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 5 Wed Jul 12 20:53:07 2006 MODEL 5 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 7.668 3.980 -1.141 1.00 0.00 ATOM 2 CA MET 1 6.201 3.758 -1.144 1.00 0.00 ATOM 3 CB MET 1 5.659 3.906 0.280 1.00 0.00 ATOM 4 CG MET 1 4.209 3.493 0.457 1.00 0.00 ATOM 5 SD MET 1 3.790 3.208 2.197 1.00 0.00 ATOM 6 CE MET 1 3.684 4.844 2.775 1.00 0.00 ATOM 7 O MET 1 5.823 5.959 -1.983 1.00 0.00 ATOM 8 C MET 1 5.484 4.774 -2.008 1.00 0.00 ATOM 9 N SER 2 4.525 4.318 -2.797 1.00 0.00 ATOM 10 CA SER 2 3.779 5.207 -3.684 1.00 0.00 ATOM 11 CB SER 2 2.718 4.412 -4.451 1.00 0.00 ATOM 12 OG SER 2 1.820 3.767 -3.566 1.00 0.00 ATOM 13 O SER 2 2.797 7.392 -3.557 1.00 0.00 ATOM 14 C SER 2 3.114 6.369 -2.952 1.00 0.00 ATOM 15 N ILE 3 2.903 6.209 -1.649 1.00 0.00 ATOM 16 CA ILE 3 2.272 7.248 -0.844 1.00 0.00 ATOM 17 CB ILE 3 1.015 6.722 -0.125 1.00 0.00 ATOM 18 CG1 ILE 3 0.006 6.182 -1.144 1.00 0.00 ATOM 19 CG2 ILE 3 0.389 7.817 0.722 1.00 0.00 ATOM 20 CD1 ILE 3 -1.173 5.475 -0.517 1.00 0.00 ATOM 21 O ILE 3 3.342 7.296 1.305 1.00 0.00 ATOM 22 C ILE 3 3.226 7.822 0.199 1.00 0.00 ATOM 23 N THR 4 3.895 8.915 -0.175 1.00 0.00 ATOM 24 CA THR 4 4.937 9.477 0.697 1.00 0.00 ATOM 25 CB THR 4 5.884 10.387 -0.089 1.00 0.00 ATOM 26 CG2 THR 4 6.612 9.594 -1.199 1.00 0.00 ATOM 27 OG1 THR 4 5.120 11.446 -0.673 1.00 0.00 ATOM 28 O THR 4 3.031 10.534 1.692 1.00 0.00 ATOM 29 C THR 4 4.245 10.361 1.739 1.00 0.00 ATOM 30 N SER 5 5.020 10.902 2.684 1.00 0.00 ATOM 31 CA SER 5 4.430 11.757 3.715 1.00 0.00 ATOM 32 CB SER 5 5.392 12.145 4.789 1.00 0.00 ATOM 33 OG SER 5 6.536 12.837 4.312 1.00 0.00 ATOM 34 O SER 5 2.742 13.441 3.428 1.00 0.00 ATOM 35 C SER 5 3.831 12.995 3.045 1.00 0.00 ATOM 36 N THR 6 4.504 13.547 2.034 1.00 0.00 ATOM 37 CA THR 6 3.954 14.716 1.346 1.00 0.00 ATOM 38 CB THR 6 5.064 15.233 0.343 1.00 0.00 ATOM 39 CG2 THR 6 4.507 16.381 -0.468 1.00 0.00 ATOM 40 OG1 THR 6 6.184 15.682 1.106 1.00 0.00 ATOM 41 O THR 6 1.705 15.130 0.633 1.00 0.00 ATOM 42 C THR 6 2.654 14.346 0.646 1.00 0.00 ATOM 43 N ASP 7 2.578 13.108 0.046 1.00 0.00 ATOM 44 CA ASP 7 1.374 12.654 -0.638 1.00 0.00 ATOM 45 CB ASP 7 1.535 11.225 -1.173 1.00 0.00 ATOM 46 CG ASP 7 2.418 11.155 -2.373 1.00 0.00 ATOM 47 OD1 ASP 7 2.971 10.060 -2.657 1.00 0.00 ATOM 48 OD2 ASP 7 2.519 12.205 -3.029 1.00 0.00 ATOM 49 O ASP 7 -0.949 12.950 0.034 1.00 0.00 ATOM 50 C ASP 7 0.203 12.582 0.373 1.00 0.00 ATOM 51 N ILE 8 0.488 12.062 1.574 1.00 0.00 ATOM 52 CA ILE 8 -0.526 11.930 2.628 1.00 0.00 ATOM 53 CB ILE 8 -0.232 11.190 3.821 1.00 0.00 ATOM 54 CG1 ILE 8 1.040 11.584 4.474 1.00 0.00 ATOM 55 CG2 ILE 8 -0.182 9.720 3.429 1.00 0.00 ATOM 56 CD1 ILE 8 1.171 10.777 5.789 1.00 0.00 ATOM 57 O ILE 8 -2.129 13.580 3.372 1.00 0.00 ATOM 58 C ILE 8 -0.954 13.330 3.088 1.00 0.00 ATOM 59 N CYS 9 -0.000 14.251 3.165 1.00 0.00 ATOM 60 CA CYS 9 -0.324 15.610 3.578 1.00 0.00 ATOM 61 CB CYS 9 0.939 16.446 3.713 1.00 0.00 ATOM 62 SG CYS 9 1.952 16.058 5.161 1.00 0.00 ATOM 63 O CYS 9 -2.175 16.998 2.938 1.00 0.00 ATOM 64 C CYS 9 -1.240 16.289 2.567 1.00 0.00 ATOM 65 N GLN 10 -0.971 16.076 1.290 1.00 0.00 ATOM 66 CA GLN 10 -1.810 16.702 0.275 1.00 0.00 ATOM 67 CB GLN 10 -1.178 16.474 -1.134 1.00 0.00 ATOM 68 CG GLN 10 0.154 17.178 -1.331 1.00 0.00 ATOM 69 CD GLN 10 0.726 16.967 -2.722 1.00 0.00 ATOM 70 OE1 GLN 10 0.179 17.457 -3.713 1.00 0.00 ATOM 71 NE2 GLN 10 1.828 16.226 -2.801 1.00 0.00 ATOM 72 O GLN 10 -4.185 16.988 0.206 1.00 0.00 ATOM 73 C GLN 10 -3.247 16.201 0.324 1.00 0.00 ATOM 74 N ALA 11 -3.445 14.892 0.541 1.00 0.00 ATOM 75 CA ALA 11 -4.783 14.317 0.624 1.00 0.00 ATOM 76 CB ALA 11 -4.757 12.806 0.741 1.00 0.00 ATOM 77 O ALA 11 -6.664 15.309 1.775 1.00 0.00 ATOM 78 C ALA 11 -5.474 14.935 1.846 1.00 0.00 ATOM 79 N ALA 12 -4.757 15.039 2.964 1.00 0.00 ATOM 80 CA ALA 12 -5.343 15.650 4.174 1.00 0.00 ATOM 81 CB ALA 12 -4.406 15.472 5.409 1.00 0.00 ATOM 82 O ALA 12 -6.731 17.611 4.395 1.00 0.00 ATOM 83 C ALA 12 -5.679 17.127 3.954 1.00 0.00 ATOM 84 N ASP 13 -4.788 17.870 3.255 1.00 0.00 ATOM 85 CA ASP 13 -5.039 19.270 2.933 1.00 0.00 ATOM 86 CB ASP 13 -3.938 19.854 2.087 1.00 0.00 ATOM 87 CG ASP 13 -2.658 20.059 2.869 1.00 0.00 ATOM 88 OD1 ASP 13 -2.653 19.879 4.111 1.00 0.00 ATOM 89 OD2 ASP 13 -1.638 20.364 2.218 1.00 0.00 ATOM 90 O ASP 13 -7.089 20.385 2.396 1.00 0.00 ATOM 91 C ASP 13 -6.346 19.429 2.171 1.00 0.00 ATOM 92 N ALA 14 -6.662 18.516 1.291 1.00 0.00 ATOM 93 CA ALA 14 -7.868 18.600 0.482 1.00 0.00 ATOM 94 CB ALA 14 -7.489 18.437 -0.982 1.00 0.00 ATOM 95 O ALA 14 -10.020 17.544 0.333 1.00 0.00 ATOM 96 C ALA 14 -8.916 17.566 0.880 1.00 0.00 ATOM 97 N LEU 15 -8.565 16.713 1.835 1.00 0.00 ATOM 98 CA LEU 15 -9.413 15.585 2.205 1.00 0.00 ATOM 99 CB LEU 15 -8.824 14.296 1.659 1.00 0.00 ATOM 100 CG LEU 15 -8.768 14.170 0.130 1.00 0.00 ATOM 101 CD1 LEU 15 -8.040 12.864 -0.260 1.00 0.00 ATOM 102 CD2 LEU 15 -10.142 14.187 -0.450 1.00 0.00 ATOM 103 O LEU 15 -8.551 15.657 4.444 1.00 0.00 ATOM 104 C LEU 15 -9.523 15.441 3.719 1.00 0.00 ATOM 105 N LYS 16 -10.703 15.047 4.187 1.00 0.00 ATOM 106 CA LYS 16 -10.915 14.783 5.605 1.00 0.00 ATOM 107 CB LYS 16 -12.389 14.556 5.906 1.00 0.00 ATOM 108 CG LYS 16 -12.931 13.193 5.505 1.00 0.00 ATOM 109 CD LYS 16 -12.962 