PFRMAT TS TARGET T0380 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD METHOD Target T0380 was a fairly easy comparative modeling target. METHOD BLAST found an excellent hit to 2fhqA, and our HMMs found several more templates. METHOD METHOD The only difficulty was in deciding whether to believe the METHOD secondary-structure prediction for the C-terminus, which the neural METHOD nets believed should be helical, but which all the top alignments had METHOD as a strand. For the most part, we believe the alignments more than METHOD the neural net predictions, but we did include one model with a METHOD C-terminal helix. METHOD METHOD Model 1 is try4-opt2, the top-scoring model with several of the METHOD undertaker cost functions. It was optimized by undertaker from METHOD try3-opt2, in turn from try2-opt2, in turn from try1-opt2, which was METHOD automatically generated by undertaker from alignments and fragments. METHOD METHOD Model 2 is try5-opt2.gromacs0.repack-nonPC is the model that rosetta METHOD likes best of all the ones we had it repack sidechains for. It was METHOD created from try5-opt2 by reoptimizing with gromacs (to remove small METHOD clashes) and repacking the sidechains with rosetta. try5-opt2 was METHOD optimized by undertaker from try1-opt2.gromacs0.repack-nonPC. METHOD METHOD Model 3 is try9-opt2, optimized by undertaker from a chimera of METHOD try4-opt2 and try8-opt2 (M1-E124 from try4-opt2, W125-Y145 from METHOD try8-opt2). try8-opt2 was optimized by undertaker from a chimera of try4-opt2 and METHOD try6-opt2, with M1-I19 from try4-opt2 and V20-Y145 from try6-opt2. METHOD try6-opt2 was optimized by undertaker from alignments, but using a METHOD cost function that had too high a weight on clashes and breaks for METHOD optimization from alignments, so the try6 and try8 models were not METHOD very good. They were only kept because they had the C-terminal METHOD helix. Pating the C-terminal helix onto try4 resulting in a plausible METHOD model, though not as likely as the C-terminal strand models. METHOD METHOD Model 4 is try3-opt2, an earlier stage in the optimization process. METHOD METHOD Model 5 is sidechain replacement by SCWRL on an alignment to 2fhqA. METHOD METHOD REMARK 6 REMARK 6 T0380 model 5 Tue Aug 1 15:48:57 2006 MODEL 5 PARENT 2fhq_A ATOM 2 N PHE 6 17.931 5.266 -3.823 1.00 0.00 ATOM 3 CA PHE 6 16.559 5.501 -4.249 1.00 0.00 ATOM 4 CB PHE 6 16.317 4.894 -5.633 1.00 0.00 ATOM 5 CG PHE 6 14.917 5.088 -6.143 1.00 0.00 ATOM 6 CD1 PHE 6 14.524 6.299 -6.687 1.00 0.00 ATOM 7 CD2 PHE 6 13.993 4.060 -6.078 1.00 0.00 ATOM 8 CE1 PHE 6 13.237 6.476 -7.156 1.00 0.00 ATOM 9 CE2 PHE 6 12.705 4.238 -6.547 1.00 0.00 ATOM 10 CZ PHE 6 12.326 5.439 -7.086 1.00 0.00 ATOM 11 O PHE 6 14.502 5.482 -2.944 1.00 0.00 ATOM 12 C PHE 6 15.536 4.867 -3.269 1.00 0.00 ATOM 13 N LEU 7 15.811 3.650 -2.809 1.00 0.00 ATOM 14 CA LEU 7 14.910 2.993 -1.844 1.00 0.00 ATOM 15 CB LEU 7 15.438 1.605 -1.479 1.00 0.00 ATOM 16 CG LEU 7 14.609 0.808 -0.468 1.00 0.00 ATOM 17 CD1 LEU 7 13.213 0.540 -1.011 1.00 0.00 ATOM 18 CD2 LEU 7 15.268 -0.528 -0.166 1.00 0.00 ATOM 19 O LEU 7 13.631 4.002 -0.070 1.00 0.00 ATOM 20 C LEU 7 14.752 3.762 -0.541 1.00 0.00 ATOM 21 N ILE 8 15.874 4.177 0.029 1.00 0.00 ATOM 22 CA ILE 8 15.890 4.947 1.263 1.00 0.00 ATOM 23 CB ILE 8 17.329 5.220 1.740 1.00 0.00 ATOM 24 CG1 ILE 8 18.002 3.917 2.178 1.00 0.00 ATOM 25 CG2 ILE 8 17.325 6.181 2.919 1.00 0.00 ATOM 26 CD1 ILE 8 19.492 4.049 2.407 1.00 0.00 ATOM 27 O ILE 8 14.485 6.782 2.006 1.00 0.00 ATOM 28 C ILE 8 15.201 6.314 1.106 1.00 0.00 ATOM 29 N GLU 9 15.415 6.946 -0.041 1.00 0.00 ATOM 30 CA GLU 9 14.732 8.197 -0.382 1.00 0.00 ATOM 31 CB GLU 9 15.226 8.728 -1.729 1.00 0.00 ATOM 32 CG GLU 9 16.648 9.261 -1.703 1.00 0.00 ATOM 33 CD GLU 9 17.146 9.662 -3.077 1.00 0.00 ATOM 34 OE1 GLU 9 16.406 9.455 -4.061 1.00 0.00 ATOM 35 OE2 GLU 9 18.277 10.185 -3.171 1.00 0.00 ATOM 36 O GLU 9 12.425 8.865 -0.034 1.00 0.00 ATOM 37 C GLU 9 13.203 8.007 -0.483 1.00 0.00 ATOM 38 N SER 10 12.795 6.886 -1.087 1.00 0.00 ATOM 39 CA SER 10 11.389 6.544 -1.227 1.00 0.00 ATOM 40 CB SER 10 11.226 5.275 -2.066 1.00 0.00 ATOM 41 OG SER 10 11.645 5.491 -3.403 1.00 0.00 ATOM 42 O SER 10 9.578 6.691 0.350 1.00 0.00 ATOM 43 C SER 10 10.720 6.292 0.131 1.00 0.00 ATOM 44 N ASN 11 11.432 5.632 1.041 1.00 0.00 ATOM 45 CA ASN 11 10.924 5.415 2.405 1.00 0.00 ATOM 46 CB ASN 11 11.952 4.654 3.245 1.00 0.00 ATOM 47 CG ASN 11 12.059 3.193 2.853 1.00 0.00 ATOM 48 ND2 ASN 11 13.166 2.561 3.226 1.00 0.00 ATOM 49 OD1 ASN 11 11.156 2.642 2.223 1.00 0.00 ATOM 50 O ASN 11 9.550 6.977 3.637 1.00 0.00 ATOM 51 C ASN 11 10.637 6.760 3.083 1.00 0.00 ATOM 52 N GLU 12 11.594 7.687 2.976 1.00 0.00 ATOM 53 CA GLU 12 11.426 9.039 3.494 1.00 0.00 ATOM 54 CB GLU 12 12.651 9.895 3.167 1.00 0.00 ATOM 55 CG GLU 12 13.897 9.519 3.950 1.00 0.00 ATOM 56 CD GLU 12 15.119 10.305 3.514 1.00 0.00 ATOM 57 OE1 GLU 12 15.006 11.088 2.548 1.00 0.00 ATOM 58 OE2 GLU 12 16.188 10.136 4.137 1.00 0.00 ATOM 59 O GLU 12 9.448 10.388 3.617 1.00 0.00 ATOM 60 C GLU 12 10.208 9.744 2.905 1.00 0.00 ATOM 61 N LEU 13 10.048 9.621 1.593 1.00 0.00 ATOM 62 CA LEU 13 8.923 10.206 0.863 1.00 0.00 ATOM 63 CB LEU 13 9.021 9.875 -0.627 1.00 0.00 ATOM 64 CG LEU 13 7.896 10.412 -1.516 1.00 0.00 ATOM 65 CD1 LEU 13 7.858 11.931 -1.479 1.00 0.00 ATOM 66 CD2 LEU 13 8.097 9.975 -2.960 1.00 0.00 ATOM 67 O LEU 13 6.624 10.417 1.613 1.00 0.00 ATOM 68 C LEU 13 7.583 9.659 1.390 1.00 0.00 ATOM 69 N VAL 14 7.531 8.334 1.565 1.00 0.00 ATOM 70 CA VAL 14 6.312 7.642 1.994 1.00 0.00 ATOM 71 CB VAL 14 6.519 6.117 2.048 1.00 0.00 ATOM 72 CG1 VAL 14 5.314 5.438 2.682 1.00 0.00 ATOM 73 CG2 VAL 14 6.706 5.555 0.647 1.00 0.00 ATOM 74 O VAL 14 4.730 8.385 3.606 1.00 0.00 ATOM 75 C VAL 14 5.902 8.106 3.371 1.00 0.00 ATOM 76 N GLU 15 6.873 8.184 4.275 1.00 0.00 ATOM 77 CA GLU 15 6.620 8.645 5.643 1.00 0.00 ATOM 78 CB GLU 15 7.935 8.783 6.414 1.00 0.00 ATOM 79 CG GLU 15 8.603 7.458 6.743 1.00 0.00 ATOM 80 CD GLU 15 9.963 7.636 7.387 1.00 0.00 ATOM 81 OE1 GLU 15 10.414 8.795 7.513 1.00 0.00 ATOM 82 OE2 GLU 15 10.580 6.618 7.764 1.00 0.00 ATOM 83 O GLU 15 5.214 10.346 6.623 1.00 0.00 ATOM 84 C GLU 15 5.918 