73 -6.337 -3.537 1.335 1.00 0.00 ATOM 572 O LEU 73 -5.501 0.361 4.733 1.00 0.00 ATOM 573 C LEU 73 -5.263 0.271 3.530 1.00 0.00 ATOM 574 N GLU 74 -5.085 1.330 2.743 1.00 0.00 ATOM 575 CA GLU 74 -5.132 2.696 3.250 1.00 0.00 ATOM 576 CB GLU 74 -4.807 3.692 2.134 1.00 0.00 ATOM 577 CG GLU 74 -4.739 5.138 2.595 1.00 0.00 ATOM 578 CD GLU 74 -3.589 5.392 3.550 1.00 0.00 ATOM 579 OE1 GLU 74 -2.741 4.490 3.710 1.00 0.00 ATOM 580 OE2 GLU 74 -3.537 6.492 4.139 1.00 0.00 ATOM 581 O GLU 74 -6.546 3.815 4.834 1.00 0.00 ATOM 582 C GLU 74 -6.484 3.063 3.862 1.00 0.00 ATOM 583 N GLN 75 -7.551 2.530 3.309 1.00 0.00 ATOM 584 CA GLN 75 -8.876 2.822 3.847 1.00 0.00 ATOM 585 CB GLN 75 -9.969 2.185 3.054 1.00 0.00 ATOM 586 CG GLN 75 -10.120 2.789 1.668 1.00 0.00 ATOM 587 CD GLN 75 -11.151 2.064 0.826 1.00 0.00 ATOM 588 OE1 GLN 75 -11.227 0.835 0.831 1.00 0.00 ATOM 589 NE2 GLN 75 -11.955 2.827 0.095 1.00 0.00 ATOM 590 O GLN 75 -9.337 3.039 6.192 1.00 0.00 ATOM 591 C GLN 75 -8.945 2.305 5.286 1.00 0.00 ATOM 592 N ASN 76 -8.572 0.937 5.463 1.00 0.00 ATOM 593 CA ASN 76 -8.585 0.354 6.805 1.00 0.00 ATOM 594 CB ASN 76 -8.165 -1.075 6.821 1.00 0.00 ATOM 595 CG ASN 76 -9.286 -1.963 6.303 1.00 0.00 ATOM 596 ND2 ASN 76 -8.955 -3.161 5.804 1.00 0.00 ATOM 597 OD1 ASN 76 -10.449 -1.574 6.371 1.00 0.00 ATOM 598 O ASN 76 -7.926 1.293 8.918 1.00 0.00 ATOM 599 C ASN 76 -7.629 1.094 7.739 1.00 0.00 ATOM 600 N ILE 77 -6.475 1.495 7.217 1.00 0.00 ATOM 601 CA ILE 77 -5.502 2.201 8.045 1.00 0.00 ATOM 602 CB ILE 77 -4.177 2.389 7.208 1.00 0.00 ATOM 603 CG1 ILE 77 -3.449 1.043 7.026 1.00 0.00 ATOM 604 CG2 ILE 77 -3.276 3.423 7.895 1.00 0.00 ATOM 605 CD1 ILE 77 -2.319 1.097 5.996 1.00 0.00 ATOM 606 O ILE 77 -5.930 3.891 9.694 1.00 0.00 ATOM 607 C ILE 77 -6.055 3.541 8.522 1.00 0.00 ATOM 608 N ASN 78 -6.636 4.491 7.567 1.00 0.00 ATOM 609 CA ASN 78 -7.204 5.767 7.983 1.00 0.00 ATOM 610 CB ASN 78 -7.811 6.501 6.786 1.00 0.00 ATOM 611 CG ASN 78 -8.284 7.898 7.138 1.00 0.00 ATOM 612 ND2 ASN 78 -9.586 8.128 7.015 1.00 0.00 ATOM 613 OD1 ASN 78 -7.487 8.757 7.512 1.00 0.00 ATOM 614 O ASN 78 -8.436 6.346 9.958 1.00 0.00 ATOM 615 C ASN 78 -8.305 5.557 9.026 1.00 0.00 ATOM 616 N GLU 79 -9.112 4.517 8.844 1.00 0.00 ATOM 617 CA GLU 79 -10.192 4.214 9.783 1.00 0.00 ATOM 618 CB GLU 79 -10.994 3.001 9.307 1.00 0.00 ATOM 619 CG