PFRMAT TS TARGET T0327 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 chracteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting chracteristics 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 For T0327 we used Proteinshop to straighten out a helix that monomeric METHOD optimization had crumpled up (it likes to reduce radius of gyration). METHOD We then formed a dimer based on 1tbx[AB] (though 1ub9A might have METHOD been a better choice in retrospect), and optimized as a dimer. METHOD METHOD Model 1 is chain A from dimer/try14-opt2, our favorite dimer. METHOD METHOD Model 2 is chain A from dimer/try13-opt2, a rather less convincing METHOD dimer in which the helices barely interact. METHOD METHOD Model 3 is try4-opt2, a monomer optimized from alignments (mainly METHOD 1ub9A), showing the folded over helix. METHOD METHOD Model 4 is sidechain replacement by SCWRL on an alignment to 1tbxA. METHOD METHOD Model 5 is sidechain replacement by SCWRL on an alignment to 1ub9A. METHOD REMARK 6 REMARK 6 T0327 model 5 Sun Jul 2 22:00:37 2006 MODEL 5 PARENT 1ub9_A ATOM 2 N LYS 3 3.686 -7.645 4.033 1.00 0.00 ATOM 3 CA LYS 3 3.990 -6.504 3.185 1.00 0.00 ATOM 4 CB LYS 3 3.514 -5.207 3.840 1.00 0.00 ATOM 5 CG LYS 3 2.003 -5.051 3.888 1.00 0.00 ATOM 6 CD LYS 3 1.603 -3.747 4.558 1.00 0.00 ATOM 7 CE LYS 3 0.091 -3.595 4.610 1.00 0.00 ATOM 8 NZ LYS 3 -0.316 -2.336 5.291 1.00 0.00 ATOM 9 O LYS 3 5.794 -5.793 1.790 1.00 0.00 ATOM 10 C LYS 3 5.460 -6.290 2.869 1.00 0.00 ATOM 11 N ASP 4 6.333 -6.640 3.812 1.00 0.00 ATOM 12 CA ASP 4 7.777 -6.503 3.631 1.00 0.00 ATOM 13 CB ASP 4 8.527 -7.175 4.783 1.00 0.00 ATOM 14 CG ASP 4 10.021 -6.918 4.734 1.00 0.00 ATOM 15 OD1 ASP 4 10.482 -6.286 3.760 1.00 0.00 ATOM 16 OD2 ASP 4 10.728 -7.348 5.669 1.00 0.00 ATOM 17 O ASP 4 7.724 -8.322 2.060 1.00 0.00 ATOM 18 C ASP 4 8.120 -7.182 2.303 1.00 0.00 ATOM 19 N LYS 5 8.846 -6.475 1.423 1.00 0.00 ATOM 20 CA LYS 5 9.235 -6.996 0.108 1.00 0.00 ATOM 21 CB LYS 5 10.161 -6.011 -0.608 1.00 0.00 ATOM 22 CG LYS 5 10.591 -6.457 -1.996 1.00 0.00 ATOM 23 CD LYS 5 11.444 -5.399 -2.676 1.00 0.00 ATOM 24 CE LYS 5 11.900 -5.858 -4.052 1.00 0.00 ATOM 25 NZ LYS 5 12.734 -4.830 -4.732 1.00 0.00 ATOM 26 O LYS 5 9.767 -9.153 -0.777 1.00 0.00 ATOM 27 C LYS 5 9.979 -8.326 0.108 1.00 0.00 ATOM 28 N LEU 6 10.841 -8.540 1.098 1.00 0.00 ATOM 29 CA LEU 6 11.576 -9.796 1.163 1.00 0.00 ATOM 30 CB LEU 6 12.701 -9.707 2.196 1.00 0.00 ATOM 31 CG LEU 6 13.874 -8.792 1.843 1.00 0.00 ATOM 32 CD1 LEU 6 14.819 -8.648 3.026 1.00 0.00 ATOM 33 CD2 LEU 6 14.662 -9.356 0.669 1.00 0.00 ATOM 34 O LEU 6 10.625 -11.989 0.898 1.00 0.00 ATOM 35 C LEU 6 10.651 -10.951 1.560 1.00 0.00 ATOM 36 N ARG 7 9.883 -10.763 2.631 1.00 0.00 ATOM 37 CA ARG 7 8.965 -11.799 3.101 1.00 0.00 ATOM 38 CB ARG 7 8.223 -11.330 4.354 1.00 0.00 ATOM 39 CG ARG 7 9.091 -11.259 5.600 1.00 0.00 ATOM 40 CD ARG 7 8.248 -11.078 6.852 1.00 0.00 ATOM 41 NE ARG 7 7.542 -9.798 6.855 1.00 0.00 ATOM 42 CZ ARG 7 8.059 -8.662 7.312 1.00 0.00 ATOM 43 NH1 ARG 7 7.342 -7.548 7.276 1.00 0.00 ATOM 44 NH2 ARG 7 9.290 -8.643 7.803 1.00 0.00 ATOM 45 O ARG 7 7.596 -13.311 1.851 1.00 0.00 ATOM 46 C ARG 7 7.930 -12.141 2.044 1.00 0.00 ATOM 47 N TYR 8 7.426 -11.111 1.366 1.00 0.00 ATOM 48 CA TYR 8 6.436 -11.290 0.317 1.00 0.00 ATOM 49 CB TYR 8 6.040 -9.939 -0.282 1.00 0.00 ATOM 50 CG TYR 8 5.030 -10.037 -1.403 1.00 0.00 ATOM 51 CD1 TYR 8 