10.011 5.660 1.00 0.00 ATOM 85 N SER 16 6.071 10.768 4.575 1.00 0.00 ATOM 86 CA SER 16 5.441 12.090 4.437 1.00 0.00 ATOM 87 CB SER 16 6.287 12.997 3.543 1.00 0.00 ATOM 88 OG SER 16 7.562 13.233 4.115 1.00 0.00 ATOM 89 O SER 16 3.310 13.020 3.882 1.00 0.00 ATOM 90 C SER 16 4.049 12.034 3.821 1.00 0.00 ATOM 91 N SER 17 3.701 10.903 3.205 1.00 0.00 ATOM 92 CA SER 17 2.410 10.756 2.534 1.00 0.00 ATOM 93 CB SER 17 2.561 9.935 1.253 1.00 0.00 ATOM 94 OG SER 17 3.375 10.609 0.307 1.00 0.00 ATOM 95 O SER 17 1.720 9.007 4.027 1.00 0.00 ATOM 96 C SER 17 1.408 10.049 3.438 1.00 0.00 ATOM 97 N LYS 18 0.212 10.610 3.568 1.00 0.00 ATOM 98 CA LYS 18 -0.855 9.907 4.284 1.00 0.00 ATOM 99 CB LYS 18 -1.622 10.875 5.187 1.00 0.00 ATOM 100 CG LYS 18 -0.791 11.463 6.315 1.00 0.00 ATOM 101 CD LYS 18 -1.609 12.429 7.158 1.00 0.00 ATOM 102 CE LYS 18 -0.780 13.011 8.291 1.00 0.00 ATOM 103 NZ LYS 18 -1.588 13.898 9.172 1.00 0.00 ATOM 104 O LYS 18 -2.733 8.520 3.703 1.00 0.00 ATOM 105 C LYS 18 -1.846 9.278 3.305 1.00 0.00 ATOM 106 N ILE 19 -1.662 9.583 2.021 1.00 0.00 ATOM 107 CA ILE 19 -2.520 9.091 0.953 1.00 0.00 ATOM 108 CB ILE 19 -3.343 10.229 0.321 1.00 0.00 ATOM 109 CG1 ILE 19 -4.256 10.871 1.368 1.00 0.00 ATOM 110 CG2 ILE 19 -4.209 9.696 -0.810 1.00 0.00 ATOM 111 CD1 ILE 19 -4.931 12.141 0.893 1.00 0.00 ATOM 112 O ILE 19 -0.537 8.941 -0.439 1.00 0.00 ATOM 113 C ILE 19 -1.639 8.450 -0.137 1.00 0.00 ATOM 114 N VAL 20 -2.125 7.345 -0.699 1.00 0.00 ATOM 115 CA VAL 20 -1.471 6.681 -1.821 1.00 0.00 ATOM 116 CB VAL 20 -0.811 5.359 -1.389 1.00 0.00 ATOM 117 CG1 VAL 20 0.267 5.617 -0.347 1.00 0.00 ATOM 118 CG2 VAL 20 -1.845 4.419 -0.788 1.00 0.00 ATOM 119 O VAL 20 -3.730 6.532 -2.535 1.00 0.00 ATOM 120 C VAL 20 -2.556 6.411 -2.850 1.00 0.00 ATOM 121 N MET 21 -2.173 6.075 -4.075 1.00 0.00 ATOM 122 CA MET 21 -3.150 5.612 -5.065 1.00 0.00 ATOM 123 CB MET 21 -3.005 6.397 -6.369 1.00 0.00 ATOM 124 CG MET 21 -3.281 7.886 -6.232 1.00 0.00 ATOM 125 SD MET 21 -3.136 8.767 -7.797 1.00 0.00 ATOM 126 CE MET 21 -3.423 10.454 -7.263 1.00 0.00 ATOM 127 O MET 21 -1.792 3.728 -5.707 1.00 0.00 ATOM 128 C MET 21 -2.917 4.132 -5.346 1.00 0.00 ATOM 129 N VAL 22 -3.979 3.341 -5.213 1.00 0.00 ATOM 130 CA VAL 22 -3.899 1.883 -5.316 1.00 0.00 ATOM 131 CB VAL 22 -4.495 1.195 -4.073 1.00 0.00 ATOM 132 CG1 VAL 22 -4.444 -0.317 -4.226 1.00 0.00 ATOM 133 CG2 VAL 22 -3.715 1.579 -2.827 1.00 0.00 ATOM 134 O VAL 22 -5.792 1.961 -6.752 1.00 0.00 ATOM 135 C VAL 22 -4.675 1.468 -6.540 1.00 0.00 ATOM 136 N GLY 23 -4.080 0.612 -7.370 1.00 0.00 ATOM 137 CA GLY 23 -4.767 0.042 -8.521 1.00 0.00 ATOM 138 O GLY 23 -4.041 -2.187 -7.982 1.00 0.00 ATOM 139 C GLY 23 -4.947 -1.462 -8.403 1.00 0.00 ATOM 140 N THR 24 -6.127 -1.916 -8.793 1.00 0.00 ATOM 141 CA THR 24 -6.410 -3.322 -8.991 1.00 0.00 ATOM 142 CB THR 24 -7.652 -3.765 -8.194 1.00 0.00 ATOM 143 CG2 THR 24 -7.482 -3.441 -6.718 1.00 0.00 ATOM 144 OG1 THR 24 -8.809 -3.080 -8.690 1.00 0.00 ATOM 145 O THR 24 -6.690 -2.511 -11.215 1.00 0.00 ATOM 146 C THR 24 -6.651 -3.492 -10.482 1.00 0.00 ATOM 147 N ASN 25 -6.816 -4.734 -10.915 1.00 0.00 ATOM 148 CA ASN 25 -7.316 -5.038 -12.235 1.00 0.00 ATOM 149 CB ASN 25 -6.355 -5.972 -12.972 1.00 0.00 ATOM 150 CG ASN 25 -4.996 -5.341 -13.204 1.00 0.00 ATOM 151 ND2 ASN 25 -3.966 -5.917 -12.594 1.00 0.00 ATOM 152 OD1 ASN 25 -4.876 -4.350 -13.925 1.00 0.00 ATOM 153 O ASN 25 -8.781 -6.701 -11.276 1.00 0.00 ATOM 154 C ASN 25 -8.679 -5.719 -12.033 1.00 0.00 ATOM 155 N GLY 26 -9.719 -5.196 -12.677 1.00 0.00 ATOM 156 CA GLY 26 -11.029 -5.825 -12.535 1.00 0.00 ATOM 157 O GLY 26 -10.242 -7.397 -14.196 1.00 0.00 ATOM 158 C GLY 26 -11.153 -7.070 -13.426 1.00 0.00 ATOM 159 N GLU 27 -12.268 -7.782 -13.304 1.00 0.00 ATOM 160 CA GLU 27 -12.407 -9.023 -14.047 1.00 0.00 ATOM 161 CB GLU 27 -13.735 -9.703 -13.708 1.00 0.00 ATOM 162 CG GLU 27 -13.790 -10.292 -12.308 1.00 0.00 ATOM 163 CD GLU 27 -15.149 -10.879 -11.977 1.00 0.00 ATOM 164 OE1 GLU 27 -16.071 -10.748 -12.809 1.00 0.00 ATOM 165 OE2 GLU 27 -15.290 -11.470 -10.885 1.00 0.00 ATOM 166 O GLU 27 -12.082 -9.741 -16.300 1.00 0.00 ATOM 167 C GLU 27 -12.379 -8.814 -15.560 1.00 0.00 ATOM 168 N ASN 28 -12.679 -7.598 -16.011 1.00 0.00 ATOM 169 CA ASN 28 -12.650 -7.296 -17.443 1.00 0.00 ATOM 170 CB ASN 28 -13.628 -6.167 -17.772 1.00 0.00 ATOM 171 CG ASN 28 -15.077 -6.593 -17.639 1.00 0.00 ATOM 172 ND2 ASN 28 -15.949 -5.633 -17.350 1.00 0.00 ATOM 173 OD1 ASN 28 -15.405 -7.768 -17.794 1.00 0.00 ATOM 174 O ASN 28 -11.166 -6.552 -19.162 1.00 0.00 ATOM 175 C ASN 28 -11.282 -6.848 -17.980 1.00 0.00 ATOM 176 N GLY 29 -10.267 -6.792 -17.113 1.00 0.00 ATOM 177 CA GLY 29 -8.904 -6.429 -17.512 1.00 0.00 ATOM 178 O GLY 29 -7.501 -4.512 -17.780 1.00 0.00 ATOM 179 C GLY 29 -8.579 -4.944 -17.383 1.00 0.00 ATOM 180 N TYR 30 -9.505 -4.165 -16.821 1.00 0.00 ATOM 181 CA TYR 30 -9.311 -2.712 -16.633 1.00 0.00 ATOM 182 CB TYR 30 -10.661 -1.990 -16.614 1.00 0.00 ATOM 183 CG TYR 30 -11.351 -1.947 -17.958 1.00 0.00 ATOM 184 CD1 TYR 30 -12.291 -2.911 -18.304 1.00 0.00 ATOM 185 CD2 TYR 30 -11.062 -0.947 -18.875 1.00 0.00 ATOM 186 CE1 TYR 30 -12.927 -2.881 -19.532 1.00 0.00 ATOM 187 CE2 TYR 30 -11.689 -0.900 -20.106 1.00 0.00 ATOM 188 CZ TYR 30 -12.628 -1.879 -20.429 1.00 0.00 ATOM 189 OH TYR 30 -13.261 -1.846 -21.652 1.00 0.00 ATOM 190 O TYR 30 -9.018 -2.911 -14.289 1.00 0.00 ATOM 191 C TYR 30 -8.608 -2.418 -15.336 1.00 0.00 ATOM 192 N PRO 31 -7.548 -1.582 -15.383 1.00 0.00 ATOM 193 CA PRO 31 -6.912 -1.189 -14.123 1.00 0.00 ATOM 194 CB PRO 31 -5.531 -0.686 -14.547 1.00 0.00 ATOM 195 CG PRO 31 -5.726 -0.186 -15.939 1.00 0.00 ATOM 196 CD PRO 31 -6.766 -1.074 -16.559 1.00 0.00 ATOM 197 O PRO 31 -8.340 0.729 -14.172 1.00 0.00 ATOM 198 C PRO 31 -7.758 -0.094 -13.470 1.00 0.00 ATOM 199 N ASN 32 -7.826 -0.096 -12.137 1.00 0.00 ATOM 200 CA ASN 32 -8.720 0.786 -11.387 1.00 0.00 ATOM 201 CB ASN 32 -9.851 -0.019 -10.745 1.00 0.00 ATOM 202 CG ASN 32 -10.717 -0.725 -11.769 1.00 0.00 ATOM 203 ND2 ASN 32 -11.744 -0.033 -12.252 1.00 0.00 ATOM 204 OD1 ASN 32 -10.466 -1.877 -12.121 1.00 0.00 ATOM 205 O ASN 32 -7.841 0.965 -9.190 1.00 0.00 ATOM 206 C ASN 32 -7.933 1.490 -10.296 1.00 0.00 ATOM 207 N ILE 33 -7.372 2.679 -10.600 1.00 0.00 ATOM 208 CA ILE 