GLU 79 -11.847 3.266 8.077 1.00 0.00 ATOM 620 CD GLU 79 -12.530 2.014 7.560 1.00 0.00 ATOM 621 OE1 GLU 79 -12.276 0.927 8.120 1.00 0.00 ATOM 622 OE2 GLU 79 -13.316 2.121 6.597 1.00 0.00 ATOM 623 O GLU 79 -10.082 4.441 12.159 1.00 0.00 ATOM 624 C GLU 79 -9.597 3.942 11.151 1.00 0.00 ATOM 625 N ARG 80 -8.525 3.163 11.175 1.00 0.00 ATOM 626 CA ARG 80 -7.854 2.835 12.421 1.00 0.00 ATOM 627 CB ARG 80 -6.761 1.763 12.180 1.00 0.00 ATOM 628 CG ARG 80 -7.310 0.397 11.696 1.00 0.00 ATOM 629 CD ARG 80 -7.863 -0.362 12.862 1.00 0.00 ATOM 630 NE ARG 80 -8.269 -1.720 12.612 1.00 0.00 ATOM 631 CZ ARG 80 -7.934 -2.936 12.627 1.00 0.00 ATOM 632 NH1 ARG 80 -8.924 -3.833 12.380 1.00 0.00 ATOM 633 NH2 ARG 80 -6.585 -3.160 12.862 1.00 0.00 ATOM 634 O ARG 80 -7.201 4.213 14.291 1.00 0.00 ATOM 635 C ARG 80 -7.218 4.077 13.062 1.00 0.00 ATOM 636 N LEU 81 -6.655 4.992 12.227 1.00 0.00 ATOM 637 CA LEU 81 -6.051 6.212 12.763 1.00 0.00 ATOM 638 CB LEU 81 -4.911 6.558 11.689 1.00 0.00 ATOM 639 CG LEU 81 -4.154 7.865 11.967 1.00 0.00 ATOM 640 CD1 LEU 81 -3.312 7.787 13.254 1.00 0.00 ATOM 641 CD2 LEU 81 -3.282 8.187 10.783 1.00 0.00 ATOM 642 O LEU 81 -6.832 7.940 14.226 1.00 0.00 ATOM 643 C LEU 81 -7.127 7.106 13.376 1.00 0.00 ATOM 644 N ASN 82 -8.435 6.878 12.957 1.00 0.00 ATOM 645 CA ASN 82 -9.507 7.701 13.500 1.00 0.00 ATOM 646 CB ASN 82 -10.815 7.337 12.793 1.00 0.00 ATOM 647 CG ASN 82 -10.854 7.823 11.357 1.00 0.00 ATOM 648 ND2 ASN 82 -11.721 7.218 10.554 1.00 0.00 ATOM 649 OD1 ASN 82 -10.115 8.731 10.978 1.00 0.00 ATOM 650 O ASN 82 -10.261 8.236 15.718 1.00 0.00 ATOM 651 C ASN 82 -9.650 7.443 14.998 1.00 0.00 ATOM 652 N ILE 83 -9.094 6.323 15.461 1.00 0.00 ATOM 653 CA ILE 83 -9.160 5.958 16.878 1.00 0.00 ATOM 654 CB ILE 83 -9.424 4.179 16.570 1.00 0.00 ATOM 655 CG1 ILE 83 -7.986 3.662 16.746 1.00 0.00 ATOM 656 CG2 ILE 83 -9.945 3.833 15.163 1.00 0.00 ATOM 657 CD1 ILE 83 -7.783 2.209 16.472 1.00 0.00 ATOM 658 O ILE 83 -7.941 6.423 18.892 1.00 0.00 ATOM 659 C ILE 83 -8.010 6.593 17.677 1.00 0.00 ATOM 660 N GLY 84 -7.149 7.399 16.925 1.00 0.00 ATOM 661 CA GLY 84 -6.108 8.192 17.568 1.00 0.00 ATOM 662 O GLY 84 -7.068 10.295 16.914 1.00 0.00 ATOM 663 C GLY 84 -6.488 9.653 17.791 1.00 0.00 ATOM 664 N GLU 85 -6.178 10.172 18.970 1.00 0.00 ATOM 665 CA GLU 85 -6.483 11.561 19.246 1.00 0.00 ATOM 666 