3.683 -10.237 -1.131 1.00 0.00 ATOM 52 CD2 TYR 8 5.428 -9.931 -2.730 1.00 0.00 ATOM 53 CE1 TYR 8 2.753 -10.328 -2.148 1.00 0.00 ATOM 54 CE2 TYR 8 4.512 -10.021 -3.761 1.00 0.00 ATOM 55 CZ TYR 8 3.166 -10.221 -3.459 1.00 0.00 ATOM 56 OH TYR 8 2.242 -10.313 -4.475 1.00 0.00 ATOM 57 O TYR 8 6.326 -13.074 -1.282 1.00 0.00 ATOM 58 C TYR 8 7.006 -12.168 -0.784 1.00 0.00 ATOM 59 N ALA 9 8.252 -11.886 -1.165 1.00 0.00 ATOM 60 CA ALA 9 8.913 -12.665 -2.201 1.00 0.00 ATOM 61 CB ALA 9 10.289 -12.088 -2.499 1.00 0.00 ATOM 62 O ALA 9 8.935 -15.030 -2.586 1.00 0.00 ATOM 63 C ALA 9 9.094 -14.113 -1.780 1.00 0.00 ATOM 64 N ILE 10 9.443 -14.325 -0.515 1.00 0.00 ATOM 65 CA ILE 10 9.617 -15.678 0.011 1.00 0.00 ATOM 66 CB ILE 10 10.104 -15.658 1.472 1.00 0.00 ATOM 67 CG1 ILE 10 11.530 -15.110 1.550 1.00 0.00 ATOM 68 CG2 ILE 10 10.095 -17.063 2.054 1.00 0.00 ATOM 69 CD1 ILE 10 11.990 -14.806 2.960 1.00 0.00 ATOM 70 O ILE 10 8.259 -17.632 -0.348 1.00 0.00 ATOM 71 C ILE 10 8.292 -16.436 -0.037 1.00 0.00 ATOM 72 N LEU 11 7.200 -15.744 0.289 1.00 0.00 ATOM 73 CA LEU 11 5.886 -16.376 0.279 1.00 0.00 ATOM 74 CB LEU 11 4.850 -15.466 0.946 1.00 0.00 ATOM 75 CG LEU 11 4.995 -15.268 2.455 1.00 0.00 ATOM 76 CD1 LEU 11 4.021 -14.210 2.954 1.00 0.00 ATOM 77 CD2 LEU 11 4.710 -16.564 3.198 1.00 0.00 ATOM 78 O LEU 11 4.789 -17.691 -1.409 1.00 0.00 ATOM 79 C LEU 11 5.421 -16.658 -1.148 1.00 0.00 ATOM 80 N LYS 12 5.728 -15.752 -2.074 1.00 0.00 ATOM 81 CA LYS 12 5.355 -15.950 -3.473 1.00 0.00 ATOM 82 CB LYS 12 5.648 -14.688 -4.288 1.00 0.00 ATOM 83 CG LYS 12 5.230 -14.783 -5.747 1.00 0.00 ATOM 84 CD LYS 12 5.463 -13.469 -6.473 1.00 0.00 ATOM 85 CE LYS 12 5.070 -13.570 -7.938 1.00 0.00 ATOM 86 NZ LYS 12 5.314 -12.296 -8.667 1.00 0.00 ATOM 87 O LYS 12 5.663 -17.899 -4.844 1.00 0.00 ATOM 88 C LYS 12 6.164 -17.117 -4.041 1.00 0.00 ATOM 89 N GLU 13 7.415 -17.237 -3.607 1.00 0.00 ATOM 90 CA GLU 13 8.282 -18.324 -4.055 1.00 0.00 ATOM 91 CB GLU 13 9.677 -18.184 -3.440 1.00 0.00 ATOM 92 CG GLU 13 10.666 -19.241 -3.902 1.00 0.00 ATOM 93 CD GLU 13 12.051 -19.038 -3.317 1.00 0.00 ATOM 94 OE1 GLU 13 12.239 -18.059 -2.565 1.00 0.00 ATOM 95 OE2 GLU 13 12.946 -19.857 -3.611 1.00 0.00 ATOM 96 O GLU 13 7.654 -20.616 -4.438 1.00 0.00 ATOM 97 C GLU 13 7.705 -19.670 -3.642 1.00 0.00 ATOM 98 N ILE 14 7.256 -19.739 -2.391 1.00 0.00 ATOM 99 CA ILE 14 6.713 -20.970 -1.824 1.00 0.00 ATOM 100 CB ILE 14 6.683 -20.917 -0.284 1.00 0.00 ATOM 101 CG1 ILE 14 8.106 -20.899 0.276 1.00 0.00 ATOM 102 CG2 ILE 14 5.959 -22.133 0.276 1.00 0.00 ATOM 103 CD1 ILE 14 8.176 -20.581 1.753 1.00 0.00 ATOM 104 O ILE 14 4.897 -22.486 -2.189 1.00 0.00 ATOM 105 C ILE 14 5.287 -21.319 -2.234 1.00 0.00 ATOM 106 N PHE 15 4.512 -20.317 -2.629 1.00 0.00 ATOM 107 CA PHE 15 3.118 -20.534 -3.007 1.00 0.00 ATOM 108 CB PHE 15 2.549 -19.288 -3.689 1.00 0.00 ATOM 109 CG PHE 15 1.129 -19.446 -4.153 1.00 0.00 ATOM 110 CD1 PHE 15 0.076 -19.307 -3.265 1.00 0.00 ATOM 111 CD2 PHE 15 0.845 -19.736 -5.476 1.00 0.00 ATOM 112 CE1 PHE 15 -1.231 -19.455 -3.691 1.00 0.00 ATOM 113 CE2 PHE 15 -0.460 -19.882 -5.902 1.00 0.00 ATOM 114 CZ PHE 15 -1.496 -19.742 -5.016 1.00 0.00 ATOM 115 O PHE 15 2.074 -22.571 -3.743 1.00 0.00 ATOM 116 C PHE 15 2.912 -21.705 -3.983 1.00 0.00 ATOM 117 N GLU 16 3.677 -21.752 -5.088 1.00 0.00 ATOM 118 CA GLU 16 3.519 -22.851 -6.051 1.00 0.00 ATOM 119 CB GLU 16 3.939 -22.399 -7.452 1.00 0.00 ATOM 120 CG GLU 16 