33 -6.641 3.458 -9.612 1.00 0.00 ATOM 209 CB ILE 33 -5.730 4.506 -10.279 1.00 0.00 ATOM 210 CG1 ILE 33 -4.668 3.819 -11.141 1.00 0.00 ATOM 211 CG2 ILE 33 -5.026 5.348 -9.226 1.00 0.00 ATOM 212 CD1 ILE 33 -3.881 4.771 -12.012 1.00 0.00 ATOM 213 O ILE 33 -8.606 4.765 -9.155 1.00 0.00 ATOM 214 C ILE 33 -7.623 4.199 -8.686 1.00 0.00 ATOM 215 N LYS 34 -7.386 4.147 -7.382 1.00 0.00 ATOM 216 CA LYS 34 -8.211 4.887 -6.414 1.00 0.00 ATOM 217 CB LYS 34 -9.281 3.975 -5.814 1.00 0.00 ATOM 218 CG LYS 34 -10.338 3.520 -6.807 1.00 0.00 ATOM 219 CD LYS 34 -11.418 2.695 -6.127 1.00 0.00 ATOM 220 CE LYS 34 -12.476 2.243 -7.121 1.00 0.00 ATOM 221 NZ LYS 34 -13.526 1.408 -6.472 1.00 0.00 ATOM 222 O LYS 34 -6.390 4.742 -4.857 1.00 0.00 ATOM 223 C LYS 34 -7.321 5.421 -5.281 1.00 0.00 ATOM 224 N ALA 35 -7.574 6.660 -4.820 1.00 0.00 ATOM 225 CA ALA 35 -6.850 7.166 -3.658 1.00 0.00 ATOM 226 CB ALA 35 -7.132 8.646 -3.459 1.00 0.00 ATOM 227 O ALA 35 -8.429 6.172 -2.163 1.00 0.00 ATOM 228 C ALA 35 -7.246 6.444 -2.375 1.00 0.00 ATOM 229 N MET 36 -6.258 6.143 -1.532 1.00 0.00 ATOM 230 CA MET 36 -6.476 5.365 -0.330 1.00 0.00 ATOM 231 CB MET 36 -6.035 3.916 -0.545 1.00 0.00 ATOM 232 CG MET 36 -6.868 3.157 -1.563 1.00 0.00 ATOM 233 SD MET 36 -8.548 2.836 -0.989 1.00 0.00 ATOM 234 CE MET 36 -8.249 1.575 0.246 1.00 0.00 ATOM 235 O MET 36 -4.541 6.408 0.589 1.00 0.00 ATOM 236 C MET 36 -5.671 5.972 0.798 1.00 0.00 ATOM 237 N MET 37 -6.214 5.954 2.013 1.00 0.00 ATOM 238 CA MET 37 -5.416 6.410 3.141 1.00 0.00 ATOM 239 CB MET 37 -6.308 6.682 4.354 1.00 0.00 ATOM 240 CG MET 37 -7.324 7.792 4.142 1.00 0.00 ATOM 241 SD MET 37 -6.554 9.371 3.734 1.00 0.00 ATOM 242 CE MET 37 -5.736 9.759 5.280 1.00 0.00 ATOM 243 O MET 37 -4.798 4.137 3.455 1.00 0.00 ATOM 244 C MET 37 -4.428 5.307 3.453 1.00 0.00 ATOM 245 N ARG 38 -3.186 5.700 3.717 1.00 0.00 ATOM 246 CA ARG 38 -2.120 4.798 4.112 1.00 0.00 ATOM 247 CB ARG 38 -0.756 5.387 3.744 1.00 0.00 ATOM 248 CG ARG 38 0.419 4.481 4.073 1.00 0.00 ATOM 249 CD ARG 38 1.724 5.054 3.543 1.00 0.00 ATOM 250 NE ARG 38 2.095 6.292 4.226 1.00 0.00 ATOM 251 CZ ARG 38 2.691 6.338 5.413 1.00 0.00 ATOM 252 NH1 ARG 38 2.994 7.508 5.958 1.00 0.00 ATOM 253 NH2 ARG 38 2.987 5.214 6.053 1.00 0.00 ATOM 254 O ARG 38 -1.996 5.580 6.376 1.00 0.00 ATOM 255 C ARG 38 -2.233 4.623 5.623 1.00 0.00 ATOM 256 N LEU 39 -2.605 3.428 6.083 1.00 0.00 ATOM 257 CA LEU 39 -2.789 3.285 7.521 1.00 0.00 ATOM 258 CB LEU 39 -3.775 2.154 7.825 1.00 0.00 ATOM 259 CG LEU 39 -5.199 2.338 7.300 1.00 0.00 ATOM 260 CD1 LEU 39 -6.041 1.105 7.588 1.00 0.00 ATOM 261 CD2 LEU 39 -5.867 3.534 7.962 1.00 0.00 ATOM 262 O LEU 39 -1.196 3.459 9.322 1.00 0.00 ATOM 263 C LEU 39 -1.465 2.959 8.228 1.00 0.00 ATOM 264 N LYS 40 -0.612 2.201 7.552 1.00 0.00 ATOM 265 CA LYS 40 0.722 1.889 8.043 1.00 0.00 ATOM 266 CB LYS 40 0.656 0.805 9.121 1.00 0.00 ATOM 267 CG LYS 40 0.165 -0.543 8.616 1.00 0.00 ATOM 268 CD LYS 40 0.138 -1.574 9.732 1.00 0.00 ATOM 269 CE LYS 40 -0.368 -2.917 9.231 1.00 0.00 ATOM 270 NZ LYS 40 -0.399 -3.938 10.314 1.00 0.00 ATOM 271 O LYS 40 1.080 0.930 5.892 1.00 0.00 ATOM 272 C LYS 40 1.589 1.387 6.890 1.00 0.00 ATOM 273 N HIS 41 2.902 1.466 7.057 1.00 0.00 ATOM 274 CA HIS 41 3.847 0.914 6.093 1.00 0.00 ATOM 275 CB HIS 41 4.216 1.962 5.042 1.00 0.00 ATOM 276 CG HIS 41 4.955 3.141 5.598 1.00 0.00 ATOM 277 CD2 HIS 41 6.354 3.522 5.727 1.00 0.00 ATOM 278 ND1 HIS 41 4.314 4.221 6.166 1.00 0.00 ATOM 279 CE1 HIS 41 5.236 5.114 6.570 1.00 0.00 ATOM 280 NE2 HIS 41 6.461 4.701 6.310 1.00 0.00 ATOM 281 O HIS 41 5.553 1.066 7.776 1.00 0.00 ATOM 282 C HIS 41 5.130 0.461 6.786 1.00 0.00 ATOM 283 N ASP 42 5.731 -0.608 6.268 1.00 0.00 ATOM 284 CA ASP 42 7.026 -1.114 6.725 1.00 0.00 ATOM 285 CB ASP 42 6.943 -2.612 7.021 1.00 0.00 ATOM 286 CG ASP 42 8.203 -3.149 7.673 1.00 0.00 ATOM 287 OD1 ASP 42 9.042 -2.331 8.105 1.00 0.00 ATOM 288 OD2 ASP 42 8.349 -4.388 7.752 1.00 0.00 ATOM 289 O ASP 42 7.907 -1.513 4.533 1.00 0.00 ATOM 290 C ASP 42 7.976 -0.820 5.557 1.00 0.00 ATOM 294 N LYS 45 8.213 -1.744 1.522 1.00 0.00 ATOM 295 CA LYS 45 8.013 -3.168 1.285 1.00 0.00 ATOM 296 CB LYS 45 8.907 -3.997 2.210 1.00 0.00 ATOM 297 CG LYS 45 10.387 -3.921 1.874 1.00 0.00 ATOM 298 CD LYS 45 11.214 -4.768 2.829 1.00 0.00 ATOM 299 CE LYS 45 12.696 -4.673 2.508 1.00 0.00 ATOM 300 NZ LYS 45 13.522 -5.470 3.457 1.00 0.00 ATOM 301 O LYS 45 6.051 -4.443 0.802 1.00 0.00 ATOM 302 C LYS 45 6.581 -3.614 1.527 1.00 0.00 ATOM 303 N LYS 46 5.956 -3.084 2.573 1.00 0.00 ATOM 304 CA LYS 46 4.606 -3.492 2.924 1.00 0.00 ATOM 305 CB LYS 46 4.621 -4.386 4.165 1.00 0.00 ATOM 306 CG LYS 46 5.326 -5.718 3.962 1.00 0.00 ATOM 307 CD LYS 46 5.270 -6.569 5.219 1.00 0.00 ATOM 308 CE LYS 46 6.045 -7.864 5.043 1.00 0.00 ATOM 309 NZ LYS 46 6.005 -8.707 6.271 1.00 0.00 ATOM 310 O LYS 46 4.240 -1.391 3.936 1.00 0.00 ATOM 311 C LYS 46 3.801 -2.247 3.204 1.00 0.00 ATOM 312 N PHE 47 2.618 -2.162 2.615 1.00 0.00 ATOM 313 CA PHE 47 1.786 -0.990 2.830 1.00 0.00 ATOM 314 CB PHE 47 1.769 -0.108 1.580 1.00 0.00 ATOM 315 CG PHE 47 3.122 0.417 1.192 1.00 0.00 ATOM 316 CD1 PHE 47 3.911 -0.265 0.284 1.00 0.00 ATOM 317 CD2 PHE 47 3.604 1.596 1.734 1.00 0.00 ATOM 318 CE1 PHE 47 5.156 0.219 -0.074 1.00 0.00 ATOM 319 CE2 PHE 47 4.849 2.079 1.377 1.00 0.00 ATOM 320 CZ PHE 47 5.623 1.396 0.477 1.00 0.00 ATOM 321 O PHE 47 -0.172 -2.299 2.435 1.00 0.00 ATOM 322 C PHE 47 0.372 -1.454 3.142 1.00 0.00 ATOM 323 N TRP 48 -0.198 -0.896 4.217 1.00 0.00 ATOM 324 CA TRP 48 -1.479 -1.330 4.764 1.00 0.00 ATOM 325 CB TRP 48 -1.373 -1.532 6.277 1.00 0.00 ATOM 326 CG TRP 48 -0.523 -2.702 6.669 1.00 0.00 ATOM 327 CD1 TRP 48 0.819 -2.693 6.917 1.00 0.00 ATOM 328 CD2 TRP 48 -0.959 -4.054 6.856 1.00 0.00 ATOM 329 CE2 TRP 48 0.175 -4.810 7.217 1.00 0.00 ATOM 330 CE3 TRP 48 -2.193 -4.700 6.752 1.00 0.00 ATOM 331 NE1 TRP 48 1.249 -3.955 7.248 1.00 0.00 ATOM 332 CZ2 TRP 48 0.109 -6.178 7.477 1.00 0.00 ATOM 333 CZ3 TRP 48 -2.254 -6.057 7.012 1.00 0.00 ATOM 334 CH2 TRP 48 -1.112 -6.783 7.368 1.00 0.00 ATOM 335 O TRP 48 -2.377 0.866 4.806 1.00 0.00 ATOM 336 C TRP 48 -2.560 -0.309 4.502 1.00 0.00 ATOM 337 N LEU 49 -3.692 -0.772 3.978 1.00 0.00 ATOM 338 CA LEU 49 -4.880 0.050 3.774 1.00 0.00 ATOM 339 CB LEU 49 -5.091 