CB GLU 85 -6.347 11.856 20.740 1.00 0.00 ATOM 667 CG GLU 85 -7.397 11.177 21.605 1.00 0.00 ATOM 668 CD GLU 85 -7.262 11.534 23.073 1.00 0.00 ATOM 669 OE1 GLU 85 -6.327 12.285 23.418 1.00 0.00 ATOM 670 OE2 GLU 85 -8.093 11.062 23.879 1.00 0.00 ATOM 671 O GLU 85 -4.401 11.957 18.166 1.00 0.00 ATOM 672 C GLU 85 -5.490 12.422 18.501 1.00 0.00 ATOM 673 N PRO 86 -5.842 13.680 18.260 1.00 0.00 ATOM 674 CA PRO 86 -4.947 14.579 17.547 1.00 0.00 ATOM 675 CB PRO 86 -5.810 15.813 17.277 1.00 0.00 ATOM 676 CG PRO 86 -6.809 15.821 18.386 1.00 0.00 ATOM 677 CD PRO 86 -7.114 14.378 18.682 1.00 0.00 ATOM 678 O PRO 86 -2.779 15.544 17.789 1.00 0.00 ATOM 679 C PRO 86 -3.703 14.953 18.333 1.00 0.00 ATOM 680 N LEU 87 -3.678 14.575 19.672 1.00 0.00 ATOM 681 CA LEU 87 -2.531 14.893 20.512 1.00 0.00 ATOM 682 CB LEU 87 -2.976 15.662 21.757 1.00 0.00 ATOM 683 CG LEU 87 -3.616 17.031 21.517 1.00 0.00 ATOM 684 CD1 LEU 87 -4.155 17.609 22.816 1.00 0.00 ATOM 685 CD2 LEU 87 -2.598 18.008 20.947 1.00 0.00 ATOM 686 O LEU 87 -0.822 13.643 21.593 1.00 0.00 ATOM 687 C LEU 87 -1.805 13.612 20.858 1.00 0.00 ATOM 688 N LEU 88 -2.265 12.492 20.344 1.00 0.00 ATOM 689 CA LEU 88 -1.622 11.207 20.644 1.00 0.00 ATOM 690 CB LEU 88 -2.491 10.050 20.055 1.00 0.00 ATOM 691 CG LEU 88 -3.884 9.980 20.655 1.00 0.00 ATOM 692 CD1 LEU 88 -4.639 8.921 20.048 1.00 0.00 ATOM 693 CD2 LEU 88 -3.915 9.788 22.169 1.00 0.00 ATOM 694 O LEU 88 0.069 11.548 18.966 1.00 0.00 ATOM 695 C LEU 88 -0.227 11.030 20.042 1.00 0.00 ATOM 696 N VAL 89 0.630 10.299 20.746 1.00 0.00 ATOM 697 CA VAL 89 1.940 9.977 20.210 1.00 0.00 ATOM 698 CB VAL 89 2.981 9.803 21.331 1.00 0.00 ATOM 699 CG1 VAL 89 4.325 9.393 20.750 1.00 0.00 ATOM 700 CG2 VAL 89 3.164 11.106 22.095 1.00 0.00 ATOM 701 O VAL 89 0.880 7.833 20.031 1.00 0.00 ATOM 702 C VAL 89 1.588 8.685 19.483 1.00 0.00 ATOM 703 N TYR 90 2.031 8.547 18.238 1.00 0.00 ATOM 704 CA TYR 90 1.706 7.349 17.482 1.00 0.00 ATOM 705 CB TYR 90 0.978 7.742 16.135 1.00 0.00 ATOM 706 CG TYR 90 0.779 6.696 15.035 1.00 0.00 ATOM 707 CD1 TYR 90 1.832 6.213 14.310 1.00 0.00 ATOM 708 CD2 TYR 90 -0.476 6.318 14.635 1.00 0.00 ATOM 709 CE1 TYR 90 1.654 5.276 13.293 1.00 0.00 ATOM 710 CE2 TYR 90 -0.678 5.411 13.619 1.00 0.00 ATOM 711 CZ TYR 90 0.391 4.864 12.964 1.00 0.00 ATOM 712 OH TYR 90 0.143 3.925 11.965 1.00 0.00 