13.008 4.000 1.00 0.00 ATOM 110 CE LYS 16 -13.475 11.609 3.623 1.00 0.00 ATOM 111 NZ LYS 16 -14.838 11.315 4.173 1.00 0.00 ATOM 112 O LYS 16 -9.714 13.571 7.293 1.00 0.00 ATOM 113 C LYS 16 -10.022 13.652 6.105 1.00 0.00 ATOM 114 N GLY 17 -9.646 12.756 5.197 1.00 0.00 ATOM 115 CA GLY 17 -8.767 11.643 5.538 1.00 0.00 ATOM 116 O GLY 17 -6.959 13.157 5.143 1.00 0.00 ATOM 117 C GLY 17 -7.344 12.133 5.705 1.00 0.00 ATOM 118 N PHE 18 -6.574 11.483 6.530 1.00 0.00 ATOM 119 CA PHE 18 -5.169 11.795 6.760 1.00 0.00 ATOM 120 CB PHE 18 -4.919 12.436 8.127 1.00 0.00 ATOM 121 CG PHE 18 -3.466 12.558 8.482 1.00 0.00 ATOM 122 CD1 PHE 18 -2.679 13.551 7.919 1.00 0.00 ATOM 123 CD2 PHE 18 -2.880 11.679 9.382 1.00 0.00 ATOM 124 CE1 PHE 18 -1.341 13.663 8.244 1.00 0.00 ATOM 125 CE2 PHE 18 -1.543 11.790 9.711 1.00 0.00 ATOM 126 CZ PHE 18 -0.773 12.784 9.142 1.00 0.00 ATOM 127 O PHE 18 -4.625 9.497 7.194 1.00 0.00 ATOM 128 C PHE 18 -4.327 10.534 6.600 1.00 0.00 ATOM 129 N VAL 19 -3.231 10.650 5.860 1.00 0.00 ATOM 130 CA VAL 19 -2.367 9.508 5.582 1.00 0.00 ATOM 131 CB VAL 19 -2.019 9.426 4.070 1.00 0.00 ATOM 132 CG1 VAL 19 -1.244 8.169 3.755 1.00 0.00 ATOM 133 CG2 VAL 19 -3.277 9.487 3.233 1.00 0.00 ATOM 134 O VAL 19 -0.517 10.643 6.609 1.00 0.00 ATOM 135 C VAL 19 -1.101 9.574 6.429 1.00 0.00 ATOM 136 N GLY 20 -0.681 8.424 6.947 1.00 0.00 ATOM 137 CA GLY 20 0.538 8.342 7.741 1.00 0.00 ATOM 138 O GLY 20 1.180 6.633 6.183 1.00 0.00 ATOM 139 C GLY 20 1.504 7.318 7.153 1.00 0.00 ATOM 140 N PHE 21 2.687 7.216 7.750 1.00 0.00 ATOM 141 CA PHE 21 3.692 6.261 7.299 1.00 0.00 ATOM 142 CB PHE 21 4.736 6.950 6.419 1.00 0.00 ATOM 143 CG PHE 21 5.504 8.034 7.122 1.00 0.00 ATOM 144 CD1 PHE 21 6.703 7.752 7.759 1.00 0.00 ATOM 145 CD2 PHE 21 5.026 9.335 7.149 1.00 0.00 ATOM 146 CE1 PHE 21 7.409 8.748 8.407 1.00 0.00 ATOM 147 CE2 PHE 21 5.731 10.333 7.793 1.00 0.00 ATOM 148 CZ PHE 21 6.923 10.039 8.424 1.00 0.00 ATOM 149 O PHE 21 4.664 6.222 9.494 1.00 0.00 ATOM 150 C PHE 21 4.363 5.580 8.487 1.00 0.00 ATOM 151 N ASN 22 4.596 4.277 8.362 1.00 0.00 ATOM 152 CA ASN 22 5.250 3.512 9.417 1.00 0.00 ATOM 153 CB ASN 22 4.404 2.276 9.830 1.00 0.00 ATOM 154 CG ASN 22 5.001 1.487 10.989 1.00 0.00 ATOM 155 ND2 ASN 22 4.161 0.745 11.702 1.00 0.00 ATOM 156 OD1 ASN 22 6.209 1.537 11.225 1.00 0.00 ATOM 157 O ASN 22 6.820 2.325 8.049 1.00 0.00 ATOM 158 C ASN 22 6.655 3.124 8.969 1.00 0.00 ATOM 159 N ARG 23 7.655 3.796 9.531 1.00 0.00 ATOM 160 CA ARG 23 9.044 3.564 9.151 1.00 0.00 ATOM 161 CB ARG 23 9.990 4.591 9.755 1.00 0.00 ATOM 162 CG ARG 23 9.880 5.987 9.163 1.00 0.00 ATOM 163 CD ARG 23 10.720 7.007 9.841 1.00 0.00 ATOM 164 NE ARG 23 12.152 6.779 9.730 1.00 0.00 ATOM 165 CZ ARG 23 13.090 7.440 10.435 1.00 0.00 ATOM 166 NH1 ARG 23 12.755 8.397 11.275 1.00 0.00 ATOM 167 NH2 ARG 23 14.357 7.120 10.244 1.00 0.00 ATOM 168 O ARG 23 10.272 1.526 8.825 1.00 0.00 ATOM 169 C ARG 23 9.449 2.137 9.508 1.00 0.00 ATOM 170 N LYS 24 8.867 1.613 10.582 1.00 0.00 ATOM 171 CA LYS 24 9.188 0.268 11.047 1.00 0.00 ATOM 172 CB LYS 24 8.513 -0.006 12.392 1.00 0.00 ATOM 173 CG LYS 24 9.069 0.806 13.552 1.00 0.00 ATOM 174 CD LYS 24 8.359 0.471 14.855 1.00 0.00 ATOM 175 CE LYS 24 8.865 1.334 16.002 1.00 0.00 ATOM 176 NZ LYS 24 8.176 1.017 17.283 1.00 0.00 ATOM 177 O LYS 24 9.625 -1.347 9.322 1.00 0.00 ATOM 178 C LYS 24 8.778 -0.717 9.959 1.00 0.00 ATOM 179 N THR 25 7.492 -0.834 9.710 1.00 0.00 ATOM 180 CA THR 25 6.973 -1.738 8.694 1.00 0.00 ATOM 181 CB THR 25 5.445 -1.403 8.402 1.00 0.00 ATOM 182 CG2 THR 25 4.685 -2.663 7.912 1.00 0.00 ATOM 183 OG1 THR 25 4.800 -0.972 9.616 1.00 0.00 ATOM 184 O THR 25 7.705 -2.047 6.429 1.00 0.00 ATOM 185 C THR 25 7.402 -1.247 7.315 1.00 0.00 ATOM 186 N GLY 26 7.363 0.068 7.121 1.00 0.00 ATOM 187 CA GLY 26 7.707 0.662 5.836 1.00 0.00 ATOM 188 O GLY 26 6.447 0.277 3.828 1.00 0.00 ATOM 189 C GLY 26 6.429 0.644 5.003 1.00 0.00 ATOM 190 N ARG 27 5.314 1.153 5.697 1.00 0.00 ATOM 191 CA ARG 27 4.024 1.064 5.025 1.00 0.00 ATOM 192 CB ARG 27 3.317 -0.253 5.310 1.00 0.00 ATOM 193 CG ARG 27 3.920 -1.465 4.620 1.00 0.00 ATOM 194 CD ARG 27 3.851 -1.424 3.136 1.00 0.00 ATOM 195 NE ARG 27 4.756 -0.469 2.516 1.00 0.00 ATOM 196 CZ ARG 27 4.774 -0.174 1.202 1.00 0.00 ATOM 197 NH1 ARG 27 3.968 -0.781 0.360 1.00 0.00 ATOM 198 NH2 ARG 27 5.643 0.726 0.777 1.00 0.00 ATOM 199 O ARG 27 3.184 2.775 6.484 1.00 0.00 ATOM 200 C ARG 27 3.135 2.254 5.370 1.00 0.00 ATOM 201 N TYR 28 2.326 2.680 4.406 1.00 0.00 ATOM 202 CA TYR 28 1.410 3.795 4.614 1.00 0.00 ATOM 203 CB TYR 28 0.950 4.366 3.270 1.00 0.00 ATOM 204 CG TYR 28 -0.010 3.471 2.518 1.00 0.00 ATOM 205 CD1 TYR 28 -1.320 3.315 2.945 1.00 0.00 ATOM 206 CD2 TYR 28 0.398 2.786 1.383 1.00 0.00 ATOM 207 CE1 TYR 28 -2.201 2.498 2.262 1.00 0.00 ATOM 208 CE2 TYR 28 -0.473 1.966 0.693 1.00 0.00 ATOM 209 CZ TYR 28 -1.773 1.825 1.135 1.00 0.00 ATOM 210 OH TYR 28 -2.646 1.012 0.451 1.00 0.00 ATOM 211 O TYR 28 -0.192 2.208 5.435 1.00 0.00 ATOM 212 C TYR 28 0.204 3.373 5.446 1.00 0.00 ATOM 213 N ILE 29 -0.366 4.335 6.164 1.00 0.00 ATOM 214 CA ILE 29 -1.542 4.054 6.977 1.00 0.00 ATOM 215 CB ILE 29 -1.277 4.425 8.456 1.00 0.00 ATOM 216 CG1 ILE 29 -0.313 3.384 9.053 1.00 0.00 ATOM 217 CG2 ILE 29 -2.581 4.515 9.271 1.00 0.00 ATOM 218 CD1 ILE 29 0.337 