0.326 2.284 1.00 0.00 ATOM 340 CG LEU 49 -3.967 1.078 1.567 1.00 0.00 ATOM 341 CD1 LEU 49 -4.210 1.107 0.066 1.00 0.00 ATOM 342 CD2 LEU 49 -3.879 2.514 2.063 1.00 0.00 ATOM 343 O LEU 49 -6.074 -1.838 4.653 1.00 0.00 ATOM 344 C LEU 49 -6.127 -0.668 4.320 1.00 0.00 ATOM 345 N SER 50 -7.241 0.040 4.416 1.00 0.00 ATOM 346 CA SER 50 -8.475 -0.611 4.825 1.00 0.00 ATOM 347 CB SER 50 -8.976 -0.027 6.147 1.00 0.00 ATOM 348 OG SER 50 -9.301 1.346 6.009 1.00 0.00 ATOM 349 O SER 50 -9.378 0.526 2.917 1.00 0.00 ATOM 350 C SER 50 -9.515 -0.386 3.749 1.00 0.00 ATOM 351 N THR 51 -10.541 -1.234 3.744 1.00 0.00 ATOM 352 CA THR 51 -11.618 -1.169 2.760 1.00 0.00 ATOM 353 CB THR 51 -11.173 -1.735 1.399 1.00 0.00 ATOM 354 CG2 THR 51 -10.981 -3.242 1.486 1.00 0.00 ATOM 355 OG1 THR 51 -12.170 -1.450 0.409 1.00 0.00 ATOM 356 O THR 51 -12.692 -2.669 4.257 1.00 0.00 ATOM 357 C THR 51 -12.808 -1.989 3.268 1.00 0.00 ATOM 358 N ASN 52 -13.957 -1.861 2.613 1.00 0.00 ATOM 359 CA ASN 52 -15.136 -2.705 2.923 1.00 0.00 ATOM 360 CB ASN 52 -16.398 -2.117 2.286 1.00 0.00 ATOM 361 CG ASN 52 -16.852 -0.841 2.966 1.00 0.00 ATOM 362 ND2 ASN 52 -17.644 -0.044 2.257 1.00 0.00 ATOM 363 OD1 ASN 52 -16.496 -0.576 4.114 1.00 0.00 ATOM 364 O ASN 52 -14.392 -4.391 1.373 1.00 0.00 ATOM 365 C ASN 52 -15.008 -4.135 2.412 1.00 0.00 ATOM 366 N THR 53 -15.621 -5.073 3.115 1.00 0.00 ATOM 367 CA THR 53 -15.583 -6.470 2.705 1.00 0.00 ATOM 368 CB THR 53 -16.302 -7.375 3.723 1.00 0.00 ATOM 369 CG2 THR 53 -16.323 -8.814 3.233 1.00 0.00 ATOM 370 OG1 THR 53 -15.617 -7.324 4.981 1.00 0.00 ATOM 371 O THR 53 -15.953 -7.630 0.652 1.00 0.00 ATOM 372 C THR 53 -16.261 -6.675 1.355 1.00 0.00 ATOM 373 N SER 54 -17.148 -5.759 0.980 1.00 0.00 ATOM 374 CA SER 54 -17.854 -5.839 -0.314 1.00 0.00 ATOM 375 CB SER 54 -19.361 -5.672 -0.112 1.00 0.00 ATOM 376 OG SER 54 -19.663 -4.414 0.467 1.00 0.00 ATOM 377 O SER 54 -18.127 -4.540 -2.312 1.00 0.00 ATOM 378 C SER 54 -17.428 -4.774 -1.321 1.00 0.00 ATOM 379 N THR 55 -16.284 -4.129 -1.072 1.00 0.00 ATOM 380 CA THR 55 -15.828 -3.046 -1.944 1.00 0.00 ATOM 381 CB THR 55 -14.627 -2.299 -1.334 1.00 0.00 ATOM 382 CG2 THR 55 -14.992 -1.727 0.028 1.00 0.00 ATOM 383 OG1 THR 55 -13.527 -3.203 -1.178 1.00 0.00 ATOM 384 O THR 55 -15.023 -4.789 -3.376 1.00 0.00 ATOM 385 C THR 55 -15.402 -3.622 -3.299 1.00 0.00 ATOM 386 N ARG 56 -15.438 -2.797 -4.346 1.00 0.00 ATOM 387 CA ARG 56 -14.925 -3.197 -5.658 1.00 0.00 ATOM 388 CB ARG 56 -15.016 -2.032 -6.647 1.00 0.00 ATOM 389 CG ARG 56 -16.436 -1.691 -7.074 1.00 0.00 ATOM 390 CD ARG 56 -16.460 -0.482 -7.995 1.00 0.00 ATOM 391 NE ARG 56 -17.818 -0.123 -8.391 1.00 0.00 ATOM 392 CZ ARG 56 -18.126 0.937 -9.134 1.00 0.00 ATOM 393 NH1 ARG 56 -19.389 1.183 -9.445 1.00 0.00 ATOM 394 NH2 ARG 56 -17.166 1.745 -9.563 1.00 0.00 ATOM 395 O ARG 56 -13.059 -4.584 -6.244 1.00 0.00 ATOM 396 C ARG 56 -13.457 -3.634 -5.585 1.00 0.00 ATOM 397 N MET 57 -12.650 -2.932 -4.792 1.00 0.00 ATOM 398 CA MET 57 -11.259 -3.328 -4.573 1.00 0.00 ATOM 399 CB MET 57 -10.586 -2.388 -3.570 1.00 0.00 ATOM 400 CG MET 57 -10.356 -0.980 -4.096 1.00 0.00 ATOM 401 SD MET 57 -9.683 0.129 -2.844 1.00 0.00 ATOM 402 CE MET 57 -8.044 -0.558 -2.629 1.00 0.00 ATOM 403 O MET 57 -10.426 -5.589 -4.555 1.00 0.00 ATOM 404 C MET 57 -11.168 -4.754 -4.021 1.00 0.00 ATOM 405 N VAL 58 -11.924 -5.045 -2.954 1.00 0.00 ATOM 406 CA VAL 58 -11.932 -6.399 -2.413 1.00 0.00 ATOM 407 CB VAL 58 -12.924 -6.532 -1.244 1.00 0.00 ATOM 408 CG1 VAL 58 -13.064 -7.989 -0.827 1.00 0.00 ATOM 409 CG2 VAL 58 -12.442 -5.734 -0.042 1.00 0.00 ATOM 410 O VAL 58 -11.686 -8.401 -3.628 1.00 0.00 ATOM 411 C VAL 58 -12.334 -7.404 -3.476 1.00 0.00 ATOM 412 N GLU 59 -13.374 -7.119 -4.240 1.00 0.00 ATOM 413 CA GLU 59 -13.834 -8.048 -5.283 1.00 0.00 ATOM 414 CB GLU 59 -15.049 -7.473 -6.015 1.00 0.00 ATOM 415 CG GLU 59 -15.620 -8.391 -7.084 1.00 0.00 ATOM 416 CD GLU 59 -16.842 -7.802 -7.762 1.00 0.00 ATOM 417 OE1 GLU 59 -17.250 -6.683 -7.387 1.00 0.00 ATOM 418 OE2 GLU 59 -17.391 -8.462 -8.669 1.00 0.00 ATOM 419 O GLU 59 -12.432 -9.468 -6.666 1.00 0.00 ATOM 420 C GLU 59 -12.731 -8.310 -6.324 1.00 0.00 ATOM 421 N ARG 60 -12.094 -7.242 -6.809 1.00 0.00 ATOM 422 CA ARG 60 -10.971 -7.407 -7.743 1.00 0.00 ATOM 423 CB ARG 60 -10.344 -6.051 -8.075 1.00 0.00 ATOM 424 CG ARG 60 -11.245 -5.134 -8.888 1.00 0.00 ATOM 425 CD ARG 60 -10.511 -3.871 -9.308 1.00 0.00 ATOM 426 NE ARG 60 -11.379 -2.952 -10.038 1.00 0.00 ATOM 427 CZ ARG 60 -12.088 -1.983 -9.470 1.00 0.00 ATOM 428 NH1 ARG 60 -12.851 -1.194 -10.214 1.00 0.00 ATOM 429 NH2 ARG 60 -12.034 -1.805 -8.156 1.00 0.00 ATOM 430 O ARG 60 -9.415 -9.221 -7.863 1.00 0.00 ATOM 431 C ARG 60 -9.861 -8.290 -7.188 1.00 0.00 ATOM 432 N LEU 61 -9.417 -8.001 -5.965 1.00 0.00 ATOM 433 CA LEU 61 -8.235 -8.670 -5.414 1.00 0.00 ATOM 434 CB LEU 61 -7.755 -7.956 -4.148 1.00 0.00 ATOM 435 CG LEU 61 -7.211 -6.538 -4.333 1.00 0.00 ATOM 436 CD1 LEU 61 -6.887 -5.908 -2.988 1.00 0.00 ATOM 437 CD2 LEU 61 -5.942 -6.554 -5.171 1.00 0.00 ATOM 438 O LEU 61 -7.528 -10.926 -4.985 1.00 0.00 ATOM 439 C LEU 61 -8.478 -10.127 -5.033 1.00 0.00 ATOM 440 N LYS 62 -9.741 -10.452 -4.761 1.00 0.00 ATOM 441 CA LYS 62 -10.146 -11.837 -4.503 1.00 0.00 ATOM 442 CB LYS 62 -11.629 -11.900 -4.130 1.00 0.00 ATOM 443 CG LYS 62 -12.127 -13.297 -3.800 1.00 0.00 ATOM 444 CD LYS 62 -13.580 -13.275 -3.357 1.00 0.00 ATOM 445 CE LYS 62 -14.073 -14.670 -3.009 1.00 0.00 ATOM 446 NZ LYS 62 -15.496 -14.664 -2.571 1.00 0.00 ATOM 447 O LYS 62 -9.744 -13.919 -5.555 1.00 0.00 ATOM 448 C LYS 62 -9.941 -12.721 -5.707 1.00 0.00 ATOM 449 N LYS 63 -9.980 -12.142 -6.905 1.00 0.00 ATOM 450 CA LYS 63 -9.744 -12.929 -8.107 1.00 0.00 ATOM 451 CB LYS 63 -10.851 -12.684 -9.134 1.00 0.00 ATOM 452 CG LYS 63 -12.236 -13.099 -8.664 1.00 0.00 ATOM 453 CD LYS 63 -13.280 -12.859 -9.742 1.00 0.00 ATOM 454 CE LYS 63 -14.663 -13.280 -9.275 1.00 0.00 ATOM 455 NZ LYS 63 -15.712 -12.961 -10.283 1.00 0.00 ATOM 456 O LYS 63 -7.922 -13.458 -9.576 1.00 0.00 ATOM 457 C LYS 63 -8.421 -12.625 -8.823 1.00 0.00 ATOM 458 N ASN 64 -7.837 -11.447 -8.574 1.00 0.00 ATOM 459 CA ASN 64 -6.564 -11.096 -9.171 1.00 0.00 ATOM 460 CB ASN 64 -6.776 -10.231 -10.415 1.00 0.00 ATOM 461 CG ASN 64 -5.484 -9.959 -11.161 