ATOM 713 O TYR 90 3.935 7.114 16.595 1.00 0.00 ATOM 714 C TYR 90 2.953 6.563 17.102 1.00 0.00 ATOM 715 N LEU 91 2.912 5.266 17.370 1.00 0.00 ATOM 716 CA LEU 91 4.030 4.404 17.050 1.00 0.00 ATOM 717 CB LEU 91 4.579 3.746 18.317 1.00 0.00 ATOM 718 CG LEU 91 5.728 2.755 18.122 1.00 0.00 ATOM 719 CD1 LEU 91 6.974 3.467 17.621 1.00 0.00 ATOM 720 CD2 LEU 91 6.068 2.062 19.432 1.00 0.00 ATOM 721 O LEU 91 2.582 2.643 16.306 1.00 0.00 ATOM 722 C LEU 91 3.598 3.299 16.093 1.00 0.00 ATOM 723 N ARG 92 4.371 3.125 15.025 1.00 0.00 ATOM 724 CA ARG 92 4.123 2.083 14.038 1.00 0.00 ATOM 725 CB ARG 92 3.675 2.254 12.826 1.00 0.00 ATOM 726 CG ARG 92 4.100 1.201 11.817 1.00 0.00 ATOM 727 CD ARG 92 3.751 1.671 10.413 1.00 0.00 ATOM 728 NE ARG 92 4.602 2.791 10.015 1.00 0.00 ATOM 729 CZ ARG 92 4.345 3.612 9.001 1.00 0.00 ATOM 730 NH1 ARG 92 3.250 3.450 8.272 1.00 0.00 ATOM 731 NH2 ARG 92 5.189 4.594 8.713 1.00 0.00 ATOM 732 O ARG 92 6.357 1.329 14.409 1.00 0.00 ATOM 733 C ARG 92 5.193 1.009 14.333 1.00 0.00 ATOM 734 N ARG 93 4.750 -0.197 14.436 1.00 0.00 ATOM 735 CA ARG 93 5.660 -1.300 14.749 1.00 0.00 ATOM 736 CB ARG 93 5.497 -1.692 16.219 1.00 0.00 ATOM 737 CG ARG 93 6.462 -2.770 16.684 1.00 0.00 ATOM 738 CD ARG 93 6.319 -3.032 18.175 1.00 0.00 ATOM 739 NE ARG 93 7.195 -4.109 18.627 1.00 0.00 ATOM 740 CZ ARG 93 7.378 -4.439 19.902 1.00 0.00 ATOM 741 NH1 ARG 93 8.195 -5.434 20.220 1.00 0.00 ATOM 742 NH2 ARG 93 6.745 -3.771 20.855 1.00 0.00 ATOM 743 O ARG 93 4.251 -2.928 13.695 1.00 0.00 ATOM 744 C ARG 93 5.401 -2.542 13.905 1.00 0.00 ATOM 745 N GLN 94 6.474 -3.172 13.438 1.00 0.00 ATOM 746 CA GLN 94 6.354 -4.384 12.641 1.00 0.00 ATOM 747 CB GLN 94 6.213 -4.028 11.159 1.00 0.00 ATOM 748 CG GLN 94 4.917 -3.312 10.812 1.00 0.00 ATOM 749 CD GLN 94 4.780 -3.043 9.327 1.00 0.00 ATOM 750 OE1 GLN 94 5.542 -3.572 8.518 1.00 0.00 ATOM 751 NE2 GLN 94 3.805 -2.218 8.965 1.00 0.00 ATOM 752 O GLN 94 8.693 -4.780 13.034 1.00 0.00 ATOM 753 C GLN 94 7.588 -5.271 12.809 1.00 0.00 ATOM 754 N ASP 95 7.381 -6.582 12.721 1.00 0.00 ATOM 755 CA ASP 95 8.462 -7.564 12.838 1.00 0.00 ATOM 756 CB ASP 95 7.908 -8.924 13.267 1.00 0.00 ATOM 757 CG ASP 95 7.484 -8.947 14.724 1.00 0.00 ATOM 758 OD1 ASP 95 7.847 -8.008 15.464 1.00 0.00 ATOM 759 OD2 ASP 95 6.789 -9.904 15.125 1.00 0.00 ATOM 760 O ASP 95 8.617 -7.249 