3.773 10.365 1.00 0.00 ATOM 219 O ILE 29 -2.436 6.240 6.414 1.00 0.00 ATOM 220 C ILE 29 -2.668 5.043 6.623 1.00 0.00 ATOM 221 N VAL 30 -3.862 4.519 6.544 1.00 0.00 ATOM 222 CA VAL 30 -5.029 5.320 6.190 1.00 0.00 ATOM 223 CB VAL 30 -5.790 4.883 4.926 1.00 0.00 ATOM 224 CG1 VAL 30 -7.014 5.760 4.710 1.00 0.00 ATOM 225 CG2 VAL 30 -4.879 4.932 3.709 1.00 0.00 ATOM 226 O VAL 30 -6.335 4.238 7.933 1.00 0.00 ATOM 227 C VAL 30 -6.033 5.291 7.352 1.00 0.00 ATOM 228 N ARG 31 -6.561 6.456 7.629 1.00 0.00 ATOM 229 CA ARG 31 -7.650 6.628 8.605 1.00 0.00 ATOM 230 CB ARG 31 -7.425 7.731 9.628 1.00 0.00 ATOM 231 CG ARG 31 -8.538 7.893 10.649 1.00 0.00 ATOM 232 CD ARG 31 -8.234 8.856 11.740 1.00 0.00 ATOM 233 NE ARG 31 -9.310 9.036 12.702 1.00 0.00 ATOM 234 CZ ARG 31 -10.243 10.007 12.632 1.00 0.00 ATOM 235 NH1 ARG 31 -10.214 10.908 11.674 1.00 0.00 ATOM 236 NH2 ARG 31 -11.174 10.045 13.569 1.00 0.00 ATOM 237 O ARG 31 -9.164 7.784 7.145 1.00 0.00 ATOM 238 C ARG 31 -8.983 6.822 7.890 1.00 0.00 ATOM 239 N PHE 32 -9.914 5.902 8.123 1.00 0.00 ATOM 240 CA PHE 32 -11.277 6.048 7.628 1.00 0.00 ATOM 241 CB PHE 32 -11.722 4.761 6.931 1.00 0.00 ATOM 242 CG PHE 32 -10.949 4.451 5.681 1.00 0.00 ATOM 243 CD1 PHE 32 -9.915 3.526 5.698 1.00 0.00 ATOM 244 CD2 PHE 32 -11.255 5.081 4.484 1.00 0.00 ATOM 245 CE1 PHE 32 -9.204 3.240 4.548 1.00 0.00 ATOM 246 CE2 PHE 32 -10.547 4.797 3.333 1.00 0.00 ATOM 247 CZ PHE 32 -9.519 3.874 3.366 1.00 0.00 ATOM 248 O PHE 32 -13.204 7.157 8.532 1.00 0.00 ATOM 249 C PHE 32 -12.321 6.318 8.705 1.00 0.00 ATOM 250 N SER 33 -12.205 5.577 9.832 1.00 0.00 ATOM 251 CA SER 33 -13.000 5.915 11.007 1.00 0.00 ATOM 252 CB SER 33 -14.357 5.240 11.035 1.00 0.00 ATOM 253 OG SER 33 -14.251 3.846 11.131 1.00 0.00 ATOM 254 O SER 33 -11.186 4.852 12.166 1.00 0.00 ATOM 255 C SER 33 -12.204 5.538 12.252 1.00 0.00 ATOM 256 N GLU 34 -12.674 5.993 13.408 1.00 0.00 ATOM 257 CA GLU 34 -12.033 5.668 14.677 1.00 0.00 ATOM 258 CB GLU 34 -12.662 6.474 15.816 1.00 0.00 ATOM 259 CG GLU 34 -14.094 6.078 16.149 1.00 0.00 ATOM 260 CD GLU 34 -15.074 6.748 15.228 1.00 0.00 ATOM 261 OE1 GLU 34 -14.645 7.381 14.292 1.00 0.00 ATOM 262 OE2 GLU 34 -16.252 6.535 15.390 1.00 0.00 ATOM 263 O GLU 34 -11.121 3.648 15.575 1.00 0.00 ATOM 264 C GLU 34 -12.045 4.187 14.919 1.00 0.00 ATOM 265 N ASP 35 -12.994 3.505 14.333 1.00 0.00 ATOM 266 CA ASP 35 -13.161 2.043 14.437 1.00 0.00 ATOM 267 CB ASP 35 -14.638 1.681 14.607 1.00 0.00 ATOM 268 CG ASP 35 -15.297 2.287 15.838 1.00 0.00 ATOM 269 OD1 ASP 35 -14.735 2.179 16.903 1.00 0.00 ATOM 270 OD2 ASP 35 -16.270 2.985 15.683 1.00 0.00 ATOM 271 O ASP 35 -12.659 0.058 13.184 1.00 0.00 ATOM 272 C ASP 35 -12.563 1.283 13.258 1.00 0.00 ATOM 273 N SER 36 -11.947 2.018 12.337 1.00 0.00 ATOM 274 CA SER 36 -11.528 1.453 11.061 1.00 0.00 ATOM 275 CB SER 36 -12.642 1.591 10.042 1.00 0.00 ATOM 276 OG SER 36 -12.276 1.082 8.789 1.00 0.00 ATOM 277 O SER 36 -10.272 3.298 10.175 1.00 0.00 ATOM 278 C SER 36 -10.260 2.122 10.542 1.00 0.00 ATOM 279 N PHE 37 -9.167 1.367 10.514 1.00 0.00 ATOM 280 CA PHE 37 -7.960 1.791 9.816 1.00 0.00 ATOM 281 CB PHE 37 -6.863 2.146 10.824 1.00 0.00 ATOM 282 CG PHE 37 -7.223 3.284 11.735 1.00 0.00 ATOM 283 CD1 PHE 37 -8.016 3.072 12.853 1.00 0.00 ATOM 284 CD2 PHE 37 -6.770 4.569 11.477 1.00 0.00 ATOM 285 CE1 PHE 37 -8.349 4.118 13.692 1.00 0.00 ATOM 286 CE2 PHE 37 -7.098 5.617 12.316 1.00 0.00 ATOM 287 CZ PHE 37 -7.888 5.391 13.424 1.00 0.00 ATOM 288 O PHE 37 -7.843 -0.448 8.963 1.00 0.00 ATOM 289 C PHE 37 -7.444 0.711 8.871 1.00 0.00 ATOM 290 N GLY 38 -6.554 1.101 7.965 1.00 0.00 ATOM 291 CA GLY 38 -6.002 0.173 6.984 1.00 0.00 ATOM 292 O GLY 38 -4.296 1.814 6.578 1.00 0.00 ATOM 293 C GLY 38 -4.621 0.627 6.525 1.00 0.00 ATOM 294 N MET 39 -3.811 -0.325 6.071 1.00 0.00 ATOM 295 CA MET 39 -2.484 -0.019 5.551 1.00 0.00 ATOM 296 CB MET 39 -1.502 0.282 6.683 1.00 0.00 ATOM 297 CG MET 39 -1.241 -0.891 7.617 1.00 0.00 ATOM 298 SD MET 39 -0.271 -0.423 9.066 1.00 0.00 ATOM 299 CE MET 39 1.343 -0.188 8.330 1.00 0.00 ATOM 300 O MET 39 -2.382 -2.297 4.865 1.00 0.00 ATOM 301 C MET 39 -1.949 -1.156 4.719 1.00 0.00 ATOM 302 N ASP 40 -0.913 -0.874 3.894 1.00 0.00 ATOM 303 CA ASP 40 -0.324 -1.885 3.041 1.00 0.00 ATOM 304 CB ASP 40 0.633 -1.242 2.036 1.00 0.00 ATOM 305 CG ASP 40 1.055 -2.157 0.893 1.00 0.00 ATOM 306 OD1 ASP 40 1.455 -3.265 1.162 1.00 0.00 ATOM 307 OD2 ASP 40 0.827 -1.803 -0.238 1.00 0.00 ATOM 308 O ASP 40 1.207 -2.501 4.785 1.00 0.00 ATOM 309 C ASP 40 0.447 -2.887 3.896 1.00 0.00 ATOM 310 N VAL 41 0.230 -4.171 3.635 1.00 0.00 ATOM 311 CA VAL 41 0.794 -5.227 4.465 1.00 0.00 ATOM 312 CB VAL 41 0.058 -6.562 4.244 1.00 0.00 ATOM 313 CG1 VAL 41 -1.420 -6.416 4.576 1.00 0.00 ATOM 314 CG2 VAL 41 0.236 -7.038 2.811 1.00 0.00 ATOM 315 O VAL 41 2.714 -5.196 3.001 1.00 0.00 ATOM 316 C VAL 41 2.237 -5.540 4.101 1.00 0.00 ATOM 317 N ALA 42 2.915 -6.197 5.123 1.00 0.00 ATOM 318 CA ALA 42 4.355 -6.483 4.921 1.00 0.00 ATOM 319 CB ALA 42 4.896 -7.176 6.162 1.00 0.00 ATOM 320 O ALA 42 5.529 -7.220 2.960 1.00 0.00 ATOM 321 C ALA 42 4.545 -7.361 3.689 1.00 0.00 ATOM 322 N ASP 43 3.599 -8.266 3.460 1.00 0.00 ATOM 323 CA ASP 43 3.674 -9.185 2.332 1.00 0.00 ATOM 324 CB ASP 43 2.559 -10.231 2.418 1.00 0.00 ATOM 325 CG ASP 43 