3.064 -21.305 -8.040 1.00 0.00 ATOM 121 CD GLU 16 3.513 -20.878 -9.423 1.00 0.00 ATOM 122 OE1 GLU 16 4.495 -21.458 -9.933 1.00 0.00 ATOM 123 OE2 GLU 16 2.883 -19.966 -9.998 1.00 0.00 ATOM 124 O GLU 16 4.103 -25.174 -6.265 1.00 0.00 ATOM 125 C GLU 16 4.352 -24.095 -5.728 1.00 0.00 ATOM 126 N GLY 17 5.337 -23.943 -4.850 1.00 0.00 ATOM 127 CA GLY 17 6.237 -25.046 -4.527 1.00 0.00 ATOM 128 O GLY 17 6.531 -26.849 -2.993 1.00 0.00 ATOM 129 C GLY 17 6.020 -25.749 -3.193 1.00 0.00 ATOM 130 N ASN 18 5.266 -25.111 -2.300 1.00 0.00 ATOM 131 CA ASN 18 4.955 -25.632 -0.968 1.00 0.00 ATOM 132 CB ASN 18 4.447 -27.072 -1.060 1.00 0.00 ATOM 133 CG ASN 18 3.725 -27.518 0.196 1.00 0.00 ATOM 134 ND2 ASN 18 3.695 -28.825 0.428 1.00 0.00 ATOM 135 OD1 ASN 18 3.204 -26.695 0.949 1.00 0.00 ATOM 136 O ASN 18 6.002 -25.243 1.147 1.00 0.00 ATOM 137 C ASN 18 6.132 -25.660 -0.002 1.00 0.00 ATOM 141 N ASP 25 18.584 -18.931 -4.787 1.00 0.00 ATOM 142 CA ASP 25 17.741 -18.469 -5.886 1.00 0.00 ATOM 143 CB ASP 25 16.512 -19.368 -6.033 1.00 0.00 ATOM 144 CG ASP 25 16.850 -20.727 -6.617 1.00 0.00 ATOM 145 OD1 ASP 25 17.979 -20.889 -7.126 1.00 0.00 ATOM 146 OD2 ASP 25 15.987 -21.626 -6.567 1.00 0.00 ATOM 147 O ASP 25 17.104 -16.286 -6.687 1.00 0.00 ATOM 148 C ASP 25 17.215 -17.035 -5.711 1.00 0.00 ATOM 149 N ILE 26 16.915 -16.635 -4.478 1.00 0.00 ATOM 150 CA ILE 26 16.412 -15.285 -4.229 1.00 0.00 ATOM 151 CB ILE 26 15.414 -15.261 -3.056 1.00 0.00 ATOM 152 CG1 ILE 26 16.112 -15.659 -1.754 1.00 0.00 ATOM 153 CG2 ILE 26 14.273 -16.234 -3.310 1.00 0.00 ATOM 154 CD1 ILE 26 15.261 -15.457 -0.519 1.00 0.00 ATOM 155 O ILE 26 17.279 -13.168 -3.462 1.00 0.00 ATOM 156 C ILE 26 17.538 -14.301 -3.878 1.00 0.00 ATOM 157 N GLY 27 18.782 -14.745 -4.048 1.00 0.00 ATOM 158 CA GLY 27 19.966 -13.931 -3.776 1.00 0.00 ATOM 159 O GLY 27 19.997 -11.957 -2.395 1.00 0.00 ATOM 160 C GLY 27 19.903 -13.186 -2.443 1.00 0.00 ATOM 161 N VAL 28 19.739 -13.949 -1.369 1.00 0.00 ATOM 162 CA VAL 28 19.662 -13.415 -0.017 1.00 0.00 ATOM 163 CB VAL 28 18.325 -13.774 0.656 1.00 0.00 ATOM 164 CG1 VAL 28 18.300 -13.272 2.091 1.00 0.00 ATOM 165 CG2 VAL 28 17.163 -13.141 -0.094 1.00 0.00 ATOM 166 O VAL 28 21.259 -15.118 0.538 1.00 0.00 ATOM 167 C VAL 28 20.804 -14.005 0.801 1.00 0.00 ATOM 168 N THR 29 21.267 -13.264 1.794 1.00 0.00 ATOM 169 CA THR 29 22.324 -13.772 2.648 1.00 0.00 ATOM 170 CB THR 29 23.028 -12.636 3.411 1.00 0.00 ATOM 171 CG2 THR 29 23.618 -11.625 2.439 1.00 0.00 ATOM 172 OG1 THR 29 22.084 -11.969 4.257 1.00 0.00 ATOM 173 O THR 29 20.474 -14.587 3.961 1.00 0.00 ATOM 174 C THR 29 21.655 -14.736 3.637 1.00 0.00 ATOM 175 N GLU 30 22.397 -15.742 4.121 1.00 0.00 ATOM 176 CA GLU 30 21.809 -16.692 5.072 1.00 0.00 ATOM 177 CB GLU 30 22.859 -17.703 5.538 1.00 0.00 ATOM 178 CG GLU 30 23.275 -18.702 4.471 1.00 0.00 ATOM 179 CD GLU 30 24.382 -19.627 4.938 1.00 0.00 ATOM 180 OE1 GLU 30 24.873 -19.440 6.071 1.00 0.00 ATOM 181 OE2 GLU 30 24.758 -20.537 4.172 1.00 0.00 ATOM 182 O GLU 30 20.242 -16.377 6.869 1.00 0.00 ATOM 183 C GLU 30 21.262 -15.974 6.306 1.00 0.00 ATOM 184 N ASP 31 21.948 -14.903 6.706 1.00 0.00 ATOM 185 CA ASP 31 21.545 -14.126 7.871 1.00 0.00 ATOM 186 CB ASP 31 22.593 -13.058 8.192 1.00 0.00 ATOM 187 CG ASP 31 23.863 -13.646 8.775 1.00 0.00 ATOM 188 OD1 ASP 31 23.847 -14.835 9.159 1.00 0.00 ATOM 189 OD2 ASP 31 24.876 -12.918 8.848 1.00 0.00 ATOM 190 O ASP 31 19.389 -13.405 8.633 