10.462 1.00 0.00 ATOM 761 C ASP 95 9.147 -7.705 11.480 1.00 0.00 ATOM 762 N LEU 96 10.310 -8.349 11.466 1.00 0.00 ATOM 763 CA LEU 96 11.076 -8.533 10.236 1.00 0.00 ATOM 764 CB LEU 96 12.063 -9.582 10.261 1.00 0.00 ATOM 765 CG LEU 96 12.759 -9.808 8.915 1.00 0.00 ATOM 766 CD1 LEU 96 13.570 -8.569 8.530 1.00 0.00 ATOM 767 CD2 LEU 96 13.647 -11.033 8.974 1.00 0.00 ATOM 768 O LEU 96 9.948 -8.150 8.152 1.00 0.00 ATOM 769 C LEU 96 10.204 -8.953 9.048 1.00 0.00 ATOM 770 N PRO 97 9.739 -10.199 9.043 1.00 0.00 ATOM 771 CA PRO 97 8.893 -10.689 7.952 1.00 0.00 ATOM 772 CB PRO 97 9.276 -12.166 7.845 1.00 0.00 ATOM 773 CG PRO 97 9.487 -12.600 9.256 1.00 0.00 ATOM 774 CD PRO 97 10.108 -11.428 9.963 1.00 0.00 ATOM 775 O PRO 97 6.666 -11.417 8.474 1.00 0.00 ATOM 776 C PRO 97 7.444 -10.468 8.355 1.00 0.00 ATOM 777 N GLU 98 7.092 -9.203 8.562 1.00 0.00 ATOM 778 CA GLU 98 5.755 -8.819 9.005 1.00 0.00 ATOM 779 CB GLU 98 5.457 -7.752 9.727 1.00 0.00 ATOM 780 CG GLU 98 5.620 -8.120 11.185 1.00 0.00 ATOM 781 CD GLU 98 4.690 -9.201 11.698 1.00 0.00 ATOM 782 OE1 GLU 98 3.726 -9.586 11.015 1.00 0.00 ATOM 783 OE2 GLU 98 4.923 -9.661 12.851 1.00 0.00 ATOM 784 O GLU 98 4.646 -8.888 6.861 1.00 0.00 ATOM 785 C GLU 98 4.588 -9.113 8.075 1.00 0.00 ATOM 786 N ILE 99 3.588 -9.734 8.834 1.00 0.00 ATOM 787 CA ILE 99 2.369 -10.028 8.100 1.00 0.00 ATOM 788 CB ILE 99 2.023 -11.527 8.159 1.00 0.00 ATOM 789 CG1 ILE 99 1.790 -11.965 9.607 1.00 0.00 ATOM 790 CG2 ILE 99 3.157 -12.360 7.580 1.00 0.00 ATOM 791 CD1 ILE 99 1.176 -13.341 9.737 1.00 0.00 ATOM 792 O ILE 99 0.097 -9.294 8.442 1.00 0.00 ATOM 793 C ILE 99 1.278 -9.199 8.775 1.00 0.00 ATOM 794 N THR 100 1.697 -8.400 9.752 1.00 0.00 ATOM 795 CA THR 100 0.797 -7.528 10.489 1.00 0.00 ATOM 796 CB THR 100 0.463 -8.227 11.823 1.00 0.00 ATOM 797 CG2 THR 100 -0.457 -7.377 12.677 1.00 0.00 ATOM 798 OG1 THR 100 -0.159 -9.459 11.553 1.00 0.00 ATOM 799 O THR 100 2.754 -6.250 11.073 1.00 0.00 ATOM 800 C THR 100 1.530 -6.257 10.888 1.00 0.00 ATOM 801 N ALA 101 0.768 -5.175 10.981 1.00 0.00 ATOM 802 CA ALA 101 1.304 -3.885 11.383 1.00 0.00 ATOM 803 CB ALA 101 1.059 -2.849 10.298 1.00 0.00 ATOM 804 O ALA 101 -0.616 -3.453 12.758 1.00 0.00 ATOM 805 C ALA 101 0.609 -3.433 12.664 1.00 0.00 ATOM 806 N GLN 102 1.396 -3.057 13.663 1.00 0.00 ATOM 807 CA GLN 102 0.836 -2.577 14.921 