2.765 -11.283 3.499 1.00 0.00 ATOM 326 OD1 ASP 43 3.849 -11.361 4.026 1.00 0.00 ATOM 327 OD2 ASP 43 1.800 -11.890 3.900 1.00 0.00 ATOM 328 O ASP 43 4.135 -8.878 0.030 1.00 0.00 ATOM 329 C ASP 43 3.584 -8.428 1.030 1.00 0.00 ATOM 330 N ASP 44 2.886 -7.319 0.997 1.00 0.00 ATOM 331 CA ASP 44 2.722 -6.514 -0.202 1.00 0.00 ATOM 332 CB ASP 44 1.290 -5.975 -0.278 1.00 0.00 ATOM 333 CG ASP 44 0.229 -7.042 -0.519 1.00 0.00 ATOM 334 OD1 ASP 44 0.581 -8.118 -0.942 1.00 0.00 ATOM 335 OD2 ASP 44 -0.896 -6.829 -0.133 1.00 0.00 ATOM 336 O ASP 44 3.650 -4.518 -1.163 1.00 0.00 ATOM 337 C ASP 44 3.719 -5.361 -0.268 1.00 0.00 ATOM 338 N SER 45 4.644 -5.331 0.685 1.00 0.00 ATOM 339 CA SER 45 5.538 -4.191 0.850 1.00 0.00 ATOM 340 CB SER 45 6.337 -4.282 2.147 1.00 0.00 ATOM 341 OG SER 45 7.245 -3.195 2.239 1.00 0.00 ATOM 342 O SER 45 7.335 -5.188 -0.390 1.00 0.00 ATOM 343 C SER 45 6.633 -4.192 -0.210 1.00 0.00 ATOM 344 N ILE 46 6.776 -3.070 -0.909 1.00 0.00 ATOM 345 CA ILE 46 7.901 -2.869 -1.812 1.00 0.00 ATOM 346 CB ILE 46 7.448 -2.195 -3.162 1.00 0.00 ATOM 347 CG1 ILE 46 6.160 -2.788 -3.729 1.00 0.00 ATOM 348 CG2 ILE 46 8.562 -2.198 -4.208 1.00 0.00 ATOM 349 CD1 ILE 46 5.482 -1.885 -4.722 1.00 0.00 ATOM 350 O ILE 46 9.124 -0.970 -0.968 1.00 0.00 ATOM 351 C ILE 46 8.981 -2.195 -0.973 1.00 0.00 ATOM 352 N THR 47 9.727 -3.034 -0.220 1.00 0.00 ATOM 353 CA THR 47 10.750 -2.518 0.678 1.00 0.00 ATOM 354 CB THR 47 11.525 -3.661 1.359 1.00 0.00 ATOM 355 CG2 THR 47 12.616 -3.103 2.259 1.00 0.00 ATOM 356 OG1 THR 47 10.623 -4.455 2.141 1.00 0.00 ATOM 357 O THR 47 12.101 -0.560 0.353 1.00 0.00 ATOM 358 C THR 47 11.732 -1.645 -0.097 1.00 0.00 ATOM 359 N PRO 48 12.150 -2.124 -1.264 1.00 0.00 ATOM 360 CA PRO 48 13.090 -1.390 -2.102 1.00 0.00 ATOM 361 CB PRO 48 13.279 -2.291 -3.333 1.00 0.00 ATOM 362 CG PRO 48 13.034 -3.688 -2.833 1.00 0.00 ATOM 363 CD PRO 48 11.683 -3.361 -1.906 1.00 0.00 ATOM 364 O PRO 48 13.262 0.973 -2.519 1.00 0.00 ATOM 365 C PRO 48 12.533 -0.020 -2.492 1.00 0.00 ATOM 366 N THR 49 11.241 0.024 -2.797 1.00 0.00 ATOM 367 CA THR 49 10.599 1.272 -3.191 1.00 0.00 ATOM 368 CB THR 49 9.151 1.006 -3.644 1.00 0.00 ATOM 369 CG2 THR 49 8.453 2.313 -3.991 1.00 0.00 ATOM 370 OG1 THR 49 9.157 0.152 -4.795 1.00 0.00 ATOM 371 O THR 49 10.905 3.455 -2.209 1.00 0.00 ATOM 372 C THR 49 10.644 2.253 -2.033 1.00 0.00 ATOM 373 N SER 50 10.314 1.788 -0.816 1.00 0.00 ATOM 374 CA SER 50 10.299 2.634 0.347 1.00 0.00 ATOM 375 CB SER 50 9.795 1.851 1.542 1.00 0.00 ATOM 376 OG SER 50 8.446 1.497 1.410 1.00 0.00 ATOM 377 O SER 50 11.846 4.381 0.974 1.00 0.00 ATOM 378 C SER 50 11.687 3.191 0.643 1.00 0.00 ATOM 379 N GLU 51 12.702 2.333 0.529 1.00 0.00 ATOM 380 CA GLU 51 14.076 2.739 0.797 1.00 0.00 ATOM 381 CB GLU 51 15.007 1.514 0.715 1.00 0.00 ATOM 382 CG GLU 51 16.471 1.837 0.981 1.00 0.00 ATOM 383 CD GLU 51 16.725 2.323 2.398 1.00 0.00 ATOM 384 OE1 GLU 51 17.850 2.803 2.663 1.00 0.00 ATOM 385 OE2 GLU 51 15.807 2.217 3.245 1.00 0.00 ATOM 386 O GLU 51 15.162 4.764 0.176 1.00 0.00 ATOM 387 C GLU 51 14.552 3.778 -0.206 1.00 0.00 ATOM 388 N PHE 52 14.266 3.566 -1.489 1.00 0.00 ATOM 389 CA PHE 52 14.650 4.507 -2.522 1.00 0.00 ATOM 390 CB PHE 52 14.266 3.958 -3.897 1.00 0.00 ATOM 391 CG PHE 52 14.606 4.880 -5.034 1.00 0.00 ATOM 392 CD1 PHE 52 15.903 4.954 -5.522 1.00 0.00 ATOM 393 CD2 PHE 52 13.632 5.674 -5.618 1.00 0.00 ATOM 394 CE1 PHE 52 16.217 5.801 -6.567 1.00 0.00 ATOM 395 CE2 PHE 52 13.943 6.522 -6.664 1.00 0.00 ATOM 396 CZ PHE 52 15.237 6.584 -7.138 1.00 0.00 ATOM 397 O PHE 52 14.675 6.905 -2.101 1.00 0.00 ATOM 398 C PHE 52 14.001 5.855 -2.230 1.00 0.00 ATOM 399 N VAL 53 12.691 5.875 -2.074 1.00 0.00 ATOM 400 CA VAL 53 11.974 7.112 -1.803 1.00 0.00 ATOM 401 CB VAL 53 10.449 6.853 -2.073 1.00 0.00 ATOM 402 CG1 VAL 53 9.582 7.969 -1.511 1.00 0.00 ATOM 403 CG2 VAL 53 10.196 6.607 -3.544 1.00 0.00 ATOM 404 O VAL 53 12.261 8.930 -0.260 1.00 0.00 ATOM 405 C VAL 53 12.225 7.709 -0.414 1.00 0.00 ATOM 406 N TRP 54 12.420 6.870 0.573 1.00 0.00 ATOM 407 CA TRP 54 12.677 7.365 1.922 1.00 0.00 ATOM 408 CB TRP 54 11.815 6.494 2.837 1.00 0.00 ATOM 409 CG TRP 54 10.348 6.587 2.544 1.00 0.00 ATOM 410 CD1 TRP 54 9.726 7.538 1.792 1.00 0.00 ATOM 411 CD2 TRP 54 9.320 5.694 2.994 1.00 0.00 ATOM 412 CE2 TRP 54 8.101 6.168 2.478 1.00 0.00 ATOM 413 CE3 TRP 54 9.316 4.540 3.785 1.00 0.00 ATOM 414 NE1 TRP 54 8.374 7.297 1.747 1.00 0.00 ATOM 415 CZ2 TRP 54 6.893 5.535 2.724 1.00 0.00 ATOM 416 CZ3 TRP 54 8.105 3.904 4.033 1.00 0.00 ATOM 417 CH2 TRP 54 6.929 4.387 3.517 1.00 0.00 ATOM 418 O TRP 54 14.452 7.894 3.448 1.00 0.00 ATOM 419 C TRP 54 14.129 7.357 2.390 1.00 0.00 ATOM 420 N SER 55 15.006 6.789 1.569 1.00 0.00 ATOM 421 CA SER 55 16.415 6.661 1.924 1.00 0.00 ATOM 422 CB SER 55 17.105 5.704 0.972 1.00 0.00 ATOM 423 OG SER 55 17.167 6.212 -0.332 1.00 0.00 ATOM 424 O SER 55 18.014 8.253 2.756 1.00 0.00 ATOM 425 C SER 55 17.100 8.034 1.967 1.00 0.00 ATOM 426 N SER 56 16.551 8.920 1.039 1.00 0.00 ATOM 427 CA SER 56 17.066 10.299 0.969 1.00 0.00 ATOM 428 CB SER 56 16.678 10.960 -0.339 1.00 0.00 ATOM 429 OG SER 56 15.300 11.204 -0.416 1.00 0.00 ATOM 430 O SER 56 16.963 12.339 2.290 1.00 0.00 ATOM 431 C SER 56 16.534 11.185 2.119 1.00 0.00 ATOM 432 N VAL 57 15.655 10.636 2.899 