1.00 0.00 ATOM 462 ND2 ASN 64 -5.603 -9.569 -12.425 1.00 0.00 ATOM 463 OD1 ASN 64 -4.394 -10.098 -10.606 1.00 0.00 ATOM 464 O ASN 64 -6.059 -9.177 -7.893 1.00 0.00 ATOM 465 C ASN 64 -5.749 -10.323 -8.150 1.00 0.00 ATOM 466 N ASN 65 -4.706 -10.944 -7.563 1.00 0.00 ATOM 467 CA ASN 65 -3.919 -10.264 -6.539 1.00 0.00 ATOM 468 CB ASN 65 -3.041 -11.265 -5.785 1.00 0.00 ATOM 469 CG ASN 65 -3.841 -12.156 -4.855 1.00 0.00 ATOM 470 ND2 ASN 65 -3.252 -13.280 -4.464 1.00 0.00 ATOM 471 OD1 ASN 65 -4.972 -11.835 -4.493 1.00 0.00 ATOM 472 O ASN 65 -2.397 -8.453 -6.216 1.00 0.00 ATOM 473 C ASN 65 -2.964 -9.176 -7.035 1.00 0.00 ATOM 474 N LYS 66 -2.763 -9.074 -8.350 1.00 0.00 ATOM 475 CA LYS 66 -1.771 -8.163 -8.884 1.00 0.00 ATOM 476 CB LYS 66 -1.559 -8.416 -10.377 1.00 0.00 ATOM 477 CG LYS 66 -0.471 -7.560 -11.005 1.00 0.00 ATOM 478 CD LYS 66 -0.252 -7.925 -12.463 1.00 0.00 ATOM 479 CE LYS 66 0.848 -7.080 -13.085 1.00 0.00 ATOM 480 NZ LYS 66 1.074 -7.428 -14.515 1.00 0.00 ATOM 481 O LYS 66 -3.352 -6.354 -9.044 1.00 0.00 ATOM 482 C LYS 66 -2.215 -6.716 -8.700 1.00 0.00 ATOM 483 N ILE 67 -1.297 -5.915 -8.159 1.00 0.00 ATOM 484 CA ILE 67 -1.587 -4.537 -7.760 1.00 0.00 ATOM 485 CB ILE 67 -1.759 -4.416 -6.235 1.00 0.00 ATOM 486 CG1 ILE 67 -0.484 -4.861 -5.517 1.00 0.00 ATOM 487 CG2 ILE 67 -2.910 -5.288 -5.759 1.00 0.00 ATOM 488 CD1 ILE 67 -0.492 -4.583 -4.030 1.00 0.00 ATOM 489 O ILE 67 0.652 -3.939 -8.446 1.00 0.00 ATOM 490 C ILE 67 -0.492 -3.551 -8.148 1.00 0.00 ATOM 491 N CYS 68 -0.858 -2.266 -8.138 1.00 0.00 ATOM 492 CA CYS 68 0.063 -1.170 -8.364 1.00 0.00 ATOM 493 CB CYS 68 -0.088 -0.627 -9.786 1.00 0.00 ATOM 494 SG CYS 68 1.020 0.744 -10.185 1.00 0.00 ATOM 495 O CYS 68 -1.428 0.140 -7.016 1.00 0.00 ATOM 496 C CYS 68 -0.260 -0.077 -7.357 1.00 0.00 ATOM 497 N LEU 69 0.768 0.584 -6.854 1.00 0.00 ATOM 498 CA LEU 69 0.589 1.614 -5.834 1.00 0.00 ATOM 499 CB LEU 69 0.886 1.050 -4.444 1.00 0.00 ATOM 500 CG LEU 69 0.807 2.039 -3.280 1.00 0.00 ATOM 501 CD1 LEU 69 -0.621 2.524 -3.083 1.00 0.00 ATOM 502 CD2 LEU 69 1.267 1.385 -1.986 1.00 0.00 ATOM 503 O LEU 69 2.728 2.478 -6.362 1.00 0.00 ATOM 504 C LEU 69 1.551 2.751 -6.142 1.00 0.00 ATOM 505 N TYR 70 1.071 4.001 -6.156 1.00 0.00 ATOM 506 CA TYR 70 1.965 5.136 -6.296 1.00 0.00 ATOM 507 CB TYR 70 1.802 5.780 -7.674 1.00 0.00 ATOM 508 CG TYR 70 0.446 6.409 -7.900 1.00 0.00 ATOM 509 CD1 TYR 70 0.231 7.754 -7.629 1.00 0.00 ATOM 510 CD2 TYR 70 -0.616 5.655 -8.383 1.00 0.00 ATOM 511 CE1 TYR 70 -1.006 8.338 -7.833 1.00 0.00 ATOM 512 CE2 TYR 70 -1.859 6.221 -8.594 1.00 0.00 ATOM 513 CZ TYR 70 -2.048 7.573 -8.313 1.00 0.00 ATOM 514 OH TYR 70 -3.279 8.152 -8.517 1.00 0.00 ATOM 515 O TYR 70 0.642 6.238 -4.598 1.00 0.00 ATOM 516 C TYR 70 1.700 6.212 -5.256 1.00 0.00 ATOM 517 N PHE 71 2.693 7.066 -5.072 1.00 0.00 ATOM 518 CA PHE 71 2.590 8.166 -4.139 1.00 0.00 ATOM 519 CB PHE 71 2.977 7.712 -2.731 1.00 0.00 ATOM 520 CG PHE 71 2.733 8.748 -1.670 1.00 0.00 ATOM 521 CD1 PHE 71 1.862 9.800 -1.899 1.00 0.00 ATOM 522 CD2 PHE 71 3.372 8.670 -0.446 1.00 0.00 ATOM 523 CE1 PHE 71 1.637 10.753 -0.924 1.00 0.00 ATOM 524 CE2 PHE 71 3.147 9.623 0.529 1.00 0.00 ATOM 525 CZ PHE 71 2.283 10.662 0.295 1.00 0.00 ATOM 526 O PHE 71 4.483 8.995 -5.394 1.00 0.00 ATOM 527 C PHE 71 3.546 9.261 -4.618 1.00 0.00 ATOM 531 N ASP 74 5.822 16.602 -4.143 1.00 0.00 ATOM 532 CA ASP 74 6.669 17.693 -4.639 1.00 0.00 ATOM 533 CB ASP 74 7.610 18.186 -3.536 1.00 0.00 ATOM 534 CG ASP 74 8.333 19.461 -3.916 1.00 0.00 ATOM 535 OD1 ASP 74 8.018 20.030 -4.983 1.00 0.00 ATOM 536 OD2 ASP 74 9.218 19.893 -3.148 1.00 0.00 ATOM 537 O ASP 74 8.781 17.410 -5.741 1.00 0.00 ATOM 538 C ASP 74 7.563 17.324 -5.828 1.00 0.00 ATOM 539 N ASN 75 6.951 16.922 -6.938 1.00 0.00 ATOM 540 CA ASN 75 7.709 16.538 -8.129 1.00 0.00 ATOM 541 CB ASN 75 8.817 17.556 -8.409 1.00 0.00 ATOM 542 CG ASN 75 8.274 18.926 -8.763 1.00 0.00 ATOM 543 ND2 ASN 75 9.056 19.961 -8.482 1.00 0.00 ATOM 544 OD1 ASN 75 7.166 19.049 -9.283 1.00 0.00 ATOM 545 O ASN 75 8.811 14.642 -9.048 1.00 0.00 ATOM 546 C ASN 75 8.390 15.186 -8.039 1.00 0.00 ATOM 547 N LYS 76 8.496 14.648 -6.827 1.00 0.00 ATOM 548 CA LYS 76 9.057 13.314 -6.596 1.00 0.00 ATOM 549 CB LYS 76 9.862 13.290 -5.294 1.00 0.00 ATOM 550 CG LYS 76 11.135 14.119 -5.336 1.00 0.00 ATOM 551 CD LYS 76 11.843 14.112 -3.991 1.00 0.00 ATOM 552 CE LYS 76 13.088 14.982 -4.018 1.00 0.00 ATOM 553 NZ LYS 76 13.763 15.028 -2.692 1.00 0.00 ATOM 554 O LYS 76 6.999 12.489 -5.714 1.00 0.00 ATOM 555 C LYS 76 7.916 12.300 -6.500 1.00 0.00 ATOM 556 N GLY 79 7.980 11.237 -7.285 1.00 0.00 ATOM 557 CA GLY 79 6.950 10.206 -7.238 1.00 0.00 ATOM 558 O GLY 79 8.724 8.665 -7.600 1.00 0.00 ATOM 559 C GLY 79 7.587 8.830 -7.182 1.00 0.00 ATOM 560 N LEU 80 6.848 7.850 -6.657 1.00 0.00 ATOM 561 CA LEU 80 7.304 6.465 -6.598 1.00 0.00 ATOM 562 CB LEU 80 7.742 6.105 -5.177 1.00 0.00 ATOM 563 CG LEU 80 8.181 4.657 -4.950 1.00 0.00 ATOM 564 CD1 LEU 80 9.457 4.356 -5.719 1.00 0.00 ATOM 565 CD2 LEU 80 8.444 4.401 -3.473 1.00 0.00 ATOM 566 O LEU 80 4.991 5.843 -6.579 1.00 0.00 ATOM 567 C LEU 80 6.117 5.604 -7.028 1.00 0.00 ATOM 568 N MET 81 6.371 4.657 -7.920 1.00 0.00 ATOM 569 CA MET 81 5.365 3.750 -8.412 1.00 0.00 ATOM 570 CB MET 81 5.144 3.957 -9.912 1.00 0.00 ATOM 571 CG MET 81 4.056 3.077 -10.506 1.00 0.00 ATOM 572 SD MET 81 3.795 3.384 -12.262 1.00 0.00 ATOM 573 CE MET 81 2.932 4.954 -12.206 1.00 0.00 ATOM 574 O MET 81 6.916 1.937 -8.587 1.00 0.00 ATOM 575 C MET 81 5.832 2.336 -8.163 1.00 0.00 ATOM 576 N LEU 82 4.997 1.582 -7.454 1.00 0.00 ATOM 577 CA LEU 82 5.351 0.265 -6.965 1.00 0.00 ATOM 578 CB LEU 82 5.144 0.181 -5.451 1.00 0.00 ATOM 579 CG LEU 82 5.934 1.180 -4.602 1.00 0.00 ATOM 580 CD1 LEU 82 5.572 1.041 -3.133 1.00 0.00 ATOM 581 CD2 LEU 82 7.430 0.942 -4.749 1.00 0.00 ATOM 582 O LEU 82 3.315 -0.462 -7.986 1.00 0.00 ATOM 583 C LEU 82 4.477 -0.742 -7.644 1.00 0.00 ATOM 584 N VAL 83 5.037 -1.917 -7.873 1.00 0.00 ATOM 585 CA VAL 83 4.258 -3.038 -8.340 1.00 0.00 ATOM 586 CB VAL 83 4.824 -3.611 -9.653 1.00 0.00 ATOM 587 CG1 VAL 83 4.758 -2.571 -10.760 1.00 0.00 ATOM 588 CG2 VAL 83 6.276 -4.026 -9.470 1.00 0.00 ATOM 589 O VAL 83 5.271 -4.161 -6.489 1.00 0.00 ATOM 590 C VAL 83 4.308 -4.107 -7.244 1.00 