1.00 0.00 ATOM 191 C ASP 31 20.223 -13.387 7.724 1.00 0.00 ATOM 192 N GLN 32 20.027 -12.723 6.589 1.00 0.00 ATOM 193 CA GLN 32 18.784 -12.006 6.364 1.00 0.00 ATOM 194 CB GLN 32 18.883 -11.144 5.104 1.00 0.00 ATOM 195 CG GLN 32 19.816 -9.951 5.241 1.00 0.00 ATOM 196 CD GLN 32 19.975 -9.184 3.943 1.00 0.00 ATOM 197 OE1 GLN 32 19.466 -9.596 2.900 1.00 0.00 ATOM 198 NE2 GLN 32 20.684 -8.063 4.003 1.00 0.00 ATOM 199 O GLN 32 16.542 -12.754 6.728 1.00 0.00 ATOM 200 C GLN 32 17.623 -12.971 6.187 1.00 0.00 ATOM 201 N PHE 33 17.851 -14.029 5.418 1.00 0.00 ATOM 202 CA PHE 33 16.821 -15.024 5.179 1.00 0.00 ATOM 203 CB PHE 33 17.361 -16.156 4.303 1.00 0.00 ATOM 204 CG PHE 33 16.365 -17.250 4.044 1.00 0.00 ATOM 205 CD1 PHE 33 15.378 -17.094 3.086 1.00 0.00 ATOM 206 CD2 PHE 33 16.415 -18.435 4.756 1.00 0.00 ATOM 207 CE1 PHE 33 14.462 -18.100 2.846 1.00 0.00 ATOM 208 CE2 PHE 33 15.499 -19.442 4.516 1.00 0.00 ATOM 209 CZ PHE 33 14.524 -19.278 3.567 1.00 0.00 ATOM 210 O PHE 33 15.182 -15.679 6.800 1.00 0.00 ATOM 211 C PHE 33 16.370 -15.593 6.514 1.00 0.00 ATOM 212 N ASP 34 17.340 -15.965 7.336 1.00 0.00 ATOM 213 CA ASP 34 17.060 -16.533 8.645 1.00 0.00 ATOM 214 CB ASP 34 18.356 -16.722 9.436 1.00 0.00 ATOM 215 CG ASP 34 19.196 -17.869 8.913 1.00 0.00 ATOM 216 OD1 ASP 34 18.680 -18.659 8.094 1.00 0.00 ATOM 217 OD2 ASP 34 20.371 -17.979 9.321 1.00 0.00 ATOM 218 O ASP 34 15.158 -16.115 10.055 1.00 0.00 ATOM 219 C ASP 34 16.137 -15.641 9.479 1.00 0.00 ATOM 220 N ASP 35 16.439 -14.347 9.530 1.00 0.00 ATOM 221 CA ASP 35 15.620 -13.423 10.300 1.00 0.00 ATOM 222 CB ASP 35 16.230 -12.020 10.275 1.00 0.00 ATOM 223 CG ASP 35 17.481 -11.911 11.123 1.00 0.00 ATOM 224 OD1 ASP 35 17.745 -12.842 11.912 1.00 0.00 ATOM 225 OD2 ASP 35 18.197 -10.896 10.997 1.00 0.00 ATOM 226 O ASP 35 13.247 -13.296 10.529 1.00 0.00 ATOM 227 C ASP 35 14.202 -13.313 9.763 1.00 0.00 ATOM 228 N ALA 36 14.060 -13.231 8.446 1.00 0.00 ATOM 229 CA ALA 36 12.728 -13.141 7.853 1.00 0.00 ATOM 230 CB ALA 36 12.830 -12.912 6.352 1.00 0.00 ATOM 231 O ALA 36 10.719 -14.372 8.322 1.00 0.00 ATOM 232 C ALA 36 11.926 -14.420 8.080 1.00 0.00 ATOM 233 N VAL 37 12.602 -15.562 8.005 1.00 0.00 ATOM 234 CA VAL 37 11.951 -16.852 8.217 1.00 0.00 ATOM 235 CB VAL 37 12.937 -18.020 8.019 1.00 0.00 ATOM 236 CG1 VAL 37 12.295 -19.334 8.435 1.00 0.00 ATOM 237 CG2 VAL 37 13.349 -18.128 6.559 1.00 0.00 ATOM 238 O VAL 37 10.287 -17.446 9.848 1.00 0.00 ATOM 239 C VAL 37 11.392 -16.943 9.638 1.00 0.00 ATOM 240 N ASN 38 12.156 -16.440 10.607 1.00 0.00 ATOM 241 CA ASN 38 11.732 -16.443 12.009 1.00 0.00 ATOM 242 CB ASN 38 12.826 -15.855 12.902 1.00 0.00 ATOM 243 CG ASN 38 14.008 -16.790 13.069 1.00 0.00 ATOM 244 ND2 ASN 38 15.148 -16.236 13.464 1.00 0.00 ATOM 245 OD1 ASN 38 13.894 -17.996 12.844 1.00 0.00 ATOM 246 O ASN 38 9.538 -16.017 12.892 1.00 0.00 ATOM 247 C ASN 38 10.462 -15.609 12.197 1.00 0.00 ATOM 248 N PHE 39 10.419 -14.439 11.570 1.00 0.00 ATOM 249 CA PHE 39 9.246 -13.573 11.663 1.00 0.00 ATOM 250 CB PHE 39 9.470 -12.280 10.874 1.00 0.00 ATOM 251 CG PHE 39 8.292 -11.350 10.888 1.00 0.00 ATOM 252 CD1 PHE 39 8.042 -10.541 11.980 1.00 0.00 ATOM 253 CD2 PHE 39 7.432 -11.285 9.804 1.00 0.00 ATOM 254 CE1 PHE 39 6.957 -9.685 11.992 1.00 0.00 ATOM 255 CE2 PHE 39 6.346 -10.428 9.816 1.00 0.00 ATOM 256 CZ PHE 39 6.108 -9.631 10.903 1.00 0.00 ATOM 257 O PHE 39 6.945 -14.320 11.680 1.00 0.00 ATOM 258 C PHE 39 