1.00 0.00 ATOM 433 CA VAL 57 15.046 11.391 3.992 1.00 0.00 ATOM 434 CB VAL 57 13.753 10.700 4.464 1.00 0.00 ATOM 435 CG1 VAL 57 13.110 11.491 5.594 1.00 0.00 ATOM 436 CG2 VAL 57 12.780 10.541 3.306 1.00 0.00 ATOM 437 O VAL 57 16.501 10.686 5.766 1.00 0.00 ATOM 438 C VAL 57 15.958 11.627 5.192 1.00 0.00 ATOM 439 N ARG 58 16.118 12.893 5.565 1.00 0.00 ATOM 440 CA ARG 58 16.946 13.255 6.709 1.00 0.00 ATOM 441 CB ARG 58 17.385 14.723 6.617 1.00 0.00 ATOM 442 CG ARG 58 18.176 15.092 5.377 1.00 0.00 ATOM 443 CD ARG 58 19.613 14.617 5.469 1.00 0.00 ATOM 444 NE ARG 58 20.414 15.169 4.381 1.00 0.00 ATOM 445 CZ ARG 58 20.270 14.841 3.103 1.00 0.00 ATOM 446 NH1 ARG 58 19.353 13.954 2.745 1.00 0.00 ATOM 447 NH2 ARG 58 21.031 15.417 2.180 1.00 0.00 ATOM 448 O ARG 58 14.943 13.425 8.019 1.00 0.00 ATOM 449 C ARG 58 16.160 13.232 8.015 1.00 0.00 ATOM 450 N ASP 59 16.868 13.040 9.123 1.00 0.00 ATOM 451 CA ASP 59 16.261 13.131 10.445 1.00 0.00 ATOM 452 CB ASP 59 17.283 12.788 11.531 1.00 0.00 ATOM 453 CG ASP 59 17.687 11.321 11.574 1.00 0.00 ATOM 454 OD1 ASP 59 17.027 10.525 10.948 1.00 0.00 ATOM 455 OD2 ASP 59 18.736 11.029 12.098 1.00 0.00 ATOM 456 O ASP 59 14.564 14.570 11.342 1.00 0.00 ATOM 457 C ASP 59 15.630 14.490 10.731 1.00 0.00 ATOM 458 N ASP 60 16.238 15.544 10.198 1.00 0.00 ATOM 459 CA ASP 60 15.718 16.895 10.364 1.00 0.00 ATOM 460 CB ASP 60 16.716 17.926 9.833 1.00 0.00 ATOM 461 CG ASP 60 17.951 18.113 10.703 1.00 0.00 ATOM 462 OD1 ASP 60 17.944 17.645 11.817 1.00 0.00 ATOM 463 OD2 ASP 60 18.943 18.581 10.198 1.00 0.00 ATOM 464 O ASP 60 13.416 17.567 10.245 1.00 0.00 ATOM 465 C ASP 60 14.368 17.042 9.669 1.00 0.00 ATOM 466 N VAL 61 14.286 16.549 8.437 1.00 0.00 ATOM 467 CA VAL 61 13.052 16.625 7.663 1.00 0.00 ATOM 468 CB VAL 61 13.266 16.141 6.216 1.00 0.00 ATOM 469 CG1 VAL 61 11.937 16.060 5.479 1.00 0.00 ATOM 470 CG2 VAL 61 14.226 17.064 5.480 1.00 0.00 ATOM 471 O VAL 61 10.767 16.192 8.252 1.00 0.00 ATOM 472 C VAL 61 11.936 15.807 8.302 1.00 0.00 ATOM 473 N MET 62 12.299 14.671 8.885 1.00 0.00 ATOM 474 CA MET 62 11.320 13.754 9.457 1.00 0.00 ATOM 475 CB MET 62 11.874 12.676 10.254 1.00 0.00 ATOM 476 CG MET 62 12.546 11.627 9.381 1.00 0.00 ATOM 477 SD MET 62 11.543 11.056 7.992 1.00 0.00 ATOM 478 CE MET 62 10.089 10.434 8.856 1.00 0.00 ATOM 479 O MET 62 9.334 14.158 10.740 1.00 0.00 ATOM 480 C MET 62 10.516 14.430 10.570 1.00 0.00 ATOM 481 N ARG 63 11.180 15.261 11.345 1.00 0.00 ATOM 482 CA ARG 63 10.491 15.998 12.415 1.00 0.00 ATOM 483 CB ARG 63 11.483 16.695 13.337 1.00 0.00 ATOM 484 CG ARG 63 12.303 15.762 14.214 1.00 0.00 ATOM 485 CD ARG 63 13.318 16.447 15.054 1.00 0.00 ATOM 486 NE ARG 63 14.111 15.558 15.887 1.00 0.00 ATOM 487 CZ ARG 63 15.144 15.950 16.658 1.00 0.00 ATOM 488 NH1 ARG 63 15.536 17.206 16.678 1.00 0.00 ATOM 489 NH2 ARG 63 15.770 15.035 17.377 1.00 0.00 ATOM 490 O ARG 63 8.373 17.171 12.433 1.00 0.00 ATOM 491 C ARG 63 9.450 16.971 11.839 1.00 0.00 ATOM 492 N LEU 64 9.760 17.549 10.699 1.00 0.00 ATOM 493 CA LEU 64 8.804 18.460 10.060 1.00 0.00 ATOM 494 CB LEU 64 9.476 19.141 8.860 1.00 0.00 ATOM 495 CG LEU 64 10.535 20.192 9.213 1.00 0.00 ATOM 496 CD1 LEU 64 11.252 20.654 7.952 1.00 0.00 ATOM 497 CD2 LEU 64 9.872 21.365 9.919 1.00 0.00 ATOM 498 O LEU 64 6.446 18.169 9.714 1.00 0.00 ATOM 499 C LEU 64 7.573 17.687 9.599 1.00 0.00 ATOM 500 N GLY 65 7.789 16.492 9.078 1.00 0.00 ATOM 501 CA GLY 65 6.707 15.624 8.629 1.00 0.00 ATOM 502 O GLY 65 4.584 15.266 9.687 1.00 0.00 ATOM 503 C GLY 65 5.809 15.220 9.794 1.00 0.00 ATOM 504 N ARG 66 6.427 14.893 10.923 1.00 0.00 ATOM 505 CA ARG 66 5.687 14.620 12.151 1.00 0.00 ATOM 506 CB ARG 66 6.568 14.006 13.228 1.00 0.00 ATOM 507 CG ARG 66 6.996 12.572 12.963 1.00 0.00 ATOM 508 CD ARG 66 7.916 12.009 13.984 1.00 0.00 ATOM 509 NE ARG 66 8.341 10.641 13.725 1.00 0.00 ATOM 510 CZ ARG 66 9.231 9.963 14.474 1.00 0.00 ATOM 511 NH1 ARG 66 9.823 10.529 15.502 1.00 0.00 ATOM 512 NH2 ARG 66 9.516 8.719 14.130 1.00 0.00 ATOM 513 O ARG 66 3.833 15.817 13.096 1.00 0.00 ATOM 514 C ARG 66 4.977 15.875 12.646 1.00 0.00 ATOM 515 N GLU 67 5.655 17.014 12.541 1.00 0.00 ATOM 516 CA GLU 67 5.091 18.284 12.983 1.00 0.00 ATOM 517 CB GLU 67 6.133 19.400 12.865 1.00 0.00 ATOM 518 CG GLU 67 5.665 20.753 13.382 1.00 0.00 ATOM 519 CD GLU 67 6.763 21.778 13.305 1.00 0.00 ATOM 520 OE1 GLU 67 7.841 21.433 12.883 1.00 0.00 ATOM 521 OE2 GLU 67 6.493 22.928 13.559 1.00 0.00 ATOM 522 O GLU 67 2.819 18.917 12.649 1.00 0.00 ATOM 523 C GLU 67 3.871 18.571 12.126 1.00 0.00 ATOM 524 N GLN 68 4.001 18.374 10.841 1.00 0.00 ATOM 525 CA GLN 68 2.880 18.632 9.944 1.00 0.00 ATOM 526 CB GLN 68 3.397 18.804 8.504 1.00 0.00 ATOM 527 CG GLN 68 4.203 20.063 8.263 1.00 0.00 ATOM 528 CD GLN 68 4.718 20.139 6.843 1.00 0.00 ATOM 529 OE1 GLN 68 4.010 19.794 5.894 1.00 0.00 ATOM 530 NE2 GLN 68 5.955 20.599 6.684 1.00 0.00 ATOM 531 O GLN 68 0.570 17.981 9.886 1.00 0.00 ATOM 532 C GLN 68 1.739 17.625 10.032 1.00 0.00 ATOM 533 N LEU 69 2.086 16.364 10.273 1.00 0.00 ATOM 534 CA LEU 69 1.116 15.279 10.215 1.00 0.00 ATOM 535 CB LEU 69 1.830 13.924 10.295 1.00 0.00 ATOM 536 CG LEU 69 2.821 13.639 9.158 1.00 0.00 ATOM 537 CD1 LEU 69 3.579 12.349 9.438 1.00 0.00 ATOM 538 CD2 LEU 69 2.067 13.548 7.840 1.00 0.00 ATOM 539 O LEU 