0.00 ATOM 591 N GLY 84 3.265 -4.929 -7.148 1.00 0.00 ATOM 592 CA GLY 84 3.229 -6.008 -6.183 1.00 0.00 ATOM 593 O GLY 84 1.144 -6.772 -7.085 1.00 0.00 ATOM 594 C GLY 84 1.905 -6.726 -6.112 1.00 0.00 ATOM 595 N THR 85 1.637 -7.319 -4.956 1.00 0.00 ATOM 596 CA THR 85 0.397 -8.033 -4.775 1.00 0.00 ATOM 597 CB THR 85 0.632 -9.550 -4.648 1.00 0.00 ATOM 598 CG2 THR 85 1.270 -10.098 -5.917 1.00 0.00 ATOM 599 OG1 THR 85 1.503 -9.811 -3.541 1.00 0.00 ATOM 600 O THR 85 0.325 -7.131 -2.579 1.00 0.00 ATOM 601 C THR 85 -0.319 -7.575 -3.521 1.00 0.00 ATOM 605 N ILE 88 -6.069 -9.759 0.871 1.00 0.00 ATOM 606 CA ILE 88 -7.191 -9.269 1.673 1.00 0.00 ATOM 607 CB ILE 88 -8.544 -9.636 1.035 1.00 0.00 ATOM 608 CG1 ILE 88 -8.710 -8.927 -0.310 1.00 0.00 ATOM 609 CG2 ILE 88 -9.691 -9.222 1.944 1.00 0.00 ATOM 610 CD1 ILE 88 -9.907 -9.397 -1.105 1.00 0.00 ATOM 611 O ILE 88 -7.012 -11.172 3.117 1.00 0.00 ATOM 612 C ILE 88 -7.051 -9.935 3.037 1.00 0.00 ATOM 613 N LEU 89 -6.929 -9.139 4.099 1.00 0.00 ATOM 614 CA LEU 89 -6.712 -9.734 5.407 1.00 0.00 ATOM 615 CB LEU 89 -5.475 -9.126 6.074 1.00 0.00 ATOM 616 CG LEU 89 -5.124 -9.660 7.463 1.00 0.00 ATOM 617 CD1 LEU 89 -4.695 -11.117 7.385 1.00 0.00 ATOM 618 CD2 LEU 89 -3.982 -8.860 8.072 1.00 0.00 ATOM 619 O LEU 89 -8.483 -8.442 6.398 1.00 0.00 ATOM 620 C LEU 89 -7.892 -9.518 6.353 1.00 0.00 ATOM 621 N HIS 90 -8.269 -10.582 7.056 1.00 0.00 ATOM 622 CA HIS 90 -9.411 -10.509 7.963 1.00 0.00 ATOM 623 CB HIS 90 -10.505 -11.484 7.527 1.00 0.00 ATOM 624 CG HIS 90 -11.032 -11.225 6.150 1.00 0.00 ATOM 625 CD2 HIS 90 -10.977 -11.915 4.870 1.00 0.00 ATOM 626 ND1 HIS 90 -11.773 -10.105 5.836 1.00 0.00 ATOM 627 CE1 HIS 90 -12.103 -10.150 4.533 1.00 0.00 ATOM 628 NE2 HIS 90 -11.627 -11.233 3.947 1.00 0.00 ATOM 629 O HIS 90 -9.842 -10.950 10.261 1.00 0.00 ATOM 630 C HIS 90 -8.986 -10.863 9.381 1.00 0.00 ATOM 631 N ASP 91 -7.679 -11.078 9.580 1.00 0.00 ATOM 632 CA ASP 91 -7.071 -11.384 10.883 1.00 0.00 ATOM 633 CB ASP 91 -5.546 -11.306 10.794 1.00 0.00 ATOM 634 CG ASP 91 -4.865 -11.710 12.087 1.00 0.00 ATOM 635 OD1 ASP 91 -5.578 -11.951 13.083 1.00 0.00 ATOM 636 OD2 ASP 91 -3.618 -11.784 12.104 1.00 0.00 ATOM 637 O ASP 91 -7.137 -9.231 11.972 1.00 0.00 ATOM 638 C ASP 91 -7.522 -10.402 11.982 1.00 0.00 ATOM 639 N ARG 92 -8.328 -10.895 12.927 1.00 0.00 ATOM 640 CA ARG 92 -8.859 -10.073 14.036 1.00 0.00 ATOM 641 CB ARG 92 -9.495 -10.963 15.105 1.00 0.00 ATOM 642 CG ARG 92 -10.805 -11.608 14.677 1.00 0.00 ATOM 643 CD ARG 92 -11.353 -12.515 15.766 1.00 0.00 ATOM 644 NE ARG 92 -12.583 -13.185 15.349 1.00 0.00 ATOM 645 CZ ARG 92 -13.204 -14.120 16.062 1.00 0.00 ATOM 646 NH1 ARG 92 -14.317 -14.674 15.604 1.00 0.00 ATOM 647 NH2 ARG 92 -12.708 -14.498 17.233 1.00 0.00 ATOM 648 O ARG 92 -8.051 -8.082 15.122 1.00 0.00 ATOM 649 C ARG 92 -7.795 -9.227 14.744 1.00 0.00 ATOM 650 N ALA 93 -6.615 -9.801 14.942 1.00 0.00 ATOM 651 CA ALA 93 -5.521 -9.140 15.655 1.00 0.00 ATOM 652 CB ALA 93 -4.357 -10.100 15.848 1.00 0.00 ATOM 653 O ALA 93 -4.616 -6.893 15.509 1.00 0.00 ATOM 654 C ALA 93 -4.985 -7.913 14.902 1.00 0.00 ATOM 655 N SER 94 -4.903 -8.048 13.582 1.00 0.00 ATOM 656 CA SER 94 -4.429 -6.967 12.745 1.00 0.00 ATOM 657 CB SER 94 -4.035 -7.491 11.363 1.00 0.00 ATOM 658 OG SER 94 -2.939 -8.385 11.450 1.00 0.00 ATOM 659 O SER 94 -5.242 -4.750 12.678 1.00 0.00 ATOM 660 C SER 94 -5.529 -5.932 12.585 1.00 0.00 ATOM 661 N LYS 95 -6.777 -6.377 12.385 1.00 0.00 ATOM 662 CA LYS 95 -7.946 -5.481 12.360 1.00 0.00 ATOM 663 CB LYS 95 -9.244 -6.294 12.363 1.00 0.00 ATOM 664 CG LYS 95 -9.518 -7.029 11.061 1.00 0.00 ATOM 665 CD LYS 95 -10.829 -7.794 11.125 1.00 0.00 ATOM 666 CE LYS 95 -11.101 -8.534 9.824 1.00 0.00 ATOM 667 NZ LYS 95 -12.359 -9.327 9.889 1.00 0.00 ATOM 668 O LYS 95 -8.292 -3.341 13.418 1.00 0.00 ATOM 669 C LYS 95 -8.000 -4.546 13.557 1.00 0.00 ATOM 670 N GLU 96 -7.710 -5.080 14.737 1.00 0.00 ATOM 671 CA GLU 96 -7.770 -4.270 15.950 1.00 0.00 ATOM 672 CB GLU 96 -7.920 -5.163 17.184 1.00 0.00 ATOM 673 CG GLU 96 -9.255 -5.884 17.268 1.00 0.00 ATOM 674 CD GLU 96 -9.344 -6.806 18.469 1.00 0.00 ATOM 675 OE1 GLU 96 -8.340 -6.928 19.200 1.00 0.00 ATOM 676 OE2 GLU 96 -10.419 -7.408 18.677 1.00 0.00 ATOM 677 O GLU 96 -6.600 -2.293 16.595 1.00 0.00 ATOM 678 C GLU 96 -6.512 -3.426 16.146 1.00 0.00 ATOM 679 N MET 97 -5.347 -3.962 15.785 1.00 0.00 ATOM 680 CA MET 97 -4.102 -3.175 15.847 1.00 0.00 ATOM 681 CB MET 97 -2.892 -4.060 15.534 1.00 0.00 ATOM 682 CG MET 97 -2.600 -5.109 16.593 1.00 0.00 ATOM 683 SD MET 97 -2.277 -4.388 18.214 1.00 0.00 ATOM 684 CE MET 97 -0.719 -3.559 17.913 1.00 0.00 ATOM 685 O MET 97 -3.480 -0.944 15.149 1.00 0.00 ATOM 686 C MET 97 -4.057 -2.000 14.853 1.00 0.00 ATOM 687 N LEU 98 -4.693 -2.173 13.699 1.00 0.00 ATOM 688 CA LEU 98 -4.610 -1.158 12.643 1.00 0.00 ATOM 689 CB LEU 98 -4.515 -1.821 11.267 1.00 0.00 ATOM 690 CG LEU 98 -3.291 -2.706 11.026 1.00 0.00 ATOM 691 CD1 LEU 98 -3.375 -3.380 9.666 1.00 0.00 ATOM 692 CD2 LEU 98 -2.014 -1.881 11.069 1.00 0.00 ATOM 693 O LEU 98 -5.862 0.709 11.766 1.00 0.00 ATOM 694 C LEU 98 -5.816 -0.218 12.592 1.00 0.00 ATOM 695 N TRP 99 -6.761 -0.445 13.507 1.00 0.00 ATOM 696 CA TRP 99 -7.953 0.379 13.606 1.00 0.00 ATOM 697 CB TRP 99 -8.848 -0.110 14.746 1.00 0.00 ATOM 698 CG TRP 99 -10.146 0.632 14.850 1.00 0.00 ATOM 699 CD1 TRP 99 -10.465 1.601 15.755 1.00 0.00 ATOM 700 CD2 TRP 99 -11.300 0.463 14.018 1.00 0.00 ATOM 701 CE2 TRP 99 -12.280 1.366 14.477 1.00 0.00 ATOM 702 CE3 TRP 99 -11.601 -0.360 12.929 1.00 0.00 ATOM 703 NE1 TRP 99 -11.745 2.050 15.541 1.00 0.00 ATOM 704 CZ2 TRP 99 -13.539 1.465 13.886 1.00 0.00 ATOM 705 CZ3 TRP 99 -12.850 -0.257 12.347 1.00 0.00 ATOM 706 CH2 TRP 99 -13.805 0.647 12.823 1.00 0.00 ATOM 707 O TRP 99 -6.701 2.116 14.716 1.00 0.00 ATOM 708 C TRP 99 -7.568 1.833 13.877 1.00 0.00 ATOM 709 N THR 100 -8.210 2.743 13.147 1.00 0.00 ATOM 710 CA THR 100 -8.031 4.184 13.325 1.00 0.00 ATOM 711 CB THR 100 -7.560 4.859 12.023 1.00 0.00 ATOM 712 CG2 THR 100 -6.247 4.254 11.553 1.00 0.00 ATOM 713 OG1 THR 100 -8.549 4.672 11.001 1.00 0.00 ATOM 714 O THR 100 -10.383 4.226 13.332 1.00 0.00 ATOM 715 C THR 100 -9.362 4.752 13.736 1.00 0.00 ATOM 716 N ASP 101 -9.358 5.843 14.501 1.00 0.00 ATOM 717 CA ASP 