8.030 -14.308 11.088 1.00 0.00 ATOM 259 N LEU 40 8.216 -14.914 9.921 1.00 0.00 ATOM 260 CA LEU 40 7.138 -15.639 9.263 1.00 0.00 ATOM 261 CB LEU 40 7.598 -16.165 7.902 1.00 0.00 ATOM 262 CG LEU 40 7.844 -15.115 6.817 1.00 0.00 ATOM 263 CD1 LEU 40 8.466 -15.750 5.584 1.00 0.00 ATOM 264 CD2 LEU 40 6.538 -14.455 6.403 1.00 0.00 ATOM 265 O LEU 40 5.468 -17.074 10.191 1.00 0.00 ATOM 266 C LEU 40 6.670 -16.832 10.084 1.00 0.00 ATOM 267 N LYS 41 7.608 -17.573 10.671 1.00 0.00 ATOM 268 CA LYS 41 7.232 -18.747 11.453 1.00 0.00 ATOM 269 CB LYS 41 8.469 -19.577 11.802 1.00 0.00 ATOM 270 CG LYS 41 8.163 -20.856 12.566 1.00 0.00 ATOM 271 CD LYS 41 9.421 -21.676 12.797 1.00 0.00 ATOM 272 CE LYS 41 9.119 -22.941 13.581 1.00 0.00 ATOM 273 NZ LYS 41 10.348 -23.745 13.835 1.00 0.00 ATOM 274 O LYS 41 5.629 -19.095 13.201 1.00 0.00 ATOM 275 C LYS 41 6.542 -18.389 12.773 1.00 0.00 ATOM 276 N ARG 42 6.962 -17.296 13.410 1.00 0.00 ATOM 277 CA ARG 42 6.337 -16.882 14.664 1.00 0.00 ATOM 278 CB ARG 42 7.069 -15.676 15.256 1.00 0.00 ATOM 279 CG ARG 42 8.459 -15.989 15.781 1.00 0.00 ATOM 280 CD ARG 42 9.151 -14.737 16.295 1.00 0.00 ATOM 281 NE ARG 42 10.519 -15.008 16.733 1.00 0.00 ATOM 282 CZ ARG 42 11.419 -14.066 16.993 1.00 0.00 ATOM 283 NH1 ARG 42 12.639 -14.406 17.386 1.00 0.00 ATOM 284 NH2 ARG 42 11.098 -12.787 16.859 1.00 0.00 ATOM 285 O ARG 42 4.062 -16.519 15.319 1.00 0.00 ATOM 286 C ARG 42 4.887 -16.503 14.408 1.00 0.00 ATOM 287 N GLU 43 4.578 -16.154 13.162 1.00 0.00 ATOM 288 CA GLU 43 3.223 -15.770 12.806 1.00 0.00 ATOM 289 CB GLU 43 3.237 -14.547 11.885 1.00 0.00 ATOM 290 CG GLU 43 3.772 -13.285 12.539 1.00 0.00 ATOM 291 CD GLU 43 3.787 -12.101 11.592 1.00 0.00 ATOM 292 OE1 GLU 43 3.315 -12.251 10.445 1.00 0.00 ATOM 293 OE2 GLU 43 4.271 -11.022 11.995 1.00 0.00 ATOM 294 O GLU 43 1.430 -16.631 11.457 1.00 0.00 ATOM 295 C GLU 43 2.468 -16.878 12.078 1.00 0.00 ATOM 296 N GLY 44 3.001 -18.097 12.166 1.00 0.00 ATOM 297 CA GLY 44 2.381 -19.264 11.555 1.00 0.00 ATOM 298 O GLY 44 1.396 -20.037 9.526 1.00 0.00 ATOM 299 C GLY 44 2.218 -19.277 10.046 1.00 0.00 ATOM 300 N TYR 45 2.999 -18.461 9.337 1.00 0.00 ATOM 301 CA TYR 45 2.918 -18.381 7.876 1.00 0.00 ATOM 302 CB TYR 45 3.426 -17.023 7.386 1.00 0.00 ATOM 303 CG TYR 45 2.494 -15.873 7.691 1.00 0.00 ATOM 304 CD1 TYR 45 2.762 -14.997 8.735 1.00 0.00 ATOM 305 CD2 TYR 45 1.347 -15.667 6.935 1.00 0.00 ATOM 306 CE1 TYR 45 1.916 -13.944 9.022 1.00 0.00 ATOM 307 CE2 TYR 45 0.489 -14.618 7.207 1.00 0.00 ATOM 308 CZ TYR 45 0.782 -13.755 8.260 1.00 0.00 ATOM 309 OH TYR 45 -0.062 -12.707 8.543 1.00 0.00 ATOM 310 O TYR 45 3.453 -19.887 6.071 1.00 0.00 ATOM 311 C TYR 45 3.754 -19.459 7.192 1.00 0.00 ATOM 312 N ILE 46 4.816 -19.883 7.866 1.00 0.00 ATOM 313 CA ILE 46 5.667 -20.954 7.370 1.00 0.00 ATOM 314 CB ILE 46 6.934 -20.401 6.694 1.00 0.00 ATOM 315 CG1 ILE 46 7.751 -19.572 7.687 1.00 0.00 ATOM 316 CG2 ILE 46 6.565 -19.513 5.515 1.00 0.00 ATOM 317 CD1 ILE 46 9.115 -19.170 7.171 1.00 0.00 ATOM 318 O ILE 46 5.751 -21.445 9.720 1.00 0.00 ATOM 319 C ILE 46 6.050 -21.800 8.576 1.00 0.00 ATOM 320 N ILE 47 6.689 -22.927 8.310 1.00 0.00 ATOM 321 CA ILE 47 7.140 -23.810 9.367 1.00 0.00 ATOM 322 CB ILE 47 6.164 -24.982 9.580 1.00 0.00 ATOM 323 CG1 ILE 47 6.558 -25.786 10.821 1.00 0.00 ATOM 324 CG2 ILE 47 6.178 -25.912 8.378 1.00 0.00 ATOM 325 CD1 ILE 47 5.497 -26.762 11.279 1.00 0.00 ATOM 326 O ILE 47 8.730 -24.401 