69 -1.111 15.184 11.109 1.00 0.00 ATOM 540 C LEU 69 0.075 15.439 11.318 1.00 0.00 ATOM 541 N GLN 70 0.519 15.905 12.482 1.00 0.00 ATOM 542 CA GLN 70 -0.374 16.118 13.614 1.00 0.00 ATOM 543 CB GLN 70 0.437 16.338 14.894 1.00 0.00 ATOM 544 CG GLN 70 1.200 15.111 15.366 1.00 0.00 ATOM 545 CD GLN 70 2.038 15.389 16.599 1.00 0.00 ATOM 546 OE1 GLN 70 2.085 16.520 17.091 1.00 0.00 ATOM 547 NE2 GLN 70 2.710 14.360 17.101 1.00 0.00 ATOM 548 O GLN 70 -2.475 17.260 13.812 1.00 0.00 ATOM 549 C GLN 70 -1.330 17.279 13.364 1.00 0.00 ATOM 550 N ILE 71 -0.843 18.299 12.664 1.00 0.00 ATOM 551 CA ILE 71 -1.676 19.435 12.286 1.00 0.00 ATOM 552 CB ILE 71 -0.865 20.502 11.529 1.00 0.00 ATOM 553 CG1 ILE 71 0.173 21.142 12.456 1.00 0.00 ATOM 554 CG2 ILE 71 -1.791 21.561 10.949 1.00 0.00 ATOM 555 CD1 ILE 71 1.183 22.006 11.736 1.00 0.00 ATOM 556 O ILE 71 -3.966 19.549 11.574 1.00 0.00 ATOM 557 C ILE 71 -2.867 19.014 11.433 1.00 0.00 ATOM 558 N LEU 72 -2.645 18.050 10.545 1.00 0.00 ATOM 559 CA LEU 72 -3.698 17.542 9.675 1.00 0.00 ATOM 560 CB LEU 72 -3.104 16.613 8.609 1.00 0.00 ATOM 561 CG LEU 72 -2.233 17.306 7.552 1.00 0.00 ATOM 562 CD1 LEU 72 -1.559 16.266 6.667 1.00 0.00 ATOM 563 CD2 LEU 72 -3.095 18.243 6.719 1.00 0.00 ATOM 564 O LEU 72 -5.951 17.060 10.338 1.00 0.00 ATOM 565 C LEU 72 -4.759 16.836 10.510 1.00 0.00 ATOM 566 N LEU 73 -4.316 15.976 11.402 1.00 0.00 ATOM 567 CA LEU 73 -5.258 15.218 12.251 1.00 0.00 ATOM 568 CB LEU 73 -4.476 14.250 13.123 1.00 0.00 ATOM 569 CG LEU 73 -3.932 13.058 12.329 1.00 0.00 ATOM 570 CD1 LEU 73 -3.130 12.175 13.271 1.00 0.00 ATOM 571 CD2 LEU 73 -5.086 12.275 11.685 1.00 0.00 ATOM 572 O LEU 73 -7.182 15.747 13.592 1.00 0.00 ATOM 573 C LEU 73 -6.050 16.081 13.239 1.00 0.00 ATOM 574 N GLU 74 -5.470 17.180 13.670 1.00 0.00 ATOM 575 CA GLU 74 -6.159 18.066 14.605 1.00 0.00 ATOM 576 CB GLU 74 -5.228 19.210 15.012 1.00 0.00 ATOM 577 CG GLU 74 -4.052 18.786 15.880 1.00 0.00 ATOM 578 CD GLU 74 -3.117 19.934 16.132 1.00 0.00 ATOM 579 OE1 GLU 74 -3.340 20.989 15.588 1.00 0.00 ATOM 580 OE2 GLU 74 -2.242 19.793 16.954 1.00 0.00 ATOM 581 O GLU 74 -8.486 18.647 14.730 1.00 0.00 ATOM 582 C GLU 74 -7.466 18.615 14.040 1.00 0.00 ATOM 583 N GLN 75 -7.423 19.063 12.791 1.00 0.00 ATOM 584 CA GLN 75 -8.627 19.499 12.092 1.00 0.00 ATOM 585 CB GLN 75 -8.280 19.996 10.685 1.00 0.00 ATOM 586 CG GLN 75 -7.521 21.311 10.659 1.00 0.00 ATOM 587 CD GLN 75 -7.088 21.704 9.260 1.00 0.00 ATOM 588 OE1 GLN 75 -7.281 20.949 8.302 1.00 0.00 ATOM 589 NE2 GLN 75 -6.495 22.885 9.133 1.00 0.00 ATOM 590 O GLN 75 -10.831 18.574 12.310 1.00 0.00 ATOM 591 C GLN 75 -9.652 18.374 12.015 1.00 0.00 ATOM 592 N ASN 76 -9.052 17.184 11.550 1.00 0.00 ATOM 593 CA ASN 76 -9.929 16.028 11.402 1.00 0.00 ATOM 594 CB ASN 76 -9.202 14.858 10.767 1.00 0.00 ATOM 595 CG ASN 76 -8.922 15.044 9.301 1.00 0.00 ATOM 596 ND2 ASN 76 -8.025 14.240 8.790 1.00 0.00 ATOM 597 OD1 ASN 76 -9.563 15.856 8.624 1.00 0.00 ATOM 598 O ASN 76 -11.699 15.218 12.809 1.00 0.00 ATOM 599 C ASN 76 -10.524 15.581 12.734 1.00 0.00 ATOM 600 N ILE 77 -9.708 15.611 13.782 1.00 0.00 ATOM 601 CA ILE 77 -10.160 15.235 15.115 1.00 0.00 ATOM 602 CB ILE 77 -9.014 15.308 16.142 1.00 0.00 ATOM 603 CG1 ILE 77 -7.979 14.214 15.864 1.00 0.00 ATOM 604 CG2 ILE 77 -9.558 15.184 17.557 1.00 0.00 ATOM 605 CD1 ILE 77 -6.695 14.376 16.646 1.00 0.00 ATOM 606 O ILE 77 -12.307 15.675 16.094 1.00 0.00 ATOM 607 C ILE 77 -11.294 16.143 15.576 1.00 0.00 ATOM 608 N ASN 78 -11.119 17.447 15.382 1.00 0.00 ATOM 609 CA ASN 78 -12.068 18.432 15.885 1.00 0.00 ATOM 610 CB ASN 78 -11.527 19.843 15.754 1.00 0.00 ATOM 611 CG ASN 78 -10.396 20.147 16.699 1.00 0.00 ATOM 612 ND2 ASN 78 -9.649 21.171 16.373 1.00 0.00 ATOM 613 OD1 ASN 78 -10.248 19.510 17.747 1.00 0.00 ATOM 614 O ASN 78 -14.231 19.230 15.217 1.00 0.00 ATOM 615 C ASN 78 -13.410 18.314 15.171 1.00 0.00 ATOM 616 N GLU 79 -13.688 17.156 14.450 1.00 0.00 ATOM 617 CA GLU 79 -14.944 16.902 13.755 1.00 0.00 ATOM 618 CB GLU 79 -14.820 17.490 12.316 1.00 0.00 ATOM 619 CG GLU 79 -15.196 18.969 12.265 1.00 0.00 ATOM 620 CD GLU 79 -14.856 19.696 10.979 1.00 0.00 ATOM 621 OE1 GLU 79 -14.331 19.074 10.016 1.00 0.00 ATOM 622 OE2 GLU 79 -15.103 20.920 10.994 1.00 0.00 ATOM 623 O GLU 79 -16.589 15.154 13.783 1.00 0.00 ATOM 624 C GLU 79 -15.436 15.489 14.053 1.00 0.00 ATOM 625 N ARG 80 -14.543 14.657 14.603 1.00 0.00 ATOM 626 CA ARG 80 -14.915 13.278 14.909 1.00 0.00 ATOM 627 CB ARG 80 -14.680 12.454 13.652 1.00 0.00 ATOM 628 CG ARG 80 -13.231 12.382 13.196 1.00 0.00 ATOM 629 CD ARG 80 -13.045 11.808 11.838 1.00 0.00 ATOM 630 NE ARG 80 -13.532 12.648 10.757 1.00 0.00 ATOM 631 CZ ARG 80 -13.643 12.255 9.473 1.00 0.00 ATOM 632 NH1 ARG 80 -13.269 11.052 9.099 1.00 0.00 ATOM 633 NH2 ARG 80 -14.117 13.121 8.593 1.00 0.00 ATOM 634 O ARG 80 -13.192 13.357 16.579 1.00 0.00 ATOM 635 C ARG 80 -14.129 12.723 16.093 1.00 0.00 ATOM 636 N LEU 81 -14.516 11.537 16.550 1.00 0.00 ATOM 637 CA LEU 81 -13.742 10.812 17.551 1.00 0.00 ATOM 638 CB LEU 81 -14.674 9.977 18.437 1.00 0.00 ATOM 639 CG LEU 81 -13.973 9.148 19.522 1.00 0.00 ATOM 640 CD1 LEU 81 -13.285 10.069 20.519 1.00 0.00 ATOM 641 CD2 LEU 81 -14.993 8.261 20.221 1.00 0.00 ATOM 642 O LEU 81 -13.025 8.938 16.237 1.00 0.00 ATOM 643 C LEU 81 -12.692 9.911 16.912 1.00 0.00 ATOM 644 N ASN 82 -11.423 10.217 17.164 1.00 0.00 ATOM 645 CA ASN 82 -10.323 9.394 16.673 1.00 0.00 ATOM 646 CB ASN 82 -9.105 10.241 16.353 1.00 0.00 ATOM 647 CG ASN 82 -8.505 10.919 17.554 1.00 0.00 ATOM 648 ND2 ASN 82 -7.255 10.626 17.801 1.00 0.00 ATOM 649 OD1 ASN 82 -9.145 11.752 18.205 1.00 0.00 ATOM 650 O ASN 82 -10.191 8.426 18.866 1.00 0.00 ATOM 651 C ASN 82 -9.973 8.287 17.662 1.00 0.00 ATOM 652 N ILE 83 -9.453 7.180 17.145 1.00 0.00 ATOM 653 CA ILE 83 -9.027 6.068 17.984 1.00 0.00 ATOM 654 CB ILE 83 -10.002 4.880 17.908 1.00 0.00 ATOM 655 CG1 ILE 83 -11.392 5.297 18.393 1.00 0.00 ATOM 656 CG2 ILE 83 -9.479 3.708 18.726 1.00 0.00 ATOM 657 CD1 ILE 83 -12.461 4.254 18.157 1.00 0.00 ATOM 658 O ILE 83 -7.426 5.128 16.463 1.00 0.00 ATOM 659 C ILE 83 -7.651 5.533 17.604 1.00 0.00 ATOM 660 N GLY 84 -6.703 5.637 18.531 1.00 0.00 ATOM 661 CA GLY 84 -5.381 5.051 18.343 1.00 0.00 ATOM 662 O GLY 84 -4.417 2.915 18.129 1.00 0.00 ATOM 663 C GLY 84 -5.389 3.559 18.505 1.00 0.00 ATOM 664 N GLU 85 -6.400 2.979 19.192 1.00 0.00 ATOM 665 CA GLU 85 -6.392 1.560 19.470 1.00 0.00 ATOM 666 CB GLU 85 -7.586 1.225 20.377 1.00 0.00 ATOM 667 CG GLU 85 -7.817 -0.292 20.540 1.00 0.00 ATOM 668 CD GLU 85 -9.087 -0.632 21.318 1.00 0.00 ATOM 669 OE1 GLU 85 -9.928 0.240 21.600 1.00 0.00 ATOM 670 OE2 GLU 85 -9.200 -1.845 21.651 1.00 0.00 ATOM 671 O GLU 85 -5.484 -0.145 18.049 1.00 0.00 ATOM 672 C GLU 85 -6.371 0.727 18.206 1.00 0.00 ATOM 673 N PRO 86 -7.236 0.937 17.215 1.00 0.00 ATOM 674 CA PRO 86 -7.223 0.111 16.010 1.00 0.00 ATOM 675 CB PRO 86 -8.501 0.362 15.317 1.00 0.00 ATOM 676 CG PRO 86 -9.403 0.987 16.333 1.00 0.00 ATOM 677 CD PRO 86 -8.437 1.857 17.152 1.00 0.00 ATOM 678 O PRO 86 -5.424 -0.734 14.670 1.00 0.00 ATOM 679 C PRO 86 -5.924 0.234 15.230 1.00 0.00 ATOM 680 N LEU 87 -5.356 1.446 15.183 1.00 0.00 ATOM 681 CA LEU 87 -4.130 1.680 14.416 1.00 0.00 ATOM 682 CB LEU 87 -3.826 3.189 14.341 1.00 0.00 ATOM 683 CG LEU 87 -2.713 3.561 13.339 1.00 0.00 ATOM 684 CD1 LEU 87 -3.203 3.395 11.911 1.00 0.00 ATOM 685 CD2 LEU 87 -2.252 4.994 13.594 1.00 0.00 ATOM 686 O LEU 87 -2.142 0.313 14.442 1.00 0.00 ATOM 687 C LEU 87 -2.979 0.959 15.091 1.00 0.00 ATOM 688 N LEU 88 -2.966 0.983 16.425 1.00 0.00 ATOM 689 CA LEU 88 -1.966 0.258 17.191 1.00 0.00 ATOM 690 CB LEU 88 -2.107 0.647 18.662 1.00 0.00 ATOM 691 CG LEU 88 -0.914 0.141 19.473 1.00 0.00 ATOM 692 CD1 LEU 88 0.427 0.566 18.875 1.00 0.00 ATOM 693 CD2 LEU 88 -1.051 0.701 20.887 1.00 0.00 ATOM 694 O LEU 88 -1.098 -1.970 16.908 1.00 0.00 ATOM 695 C LEU 88 -2.085 -1.237 17.026 1.00 0.00 ATOM 696 N VAL 89 -3.313 -1.760 16.981 1.00 0.00 ATOM 697 CA VAL 89 -3.533 -3.189 16.786 1.00 0.00 ATOM 698 CB VAL 89 -5.031 -3.542 16.843 1.00 0.00 ATOM 699 CG1 VAL 89 -5.252 -4.988 16.422 1.00 0.00 ATOM 700 CG2 VAL 89 -5.582 -3.307 18.242 1.00 0.00 ATOM 701 O VAL 89 -2.195 -4.608 15.380 1.00 0.00 ATOM 702 C VAL 89 -2.939 -3.628 15.450 1.00 0.00 ATOM 703 N TYR 90 -3.301 -2.891 14.385 1.00 0.00 ATOM 704 CA TYR 90 -2.817 -3.221 13.051 1.00 0.00 ATOM 705 CB TYR 90 -3.618 -2.435 12.010 1.00 0.00 ATOM 706 CG TYR 90 -5.090 -2.791 11.974 1.00 0.00 ATOM 707 CD1 TYR 90 -6.036 -1.963 12.557 1.00 0.00 ATOM 708 CD2 TYR 90 -5.523 -3.953 11.354 1.00 0.00 ATOM 709 CE1 TYR 90 -7.380 -2.283 12.526 1.00 0.00 ATOM 710 CE2 TYR 90 -6.864 -4.283 11.316 1.00 0.00 ATOM 711 CZ TYR 90 -7.790 -3.446 11.904 1.00 0.00 ATOM 712 OH TYR 90 -9.127 -3.770 11.868 1.00 0.00 ATOM 713 O TYR 90 -0.610 -3.813 12.315 1.00 0.00 ATOM 714 C TYR 90 -1.324 -2.971 12.858 1.00 0.00 ATOM 715 N LEU 91 -0.829 -1.754 13.333 1.00 0.00 ATOM 716 CA LEU 91 0.586 -1.418 13.233 1.00 0.00 ATOM 717 CB LEU 91 0.797 0.030 13.750 1.00 0.00 ATOM 718 CG LEU 91 0.095 1.210 13.070 1.00 0.00 ATOM 719 CD1 LEU 91 0.390 2.498 13.827 1.00 0.00 ATOM 720 CD2 LEU 91 0.526 1.326 11.626 1.00 0.00 ATOM 721 O LEU 91 2.506 -2.816 13.443 1.00 0.00 ATOM 722 C LEU 91 1.464 -2.430 13.960 1.00 0.00 ATOM 723 N ARG 92 0.986 -2.909 15.125 1.00 0.00 ATOM 724 CA ARG 92 1.727 -3.941 15.837 1.00 0.00 ATOM 725 CB ARG 92 1.112 -3.978 17.296 1.00 0.00 ATOM 726 CG ARG 92 1.912 -4.840 18.265 1.00 0.00 ATOM 727 CD ARG 92 1.377 -4.716 19.676 1.00 0.00 ATOM 728 NE ARG 92 0.018 -5.204 19.766 1.00 0.00 ATOM 729 CZ ARG 92 -0.938 -4.796 20.594 1.00 0.00 ATOM 730 NH1 ARG 92 -0.732 -3.838 21.470 1.00 0.00 ATOM 731 NH2 ARG 92 -2.117 -5.391 20.497 1.00 0.00 ATOM 732 O ARG 92 2.796 -5.944 15.055 1.00 0.00 ATOM 733 C ARG 92 1.773 -5.258 15.071 1.00 0.00 ATOM 734 N ARG 93 0.661 -5.604 14.428 1.00 0.00 ATOM 735 CA ARG 93 0.576 -6.834 13.649 1.00 0.00 ATOM 736 CB ARG 93 -0.869 -7.063 13.215 1.00 0.00 ATOM 737 CG ARG 93 -1.801 -7.333 14.393 1.00 0.00 ATOM 738 CD ARG 93 -3.230 -7.142 13.927 1.00 0.00 ATOM 739 NE ARG 93 -4.252 -7.334 14.948 1.00 0.00 ATOM 740 CZ ARG 93 -4.717 -8.474 15.432 1.00 0.00 ATOM 741 NH1 ARG 93 -4.217 -9.640 15.046 1.00 0.00 ATOM 742 NH2 ARG 93 -5.738 -8.516 16.307 1.00 0.00 ATOM 743 O ARG 93 2.171 -7.754 12.113 1.00 0.00 ATOM 744 C ARG 93 1.486 -6.781 12.425 1.00 0.00 ATOM 745 N GLN 94 1.543 -5.618 11.786 1.00 0.00 ATOM 746 CA GLN 94 2.461 -5.398 10.675 1.00 0.00 ATOM 747 CB GLN 94 2.177 -4.052 10.002 1.00 0.00 ATOM 748 CG GLN 94 0.842 -3.987 9.281 1.00 0.00 