101 -10.607 6.470 14.931 1.00 0.00 ATOM 718 CB ASP 101 -10.323 7.767 15.691 1.00 0.00 ATOM 719 CG ASP 101 -9.753 7.520 17.073 1.00 0.00 ATOM 720 OD1 ASP 101 -9.798 6.360 17.536 1.00 0.00 ATOM 721 OD2 ASP 101 -9.261 8.485 17.694 1.00 0.00 ATOM 722 O ASP 101 -12.736 6.699 13.909 1.00 0.00 ATOM 723 C ASP 101 -11.522 6.823 13.784 1.00 0.00 ATOM 724 N GLY 102 -10.945 7.277 12.669 1.00 0.00 ATOM 725 CA GLY 102 -11.759 7.738 11.550 1.00 0.00 ATOM 726 O GLY 102 -13.376 6.786 10.018 1.00 0.00 ATOM 727 C GLY 102 -12.466 6.572 10.839 1.00 0.00 ATOM 728 N CYS 103 -12.077 5.347 11.191 1.00 0.00 ATOM 729 CA CYS 103 -12.775 4.124 10.715 1.00 0.00 ATOM 730 CB CYS 103 -12.057 2.869 11.215 1.00 0.00 ATOM 731 SG CYS 103 -10.401 2.632 10.531 1.00 0.00 ATOM 732 O CYS 103 -15.014 3.270 10.598 1.00 0.00 ATOM 733 C CYS 103 -14.226 4.018 11.188 1.00 0.00 ATOM 734 N GLU 104 -14.581 4.747 12.249 1.00 0.00 ATOM 735 CA GLU 104 -15.931 4.624 12.815 1.00 0.00 ATOM 736 CB GLU 104 -16.082 5.526 14.042 1.00 0.00 ATOM 737 CG GLU 104 -15.297 5.058 15.257 1.00 0.00 ATOM 738 CD GLU 104 -15.370 6.038 16.411 1.00 0.00 ATOM 739 OE1 GLU 104 -15.974 7.118 16.237 1.00 0.00 ATOM 740 OE2 GLU 104 -14.824 5.727 17.490 1.00 0.00 ATOM 741 O GLU 104 -18.009 4.348 11.671 1.00 0.00 ATOM 742 C GLU 104 -16.999 5.025 11.807 1.00 0.00 ATOM 743 N ILE 105 -16.758 6.131 11.112 1.00 0.00 ATOM 744 CA ILE 105 -17.614 6.597 10.016 1.00 0.00 ATOM 745 CB ILE 105 -16.987 7.796 9.280 1.00 0.00 ATOM 746 CG1 ILE 105 -16.958 9.025 10.192 1.00 0.00 ATOM 747 CG2 ILE 105 -17.791 8.138 8.036 1.00 0.00 ATOM 748 CD1 ILE 105 -16.133 10.169 9.647 1.00 0.00 ATOM 749 O ILE 105 -18.912 5.651 8.242 1.00 0.00 ATOM 750 C ILE 105 -17.895 5.549 8.934 1.00 0.00 ATOM 751 N TYR 106 -16.985 4.576 8.776 1.00 0.00 ATOM 752 CA TYR 106 -17.045 3.577 7.698 1.00 0.00 ATOM 753 CB TYR 106 -15.686 3.448 7.009 1.00 0.00 ATOM 754 CG TYR 106 -15.214 4.720 6.341 1.00 0.00 ATOM 755 CD1 TYR 106 -14.261 5.530 6.944 1.00 0.00 ATOM 756 CD2 TYR 106 -15.724 5.105 5.108 1.00 0.00 ATOM 757 CE1 TYR 106 -13.825 6.693 6.340 1.00 0.00 ATOM 758 CE2 TYR 106 -15.299 6.266 4.489 1.00 0.00 ATOM 759 CZ TYR 106 -14.342 7.061 5.118 1.00 0.00 ATOM 760 OH TYR 106 -13.909 8.219 4.514 1.00 0.00 ATOM 761 O TYR 106 -18.082 1.461 7.459 1.00 0.00 ATOM 762 C TYR 106 -17.427 2.194 8.179 1.00 0.00 ATOM 763 N TYR 107 -16.991 1.831 9.386 1.00 0.00 ATOM 764 CA TYR 107 -17.274 0.521 9.960 1.00 0.00 ATOM 765 CB TYR 107 -15.983 -0.285 10.118 1.00 0.00 ATOM 766 CG TYR 107 -15.229 -0.494 8.824 1.00 0.00 ATOM 767 CD1 TYR 107 -14.124 0.286 8.511 1.00 0.00 ATOM 768 CD2 TYR 107 -15.626 -1.471 7.921 1.00 0.00 ATOM 769 CE1 TYR 107 -13.429 0.102 7.331 1.00 0.00 ATOM 770 CE2 TYR 107 -14.942 -1.670 6.736 1.00 0.00 ATOM 771 CZ TYR 107 -13.836 -0.873 6.446 1.00 0.00 ATOM 772 OH TYR 107 -13.146 -1.057 5.271 1.00 0.00 ATOM 773 O TYR 107 -17.234 0.582 12.347 1.00 0.00 ATOM 774 C TYR 107 -17.920 0.679 11.329 1.00 0.00 ATOM 775 N PRO 108 -19.253 0.888 11.355 1.00 0.00 ATOM 776 CA PRO 108 -19.976 1.230 12.597 1.00 0.00 ATOM 777 CB PRO 108 -21.419 1.447 12.138 1.00 0.00 ATOM 778 CG PRO 108 -21.542 0.629 10.896 1.00 0.00 ATOM 779 CD PRO 108 -20.211 0.720 10.204 1.00 0.00 ATOM 780 O PRO 108 -20.322 0.435 14.843 1.00 0.00 ATOM 781 C PRO 108 -19.940 0.154 13.696 1.00 0.00 ATOM 782 N LEU 109 -19.481 -1.051 13.361 1.00 0.00 ATOM 783 CA LEU 109 -19.390 -2.138 14.335 1.00 0.00 ATOM 784 CB LEU 109 -19.432 -3.495 13.629 1.00 0.00 ATOM 785 CG LEU 109 -20.718 -3.822 12.869 1.00 0.00 ATOM 786 CD1 LEU 109 -20.583 -5.145 12.129 1.00 0.00 ATOM 787 CD2 LEU 109 -21.896 -3.929 13.823 1.00 0.00 ATOM 788 O LEU 109 -17.962 -2.925 16.080 1.00 0.00 ATOM 789 C LEU 109 -18.123 -2.121 15.161 1.00 0.00 ATOM 790 N GLY 110 -17.224 -1.191 14.843 1.00 0.00 ATOM 791 CA GLY 110 -15.898 -1.152 15.470 1.00 0.00 ATOM 792 O GLY 110 -15.173 -2.712 13.800 1.00 0.00 ATOM 793 C GLY 110 -14.903 -2.138 14.856 1.00 0.00 ATOM 794 N ILE 111 -13.748 -2.339 15.519 1.00 0.00 ATOM 795 CA ILE 111 -12.640 -3.165 15.024 1.00 0.00 ATOM 796 CB ILE 111 -11.457 -3.172 16.010 1.00 0.00 ATOM 797 CG1 ILE 111 -11.884 -3.773 17.351 1.00 0.00 ATOM 798 CG2 ILE 111 -10.959 -1.755 16.256 1.00 0.00 ATOM 799 CD1 ILE 111 -10.737 -3.998 18.312 1.00 0.00 ATOM 800 O ILE 111 -12.204 -5.400 14.247 1.00 0.00 ATOM 801 C ILE 111 -13.004 -4.627 14.799 1.00 0.00 ATOM 802 N ASP 112 -14.223 -4.974 15.189 1.00 0.00 ATOM 803 CA ASP 112 -14.724 -6.327 15.120 1.00 0.00 ATOM 804 CB ASP 112 -15.406 -6.714 16.434 1.00 0.00 ATOM 805 CG ASP 112 -14.456 -6.677 17.615 1.00 0.00 ATOM 806 OD1 ASP 112 -13.355 -7.259 17.511 1.00 0.00 ATOM 807 OD2 ASP 112 -14.813 -6.068 18.645 1.00 0.00 ATOM 808 O ASP 112 -16.171 -7.586 13.623 1.00 0.00 ATOM 809 C ASP 112 -15.755 -6.466 13.975 1.00 0.00 ATOM 810 N ASP 113 -16.134 -5.324 13.387 1.00 0.00 ATOM 811 CA ASP 113 -17.106 -5.232 12.287 1.00 0.00 ATOM 812 CB ASP 113 -17.118 -3.819 11.699 1.00 0.00 ATOM 813 CG ASP 113 -18.219 -3.624 10.677 1.00 0.00 ATOM 814 OD1 ASP 113 -18.923 -4.607 10.366 1.00 0.00 ATOM 815 OD2 ASP 113 -18.378 -2.485 10.188 1.00 0.00 ATOM 816 O ASP 113 -15.620 -6.211 10.660 1.00 0.00 ATOM 817 C ASP 113 -16.757 -6.217 11.163 1.00 0.00 ATOM 818 N PRO 114 -17.735 -7.056 10.753 1.00 0.00 ATOM 819 CA PRO 114 -17.479 -8.073 9.717 1.00 0.00 ATOM 820 CB PRO 114 -18.725 -8.960 9.753 1.00 0.00 ATOM 821 CG PRO 114 -19.314 -8.722 11.103 1.00 0.00 ATOM 822 CD PRO 114 -19.000 -7.294 11.450 1.00 0.00 ATOM 823 O PRO 114 -16.743 -8.017 7.448 1.00 0.00 ATOM 824 C PRO 114 -17.298 -7.414 8.361 1.00 0.00 ATOM 825 N ASP 115 -17.784 -6.183 8.234 1.00 0.00 ATOM 826 CA ASP 115 -17.608 -5.407 7.017 1.00 0.00 ATOM 827 CB ASP 115 -18.592 -4.237 6.982 1.00 0.00 ATOM 828 CG ASP 115 -20.021 -4.683 6.744 1.00 0.00 ATOM 829 OD1 ASP 115 -20.219 -5.847 6.333 1.00 0.00 ATOM 830 OD2 ASP 115 -20.942 -3.870 6.968 1.00 0.00 ATOM 831 O ASP 115 -15.930 -4.234 5.802 1.00 0.00 ATOM 832 C ASP 115 -16.218 -4.808 6.855 1.00 0.00 ATOM 833 N TYR 116 -15.364 -4.957 7.879 1.00 0.00 ATOM 834 CA TYR 116 -14.040 -4.292 7.937 1.00 0.00 ATOM 835 CB TYR 116 -13.764 -3.772 9.348 1.00 0.00 ATOM 836 CG TYR 116 -12.450 -3.035 9.483 1.00 0.00 ATOM 837 CD1 TYR 116 -12.310 -1.738 9.009 1.00 0.00 ATOM 