7.677 1.00 0.00 ATOM 327 C ILE 47 8.498 -24.304 8.881 1.00 0.00 ATOM 328 N GLY 48 9.404 -24.573 9.806 1.00 0.00 ATOM 329 CA GLY 48 10.724 -25.057 9.431 1.00 0.00 ATOM 330 O GLY 48 10.481 -26.480 11.332 1.00 0.00 ATOM 331 C GLY 48 11.011 -26.306 10.237 1.00 0.00 ATOM 332 N VAL 49 11.845 -27.176 9.683 1.00 0.00 ATOM 333 CA VAL 49 12.211 -28.411 10.356 1.00 0.00 ATOM 334 CB VAL 49 11.092 -29.464 10.247 1.00 0.00 ATOM 335 CG1 VAL 49 10.877 -29.866 8.797 1.00 0.00 ATOM 336 CG2 VAL 49 11.455 -30.710 11.043 1.00 0.00 ATOM 337 O VAL 49 13.692 -28.798 8.515 1.00 0.00 ATOM 338 C VAL 49 13.467 -28.968 9.715 1.00 0.00 ATOM 339 N HIS 50 14.292 -29.615 10.529 1.00 0.00 ATOM 340 CA HIS 50 15.532 -30.191 10.047 1.00 0.00 ATOM 341 CB HIS 50 16.569 -30.248 11.173 1.00 0.00 ATOM 342 CG HIS 50 16.965 -28.902 11.696 1.00 0.00 ATOM 343 CD2 HIS 50 16.665 -28.123 12.887 1.00 0.00 ATOM 344 ND1 HIS 50 17.815 -28.059 11.014 1.00 0.00 ATOM 345 CE1 HIS 50 17.982 -26.934 11.729 1.00 0.00 ATOM 346 NE2 HIS 50 17.295 -26.963 12.855 1.00 0.00 ATOM 347 O HIS 50 14.610 -32.393 10.195 1.00 0.00 ATOM 348 C HIS 50 15.282 -31.599 9.543 1.00 0.00 ATOM 349 N TYR 51 15.808 -31.893 8.364 1.00 0.00 ATOM 350 CA TYR 51 15.682 -33.217 7.787 1.00 0.00 ATOM 351 CB TYR 51 15.259 -33.124 6.320 1.00 0.00 ATOM 352 CG TYR 51 14.968 -34.464 5.681 1.00 0.00 ATOM 353 CD1 TYR 51 13.765 -35.120 5.919 1.00 0.00 ATOM 354 CD2 TYR 51 15.894 -35.068 4.842 1.00 0.00 ATOM 355 CE1 TYR 51 13.490 -36.343 5.340 1.00 0.00 ATOM 356 CE2 TYR 51 15.636 -36.292 4.254 1.00 0.00 ATOM 357 CZ TYR 51 14.422 -36.928 4.509 1.00 0.00 ATOM 358 OH TYR 51 14.151 -38.146 3.931 1.00 0.00 ATOM 359 O TYR 51 17.975 -33.510 7.150 1.00 0.00 ATOM 360 C TYR 51 17.072 -33.820 7.933 1.00 0.00 ATOM 361 N SER 52 17.244 -34.654 8.957 1.00 0.00 ATOM 362 CA SER 52 18.532 -35.280 9.223 1.00 0.00 ATOM 363 CB SER 52 18.818 -35.303 10.725 1.00 0.00 ATOM 364 OG SER 52 17.818 -36.026 11.423 1.00 0.00 ATOM 365 O SER 52 19.223 -37.576 9.332 1.00 0.00 ATOM 366 C SER 52 18.583 -36.717 8.722 1.00 0.00 ATOM 367 N ASP 53 17.909 -36.972 7.603 1.00 0.00 ATOM 368 CA ASP 53 17.893 -38.304 7.010 1.00 0.00 ATOM 369 CB ASP 53 16.851 -38.380 5.891 1.00 0.00 ATOM 370 CG ASP 53 16.588 -39.801 5.437 1.00 0.00 ATOM 371 OD1 ASP 53 17.054 -40.740 6.117 1.00 0.00 ATOM 372 OD2 ASP 53 15.914 -39.977 4.400 1.00 0.00 ATOM 373 O ASP 53 19.418 -39.320 5.461 1.00 0.00 ATOM 374 C ASP 53 19.270 -38.593 6.439 1.00 0.00 ATOM 378 N PRO 56 21.977 -33.444 6.280 1.00 0.00 ATOM 379 CA PRO 56 21.493 -32.304 7.070 1.00 0.00 ATOM 380 CB PRO 56 22.707 -31.890 7.905 1.00 0.00 ATOM 381 CG PRO 56 23.536 -33.127 7.997 1.00 0.00 ATOM 382 CD PRO 56 23.389 -33.828 6.676 1.00 0.00 ATOM 383 O PRO 56 21.779 -30.543 5.434 1.00 0.00 ATOM 384 C PRO 56 21.007 -31.129 6.206 1.00 0.00 ATOM 385 N HIS 57 19.734 -30.781 6.367 1.00 0.00 ATOM 386 CA HIS 57 19.125 -29.689 5.628 1.00 0.00 ATOM 387 CB HIS 57 18.684 -30.160 4.240 1.00 0.00 ATOM 388 CG HIS 57 18.260 -29.050 3.331 1.00 0.00 ATOM 389 CD2 HIS 57 18.885 -28.288 2.261 1.00 0.00 ATOM 390 ND1 HIS 57 17.002 -28.488 3.380 1.00 0.00 ATOM 391 CE1 HIS 57 16.918 -27.520 2.449 1.00 0.00 ATOM 392 NE2 HIS 57 18.045 -27.394 1.774 1.00 0.00 ATOM 393 O HIS 57 17.123 -29.911 6.943 1.00 0.00 ATOM 394 C HIS 57 17.909 -29.158 6.360 1.00 0.00 ATOM 395 N LEU 58 17.787 -27.840 6.351 1.00 0.00 ATOM 396 CA LEU 58 16.660 -27.184 6.967 1.00 0.00 ATOM 397 