ATOM 749 CD GLN 94 0.649 -5.140 8.315 1.00 0.00 ATOM 750 OE1 GLN 94 1.555 -5.489 7.553 1.00 0.00 ATOM 751 NE2 GLN 94 -0.538 -5.737 8.338 1.00 0.00 ATOM 752 O GLN 94 4.806 -5.831 10.397 1.00 0.00 ATOM 753 C GLN 94 3.912 -5.427 11.142 1.00 0.00 ATOM 754 N ASP 95 4.145 -4.954 12.362 1.00 0.00 ATOM 755 CA ASP 95 5.493 -4.896 12.917 1.00 0.00 ATOM 756 CB ASP 95 5.653 -3.679 13.831 1.00 0.00 ATOM 757 CG ASP 95 5.680 -2.344 13.099 1.00 0.00 ATOM 758 OD1 ASP 95 5.886 -2.344 11.909 1.00 0.00 ATOM 759 OD2 ASP 95 5.341 -1.353 13.701 1.00 0.00 ATOM 760 O ASP 95 6.931 -6.345 14.182 1.00 0.00 ATOM 761 C ASP 95 5.825 -6.183 13.665 1.00 0.00 ATOM 762 N LEU 96 4.862 -7.097 13.718 1.00 0.00 ATOM 763 CA LEU 96 5.076 -8.402 14.334 1.00 0.00 ATOM 764 CB LEU 96 3.989 -8.840 15.216 1.00 0.00 ATOM 765 CG LEU 96 4.190 -10.252 15.793 1.00 0.00 ATOM 766 CD1 LEU 96 5.425 -10.340 16.673 1.00 0.00 ATOM 767 CD2 LEU 96 2.936 -10.680 16.557 1.00 0.00 ATOM 768 O LEU 96 6.153 -10.073 12.991 1.00 0.00 ATOM 769 C LEU 96 5.085 -9.585 13.355 1.00 0.00 ATOM 770 N PRO 97 3.934 -10.271 12.884 1.00 0.00 ATOM 771 CA PRO 97 4.004 -11.405 11.950 1.00 0.00 ATOM 772 CB PRO 97 2.619 -11.906 11.750 1.00 0.00 ATOM 773 CG PRO 97 1.736 -10.759 12.195 1.00 0.00 ATOM 774 CD PRO 97 2.489 -10.161 13.380 1.00 0.00 ATOM 775 O PRO 97 5.399 -11.490 9.994 1.00 0.00 ATOM 776 C PRO 97 4.639 -10.819 10.693 1.00 0.00 ATOM 777 N GLU 98 4.366 -9.548 10.433 1.00 0.00 ATOM 778 CA GLU 98 4.904 -8.871 9.260 1.00 0.00 ATOM 779 CB GLU 98 3.844 -7.902 8.730 1.00 0.00 ATOM 780 CG GLU 98 2.514 -8.555 8.383 1.00 0.00 ATOM 781 CD GLU 98 2.686 -9.626 7.342 1.00 0.00 ATOM 782 OE1 GLU 98 3.280 -9.351 6.326 1.00 0.00 ATOM 783 OE2 GLU 98 2.324 -10.747 7.606 1.00 0.00 ATOM 784 O GLU 98 6.923 -7.799 8.547 1.00 0.00 ATOM 785 C GLU 98 6.224 -8.146 9.500 1.00 0.00 ATOM 786 N ILE 99 6.659 -8.082 10.762 1.00 0.00 ATOM 787 CA ILE 99 7.925 -7.455 11.113 1.00 0.00 ATOM 788 CB ILE 99 8.216 -7.256 12.567 1.00 0.00 ATOM 789 CG1 ILE 99 9.521 -6.463 12.743 1.00 0.00 ATOM 790 CG2 ILE 99 8.275 -8.576 13.355 1.00 0.00 ATOM 791 CD1 ILE 99 9.440 -4.989 12.280 1.00 0.00 ATOM 792 O ILE 99 10.069 -7.814 9.998 1.00 0.00 ATOM 793 C ILE 99 9.077 -8.312 10.563 1.00 0.00 ATOM 794 N THR 100 8.946 -9.608 10.678 1.00 0.00 ATOM 795 CA THR 100 10.009 -10.477 10.177 1.00 0.00 ATOM 796 CB THR 100 9.788 -11.967 10.442 1.00 0.00 ATOM 797 CG2 THR 100 11.037 -12.759 10.174 1.00 0.00 ATOM 798 OG1 THR 100 9.560 -12.187 11.838 1.00 0.00 ATOM 799 O THR 100 11.183 -10.249 8.093 1.00 0.00 ATOM 800 C THR 100 10.095 -10.340 8.673 1.00 0.00 ATOM 801 N ALA 101 8.945 -10.388 7.995 1.00 0.00 ATOM 802 CA ALA 101 8.977 -10.330 6.524 1.00 0.00 ATOM 803 CB ALA 101 7.537 -10.647 6.035 1.00 0.00 ATOM 804 O ALA 101 10.142 -8.956 4.951 1.00 0.00 ATOM 805 C ALA 101 9.479 -8.993 5.973 1.00 0.00 ATOM 806 N GLN 102 9.146 -7.878 6.645 1.00 0.00 ATOM 807 CA GLN 102 9.597 -6.566 6.196 1.00 0.00 ATOM 808 CB GLN 102 8.997 -5.431 6.970 1.00 0.00 ATOM 809 CG GLN 102 9.332 -4.060 6.412 1.00 0.00 ATOM 810 CD GLN 102 8.856 -3.882 4.982 1.00 0.00 ATOM 811 OE1 GLN 102 7.671 -4.041 4.686 1.00 0.00 ATOM 812 NE2 GLN 102 9.780 -3.549 4.087 1.00 0.00 ATOM 813 O GLN 102 11.776 -5.993 5.410 1.00 0.00 ATOM 814 C GLN 102 11.116 -6.514 6.298 1.00 0.00 ATOM 815 N ARG 103 11.659 -7.047 7.387 1.00 0.00 ATOM 816 CA ARG 103 13.110 -7.039 7.553 1.00 0.00 ATOM 817 CB ARG 103 13.406 -7.570 8.957 1.00 0.00 ATOM 818 CG ARG 103 14.833 -7.389 9.429 1.00 0.00 ATOM 819 CD ARG 103 14.868 -7.316 10.953 1.00 0.00 ATOM 820 NE ARG 103 14.032 -8.340 11.570 1.00 0.00 ATOM 821 CZ ARG 103 13.003 -8.086 12.374 1.00 0.00 ATOM 822 NH1 ARG 103 12.677 -6.833 12.669 1.00 0.00 ATOM 823 NH2 ARG 103 12.296 -9.086 12.882 1.00 0.00 ATOM 824 O ARG 103 14.870 -7.541 5.990 1.00 0.00 ATOM 825 C ARG 103 13.793 -7.883 6.480 1.00 0.00 ATOM 826 N GLN 104 13.151 -8.985 6.122 1.00 0.00 ATOM 827 CA GLN 104 13.668 -9.882 5.094 1.00 0.00 ATOM 828 CB GLN 104 12.789 -11.140 5.015 1.00 0.00 ATOM 829 CG GLN 104 13.215 -12.142 3.949 1.00 0.00 ATOM 830 CD GLN 104 14.610 -12.670 4.187 1.00 0.00 ATOM 831 OE1 GLN 104 15.612 -12.060 3.775 1.00 0.00 ATOM 832 NE2 GLN 104 14.692 -13.793 4.864 1.00 0.00 ATOM 833 O GLN 104 14.640 -9.255 2.994 1.00 0.00 ATOM 834 C GLN 104 13.672 -9.154 3.752 1.00 0.00 ATOM 835 N LEU 105 12.578 -8.452 3.415 1.00 0.00 ATOM 836 CA LEU 105 12.524 -7.726 2.151 1.00 0.00 ATOM 837 CB LEU 105 11.112 -7.127 1.955 1.00 0.00 ATOM 838 CG LEU 105 9.977 -8.158 1.848 1.00 0.00 ATOM 839 CD1 LEU 105 8.640 -7.445 1.668 1.00 0.00 ATOM 840 CD2 LEU 105 10.246 -9.095 0.676 1.00 0.00 ATOM 841 O LEU 105 14.135 -6.367 0.999 1.00 0.00 ATOM 842 C LEU 105 13.569 -6.619 2.063 1.00 0.00 ATOM 843 N ARG 106 13.827 -5.963 3.189 1.00 0.00 ATOM 844 CA ARG 106 14.825 -4.907 3.224 1.00 0.00 ATOM 845 CB ARG 106 14.916 -4.333 4.630 1.00 0.00 ATOM 846 CG ARG 106 15.943 -3.225 4.791 1.00 0.00 ATOM 847 CD ARG 106 15.910 -2.717 6.215 1.00 0.00 ATOM 848 NE ARG 106 14.572 -2.253 6.567 1.00 0.00 ATOM 849 CZ ARG 106 14.000 -2.437 7.751 1.00 0.00 ATOM 850 NH1 ARG 106 14.650 -3.085 8.711 1.00 0.00 ATOM 851 NH2 ARG 106 12.778 -1.973 7.976 1.00 0.00 ATOM 852 O ARG 106 16.939 -4.864 2.096 1.00 0.00 ATOM 853 C ARG 106 16.160 -5.503 2.803 1.00 0.00 TER END