838 CD2 TYR 116 -11.355 -3.641 10.086 1.00 0.00 ATOM 839 CE1 TYR 116 -11.113 -1.058 9.128 1.00 0.00 ATOM 840 CE2 TYR 116 -10.149 -2.977 10.213 1.00 0.00 ATOM 841 CZ TYR 116 -10.036 -1.675 9.728 1.00 0.00 ATOM 842 OH TYR 116 -8.843 -1.000 9.849 1.00 0.00 ATOM 843 O TYR 116 -12.639 -6.248 8.221 1.00 0.00 ATOM 844 C TYR 116 -12.887 -5.238 7.565 1.00 0.00 ATOM 845 N THR 117 -12.181 -4.875 6.492 1.00 0.00 ATOM 846 CA THR 117 -11.143 -5.703 5.895 1.00 0.00 ATOM 847 CB THR 117 -11.576 -6.246 4.520 1.00 0.00 ATOM 848 CG2 THR 117 -12.852 -7.063 4.647 1.00 0.00 ATOM 849 OG1 THR 117 -11.813 -5.151 3.625 1.00 0.00 ATOM 850 O THR 117 -9.971 -3.647 5.488 1.00 0.00 ATOM 851 C THR 117 -9.876 -4.867 5.711 1.00 0.00 ATOM 852 N ALA 118 -8.711 -5.496 5.852 1.00 0.00 ATOM 853 CA ALA 118 -7.439 -4.840 5.556 1.00 0.00 ATOM 854 CB ALA 118 -6.414 -5.159 6.633 1.00 0.00 ATOM 855 O ALA 118 -7.088 -6.430 3.764 1.00 0.00 ATOM 856 C ALA 118 -6.863 -5.296 4.210 1.00 0.00 ATOM 857 N LEU 119 -6.141 -4.384 3.565 1.00 0.00 ATOM 858 CA LEU 119 -5.422 -4.714 2.332 1.00 0.00 ATOM 859 CB LEU 119 -5.831 -3.765 1.204 1.00 0.00 ATOM 860 CG LEU 119 -7.311 -3.767 0.817 1.00 0.00 ATOM 861 CD1 LEU 119 -7.599 -2.691 -0.219 1.00 0.00 ATOM 862 CD2 LEU 119 -7.710 -5.112 0.230 1.00 0.00 ATOM 863 O LEU 119 -3.427 -3.501 2.921 1.00 0.00 ATOM 864 C LEU 119 -3.932 -4.582 2.587 1.00 0.00 ATOM 865 N CYS 120 -3.230 -5.705 2.473 1.00 0.00 ATOM 866 CA CYS 120 -1.783 -5.721 2.642 1.00 0.00 ATOM 867 CB CYS 120 -1.348 -6.963 3.421 1.00 0.00 ATOM 868 SG CYS 120 0.430 -7.058 3.741 1.00 0.00 ATOM 869 O CYS 120 -1.247 -6.726 0.552 1.00 0.00 ATOM 870 C CYS 120 -1.141 -5.735 1.262 1.00 0.00 ATOM 871 N PHE 121 -0.471 -4.647 0.893 1.00 0.00 ATOM 872 CA PHE 121 0.246 -4.561 -0.378 1.00 0.00 ATOM 873 CB PHE 121 0.160 -3.143 -0.946 1.00 0.00 ATOM 874 CG PHE 121 -1.224 -2.742 -1.372 1.00 0.00 ATOM 875 CD1 PHE 121 -2.066 -2.078 -0.497 1.00 0.00 ATOM 876 CD2 PHE 121 -1.683 -3.030 -2.645 1.00 0.00 ATOM 877 CE1 PHE 121 -3.340 -1.709 -0.888 1.00 0.00 ATOM 878 CE2 PHE 121 -2.956 -2.660 -3.037 1.00 0.00 ATOM 879 CZ PHE 121 -3.783 -2.003 -2.165 1.00 0.00 ATOM 880 O PHE 121 2.363 -4.304 0.689 1.00 0.00 ATOM 881 C PHE 121 1.700 -4.921 -0.147 1.00 0.00 ATOM 882 N THR 122 2.198 -5.898 -0.901 1.00 0.00 ATOM 883 CA THR 122 3.592 -6.325 -0.827 1.00 0.00 ATOM 884 CB THR 122 3.706 -7.834 -0.542 1.00 0.00 ATOM 885 CG2 THR 122 5.166 -8.255 -0.474 1.00 0.00 ATOM 886 OG1 THR 122 3.078 -8.135 0.710 1.00 0.00 ATOM 887 O THR 122 3.792 -6.497 -3.198 1.00 0.00 ATOM 888 C THR 122 4.259 -6.025 -2.151 1.00 0.00 ATOM 889 N ALA 123 5.331 -5.233 -2.089 1.00 0.00 ATOM 890 CA ALA 123 5.968 -4.682 -3.287 1.00 0.00 ATOM 891 CB ALA 123 6.698 -3.390 -2.953 1.00 0.00 ATOM 892 O ALA 123 7.645 -6.361 -3.112 1.00 0.00 ATOM 893 C ALA 123 6.975 -5.663 -3.865 1.00 0.00 ATOM 897 N GLY 126 9.989 -1.394 -7.943 1.00 0.00 ATOM 898 CA GLY 126 9.770 0.044 -7.846 1.00 0.00 ATOM 899 O GLY 126 11.205 0.373 -9.782 1.00 0.00 ATOM 900 C GLY 126 10.245 0.790 -9.091 1.00 0.00 ATOM 901 N ASN 127 9.553 1.888 -9.363 1.00 0.00 ATOM 902 CA ASN 127 9.928 2.861 -10.349 1.00 0.00 ATOM 903 CB ASN 127 8.889 2.915 -11.471 1.00 0.00 ATOM 904 CG ASN 127 8.752 1.595 -12.202 1.00 0.00 ATOM 905 ND2 ASN 127 7.610 0.940 -12.030 1.00 0.00 ATOM 906 OD1 ASN 127 9.663 1.172 -12.914 1.00 0.00 ATOM 907 O ASN 127 8.976 4.667 -9.060 1.00 0.00 ATOM 908 C ASN 127 9.991 4.177 -9.587 1.00 0.00 ATOM 912 N ARG 130 12.874 10.450 -8.591 1.00 0.00 ATOM 913 CA ARG 130 13.377 11.294 -7.534 1.00 0.00 ATOM 914 CB ARG 130 13.782 10.451 -6.324 1.00 0.00 ATOM 915 CG ARG 130 12.610 9.848 -5.567 1.00 0.00 ATOM 916 CD ARG 130 11.846 10.911 -4.795 1.00 0.00 ATOM 917 NE ARG 130 12.675 11.552 -3.777 1.00 0.00 ATOM 918 CZ ARG 130 12.926 11.029 -2.582 1.00 0.00 ATOM 919 NH1 ARG 130 13.693 11.685 -1.720 1.00 0.00 ATOM 920 NH2 ARG 130 12.413 9.853 -2.251 1.00 0.00 ATOM 921 O ARG 130 15.316 11.440 -8.918 1.00 0.00 ATOM 922 C ARG 130 14.577 12.014 -8.110 1.00 0.00 ATOM 923 N HIS 131 14.737 13.275 -7.708 1.00 0.00 ATOM 924 CA HIS 131 15.749 14.190 -8.269 1.00 0.00 ATOM 925 CB HIS 131 17.156 13.754 -7.850 1.00 0.00 ATOM 926 CG HIS 131 17.358 13.711 -6.368 1.00 0.00 ATOM 927 CD2 HIS 131 17.634 12.671 -5.388 1.00 0.00 ATOM 928 ND1 HIS 131 17.308 14.838 -5.577 1.00 0.00 ATOM 929 CE1 HIS 131 17.526 14.485 -4.298 1.00 0.00 ATOM 930 NE2 HIS 131 17.723 13.187 -4.177 1.00 0.00 ATOM 931 O HIS 131 16.760 14.127 -10.473 1.00 0.00 ATOM 932 C HIS 131 15.717 14.228 -9.798 1.00 0.00 ATOM 933 N LEU 132 14.501 14.384 -10.332 1.00 0.00 ATOM 934 CA LEU 132 14.244 14.375 -11.776 1.00 0.00 ATOM 935 CB LEU 132 14.707 15.689 -12.411 1.00 0.00 ATOM 936 CG LEU 132 14.094 16.969 -11.840 1.00 0.00 ATOM 937 CD1 LEU 132 14.685 18.196 -12.519 1.00 0.00 ATOM 938 CD2 LEU 132 12.589 16.986 -12.051 1.00 0.00 ATOM 939 O LEU 132 15.310 13.414 -13.706 1.00 0.00 ATOM 940 C LEU 132 14.954 13.261 -12.523 1.00 0.00 ATOM 941 N LYS 133 15.170 12.145 -11.826 1.00 0.00 ATOM 942 CA LYS 133 15.864 10.994 -12.369 1.00 0.00 ATOM 943 CB LYS 133 17.176 10.757 -11.620 1.00 0.00 ATOM 944 CG LYS 133 18.205 11.859 -11.807 1.00 0.00 ATOM 945 CD LYS 133 19.513 11.519 -11.109 1.00 0.00 ATOM 946 CE LYS 133 20.529 12.638 -11.264 1.00 0.00 ATOM 947 NZ LYS 133 21.824 12.307 -10.607 1.00 0.00 ATOM 948 O LYS 133 14.485 9.456 -11.151 1.00 0.00 ATOM 949 C LYS 133 14.992 9.755 -12.235 1.00 0.00 ATOM 950 N ASN 134 14.830 9.039 -13.337 1.00 0.00 ATOM 951 CA ASN 134 14.064 7.804 -13.359 1.00 0.00 ATOM 952 CB ASN 134 13.371 7.627 -14.711 1.00 0.00 ATOM 953 CG ASN 134 12.266 8.640 -14.936 1.00 0.00 ATOM 954 ND2 ASN 134 11.938 8.887 -16.199 1.00 0.00 ATOM 955 OD1 ASN 134 11.715 9.195 -13.985 1.00 0.00 ATOM 956 O ASN 134 15.929 6.346 -13.799 1.00 0.00 ATOM 957 C ASN 134 14.918 6.549 -13.130 1.00 0.00 ATOM 958 N ILE 135 14.500 5.715 -12.175 1.00 0.00 ATOM 959 CA ILE 135 15.143 4.415 -11.905 1.00 0.00 ATOM 960 CB ILE 135 16.048 4.483 -10.661 1.00 0.00 ATOM 961 CG1 ILE 135 17.140 5.538 -10.851 1.00 0.00 ATOM 962 CG2 ILE 135 16.717 3.138 -10.415 1.00 0.00 ATOM 963 CD1 ILE 135 17.979 5.777 -9.616 1.00 0.00 ATOM 964 O ILE 135 13.142 3.521 -10.927 1.00 0.00 ATOM 965 C ILE 135 14.111 3.314 -11.656 1.00 0.00 TER END