1.00 0.00 ATOM 808 CB GLN 102 1.617 -3.159 16.102 1.00 0.00 ATOM 809 CG GLN 102 1.604 -4.677 16.168 1.00 0.00 ATOM 810 CD GLN 102 0.209 -5.239 16.368 1.00 0.00 ATOM 811 OE1 GLN 102 -0.497 -4.851 17.298 1.00 0.00 ATOM 812 NE2 GLN 102 -0.190 -6.157 15.497 1.00 0.00 ATOM 813 O GLN 102 1.931 -0.454 14.608 1.00 0.00 ATOM 814 C GLN 102 0.914 -1.054 14.978 1.00 0.00 ATOM 815 N ARG 103 -0.254 -0.436 15.424 1.00 0.00 ATOM 816 CA ARG 103 -0.262 1.007 15.597 1.00 0.00 ATOM 817 CB ARG 103 -1.321 1.650 14.698 1.00 0.00 ATOM 818 CG ARG 103 -1.059 1.477 13.211 1.00 0.00 ATOM 819 CD ARG 103 -2.233 1.976 12.382 1.00 0.00 ATOM 820 NE ARG 103 -1.935 1.967 10.952 1.00 0.00 ATOM 821 CZ ARG 103 -2.091 0.909 10.163 1.00 0.00 ATOM 822 NH1 ARG 103 -1.793 0.996 8.873 1.00 0.00 ATOM 823 NH2 ARG 103 -2.541 -0.232 10.665 1.00 0.00 ATOM 824 O ARG 103 -1.615 0.805 17.560 1.00 0.00 ATOM 825 C ARG 103 -0.587 1.260 17.059 1.00 0.00 ATOM 826 N GLN 104 0.299 1.962 17.756 1.00 0.00 ATOM 827 CA GLN 104 0.083 2.248 19.174 1.00 0.00 ATOM 828 CB GLN 104 1.300 1.812 19.994 1.00 0.00 ATOM 829 CG GLN 104 1.543 0.312 19.990 1.00 0.00 ATOM 830 CD GLN 104 2.803 -0.075 20.741 1.00 0.00 ATOM 831 OE1 GLN 104 3.449 0.768 21.366 1.00 0.00 ATOM 832 NE2 GLN 104 3.156 -1.353 20.683 1.00 0.00 ATOM 833 O GLN 104 0.682 4.546 18.952 1.00 0.00 ATOM 834 C GLN 104 -0.135 3.740 19.382 1.00 0.00 ATOM 835 N LEU 105 -1.235 4.099 20.036 1.00 0.00 ATOM 836 CA LEU 105 -1.550 5.500 20.292 1.00 0.00 ATOM 837 CB LEU 105 -2.956 5.833 19.789 1.00 0.00 ATOM 838 CG LEU 105 -3.209 5.626 18.294 1.00 0.00 ATOM 839 CD1 LEU 105 -4.660 5.926 17.947 1.00 0.00 ATOM 840 CD2 LEU 105 -2.322 6.545 17.467 1.00 0.00 ATOM 841 O LEU 105 -2.214 5.185 22.571 1.00 0.00 ATOM 842 C LEU 105 -1.495 5.793 21.785 1.00 0.00 ATOM 843 N ARG 106 -0.611 6.701 22.173 1.00 0.00 ATOM 844 CA ARG 106 -0.465 7.073 23.577 1.00 0.00 ATOM 845 CB ARG 106 1.015 7.178 23.946 1.00 0.00 ATOM 846 CG ARG 106 1.787 5.877 23.795 1.00 0.00 ATOM 847 CD ARG 106 3.256 6.063 24.138 1.00 0.00 ATOM 848 NE ARG 106 3.996 4.805 24.074 1.00 0.00 ATOM 849 CZ ARG 106 5.312 4.705 24.228 1.00 0.00 ATOM 850 NH1 ARG 106 5.899 3.518 24.153 1.00 0.00 ATOM 851 NH2 ARG 106 6.038 5.790 24.455 1.00 0.00 ATOM 852 O ARG 106 -0.689 9.446 23.316 1.00 0.00 ATOM 853 C ARG 106 -1.134 8.416 23.828 1.00 0.00 TER END