CB LEU 58 17.101 -25.888 7.650 1.00 0.00 ATOM 398 CG LEU 58 15.998 -25.063 8.316 1.00 0.00 ATOM 399 CD1 LEU 58 15.417 -25.808 9.509 1.00 0.00 ATOM 400 CD2 LEU 58 16.544 -23.732 8.807 1.00 0.00 ATOM 401 O LEU 58 16.080 -26.334 4.799 1.00 0.00 ATOM 402 C LEU 58 15.697 -26.906 5.824 1.00 0.00 ATOM 403 N TYR 59 14.453 -27.334 5.988 1.00 0.00 ATOM 404 CA TYR 59 13.443 -27.121 4.966 1.00 0.00 ATOM 405 CB TYR 59 12.670 -28.413 4.696 1.00 0.00 ATOM 406 CG TYR 59 13.536 -29.554 4.209 1.00 0.00 ATOM 407 CD1 TYR 59 13.904 -30.583 5.066 1.00 0.00 ATOM 408 CD2 TYR 59 13.982 -29.597 2.895 1.00 0.00 ATOM 409 CE1 TYR 59 14.694 -31.630 4.630 1.00 0.00 ATOM 410 CE2 TYR 59 14.773 -30.636 2.441 1.00 0.00 ATOM 411 CZ TYR 59 15.128 -31.655 3.323 1.00 0.00 ATOM 412 OH TYR 59 15.915 -32.697 2.886 1.00 0.00 ATOM 413 O TYR 59 12.108 -25.976 6.612 1.00 0.00 ATOM 414 C TYR 59 12.460 -26.046 5.429 1.00 0.00 ATOM 418 N GLU 64 8.706 -24.607 4.803 1.00 0.00 ATOM 419 CA GLU 64 7.440 -24.996 4.206 1.00 0.00 ATOM 420 CB GLU 64 6.983 -26.349 4.757 1.00 0.00 ATOM 421 CG GLU 64 5.692 -26.865 4.140 1.00 0.00 ATOM 422 CD GLU 64 5.299 -28.229 4.670 1.00 0.00 ATOM 423 OE1 GLU 64 6.034 -28.771 5.522 1.00 0.00 ATOM 424 OE2 GLU 64 4.253 -28.757 4.234 1.00 0.00 ATOM 425 O GLU 64 6.264 -23.496 5.647 1.00 0.00 ATOM 426 C GLU 64 6.373 -23.964 4.516 1.00 0.00 ATOM 427 N LEU 65 5.592 -23.598 3.506 1.00 0.00 ATOM 428 CA LEU 65 4.516 -22.637 3.705 1.00 0.00 ATOM 429 CB LEU 65 4.117 -21.996 2.373 1.00 0.00 ATOM 430 CG LEU 65 3.081 -20.874 2.445 1.00 0.00 ATOM 431 CD1 LEU 65 3.640 -19.673 3.196 1.00 0.00 ATOM 432 CD2 LEU 65 2.685 -20.417 1.050 1.00 0.00 ATOM 433 O LEU 65 3.081 -24.559 3.873 1.00 0.00 ATOM 434 C LEU 65 3.349 -23.429 4.294 1.00 0.00 ATOM 435 N THR 66 2.684 -22.863 5.298 1.00 0.00 ATOM 436 CA THR 66 1.564 -23.542 5.935 1.00 0.00 ATOM 437 CB THR 66 1.381 -23.082 7.393 1.00 0.00 ATOM 438 CG2 THR 66 2.661 -23.297 8.185 1.00 0.00 ATOM 439 OG1 THR 66 1.047 -21.689 7.419 1.00 0.00 ATOM 440 O THR 66 0.263 -22.356 4.321 1.00 0.00 ATOM 441 C THR 66 0.287 -23.242 5.174 1.00 0.00 ATOM 442 N GLU 67 -0.773 -23.984 5.480 1.00 0.00 ATOM 443 CA GLU 67 -2.055 -23.761 4.825 1.00 0.00 ATOM 444 CB GLU 67 -3.097 -24.761 5.332 1.00 0.00 ATOM 445 CG GLU 67 -2.863 -26.189 4.868 1.00 0.00 ATOM 446 CD GLU 67 -3.838 -27.171 5.487 1.00 0.00 ATOM 447 OE1 GLU 67 -4.650 -26.744 6.337 1.00 0.00 ATOM 448 OE2 GLU 67 -3.792 -28.364 5.124 1.00 0.00 ATOM 449 O GLU 67 -3.084 -21.666 4.259 1.00 0.00 ATOM 450 C GLU 67 -2.533 -22.344 5.129 1.00 0.00 ATOM 451 N LYS 68 -2.301 -21.890 6.357 1.00 0.00 ATOM 452 CA LYS 68 -2.683 -20.534 6.739 1.00 0.00 ATOM 453 CB LYS 68 -2.428 -20.306 8.231 1.00 0.00 ATOM 454 CG LYS 68 -2.844 -18.931 8.728 1.00 0.00 ATOM 455 CD LYS 68 -2.643 -18.803 10.229 1.00 0.00 ATOM 456 CE LYS 68 -3.027 -17.418 10.722 1.00 0.00 ATOM 457 NZ LYS 68 -2.783 -17.258 12.182 1.00 0.00 ATOM 458 O LYS 68 -2.353 -18.578 5.373 1.00 0.00 ATOM 459 C LYS 68 -1.839 -19.557 5.913 1.00 0.00 ATOM 460 N GLY 69 -0.539 -19.834 5.825 1.00 0.00 ATOM 461 CA GLY 69 0.348 -18.978 5.054 1.00 0.00 ATOM 462 O GLY 69 -0.182 -17.711 3.094 1.00 0.00 ATOM 463 C GLY 69 -0.138 -18.820 3.624 1.00 0.00 ATOM 464 N GLU 70 -0.514 -19.927 2.992 1.00 0.00 ATOM 465 CA GLU 70 -1.009 -19.870 1.619 1.00 0.00 ATOM 466 CB GLU 70 -1.400 -21.268 1.131 1.00 0.00 ATOM 467 CG GLU 70 -1.886 -21.308 -0.308 1.00 0.00 ATOM 468 CD GLU 70 -2.231 -22.712 -0.765 1.00 0.00 ATOM 469 OE1 GLU 70 -2.079 -23.654 0.041 1.00 0.00 ATOM 470 OE2 GLU 70 -2.655 -22.869 -1.929 1.00 0.00 ATOM 471 O GLU 70 -2.330 -18.154 0.577 1.00 0.00 ATOM 472 C GLU 70 -2.243 -18.972 1.492 1.00 0.00 ATOM 473 N ASN 71 -3.199 -19.121 2.404 1.00 0.00 ATOM 474 CA ASN 71 -4.411 -18.305 2.346 1.00 0.00 ATOM 475 CB ASN 71 -5.437 -18.798 3.368 1.00 0.00 ATOM 476 CG ASN 71 -6.078 -20.111 2.964 1.00 0.00 ATOM 477 ND2 ASN 71 -6.632 -20.822 3.939 1.00 0.00 ATOM 478 OD1 ASN 71 -6.074 -20.479 1.790 1.00 0.00 ATOM 479 O ASN 71 -4.741 -15.960 1.971 1.00 0.00 ATOM 480 C ASN 71 -4.173 -16.825 2.641 1.00 0.00 ATOM 481 N TYR 72 -3.343 -16.534 3.636 1.00 0.00 ATOM 482 CA TYR 72 -3.037 -15.149 3.986 1.00 0.00 ATOM 483 CB TYR 72 -2.115 -15.096 5.205 1.00 0.00 ATOM 484 CG TYR 72 -1.723 -13.695 5.618 1.00 0.00 ATOM 485 CD1 TYR 72 -2.605 -12.891 6.331 1.00 0.00 ATOM 486 CD2 TYR 72 -0.476 -13.181 5.294 1.00 0.00 ATOM 487 CE1 TYR 72 -2.257 -11.610 6.711 1.00 0.00 ATOM 488 CE2 TYR 72 -0.110 -11.900 5.666 1.00 0.00 ATOM 489 CZ TYR 72 -1.013 -11.116 6.381 1.00 0.00 ATOM 490 OH TYR 72 -0.664 -9.840 6.760 1.00 0.00 ATOM 491 O TYR 72 -2.656 -13.319 2.493 1.00 0.00 ATOM 492 C TYR 72 -2.344 -14.461 2.822 1.00 0.00 ATOM 493 N LEU 73 -1.396 -15.161 2.204 1.00 0.00 ATOM 494 CA LEU 73 -0.662 -14.608 1.073 1.00 0.00 ATOM 495 CB LEU 73 0.388 -15.604 0.577 1.00 0.00 ATOM 496 CG LEU 73 1.228 -15.162 -0.623 1.00 0.00 ATOM 497 CD1 LEU 73 2.033 -13.916 -0.290 1.00 0.00 ATOM 498 CD2 LEU 73 2.198 -16.260 -1.033 1.00 0.00 ATOM 499 O LEU 73 -1.543 -13.239 -0.682 1.00 0.00 ATOM 500 C LEU 73 -1.623 -14.304 -0.068 1.00 0.00 ATOM 501 N LYS 74 -2.526 -15.240 -0.353 1.00 0.00 ATOM 502 CA LYS 74 -3.503 -15.043 -1.423 1.00 0.00 ATOM 503 CB LYS 74 -4.384 -16.283 -1.580 1.00 0.00 ATOM 504 CG LYS 74 -5.401 -16.183 -2.705 1.00 0.00 ATOM 505 CD LYS 74 -6.186 -17.476 -2.856 1.00 0.00 ATOM 506 CE LYS 74 -7.224 -17.367 -3.960 1.00 0.00 ATOM 507 NZ LYS 74 -8.011 -18.622 -4.110 1.00 0.00 ATOM 508 O LYS 74 -4.693 -13.051 -2.007 1.00 0.00 ATOM 509 C LYS 74 -4.404 -13.853 -1.118 1.00 0.00 ATOM 510 N GLU 75 -4.841 -13.736 0.134 1.00 0.00 ATOM 511 CA GLU 75 -5.692 -12.617 0.532 1.00 0.00 ATOM 512 CB GLU 75 -6.071 -12.730 2.011 1.00 0.00 ATOM 513 CG GLU 75 -6.996 -11.629 2.502 1.00 0.00 ATOM 514 CD GLU 75 -7.375 -11.794 3.960 1.00 0.00 ATOM 515 OE1 GLU 75 -6.926 -12.779 4.584 1.00 0.00 ATOM 516 OE2 GLU 75 -8.122 -10.939 4.479 1.00 0.00 ATOM 517 O GLU 75 -5.466 -10.363 -0.273 1.00 0.00 ATOM 518 C GLU 75 -4.940 -11.309 0.311 1.00 0.00 ATOM 519 N ASN 76 -3.712 -11.250 0.807 1.00 0.00 ATOM 520 CA ASN 76 -2.918 -10.044 0.645 1.00 0.00 ATOM 521 CB ASN 76 -1.565 -10.195 1.345 1.00 0.00 ATOM 522 CG ASN 76 -0.757 -8.913 1.332 1.00 0.00 ATOM 523 ND2 ASN 76 0.397 -8.949 0.676 1.00 0.00 ATOM 524 OD1 ASN 76 -1.166 -7.904 1.907 1.00 0.00 ATOM 525 O ASN 76 -2.738 -8.590 -1.257 1.00 0.00 ATOM 526 C ASN 76 -2.651 -9.740 -0.830 1.00 0.00 ATOM 527 N GLY 77 -2.316 -10.761 -1.609 1.00 0.00 ATOM 528 CA GLY 77 -2.037 -10.541 -3.025 1.00 0.00 ATOM 529 O GLY 77 -3.185 -9.325 -4.741 1.00 0.00 ATOM 530 C GLY 77 -3.279 -10.083 -3.779 1.00 0.00 ATOM 531 N THR 78 -4.444 -10.547 -3.341 1.00 0.00 ATOM 532 CA THR 78 -5.699 -10.162 -3.972 1.00 0.00 ATOM 533 CB THR 78 -6.869 -11.034 -3.480 1.00 0.00 ATOM 534 CG2 THR 78 -8.173 -10.586 -4.124 1.00 0.00 ATOM 535 OG1 THR 78 -6.628 -12.402 -3.827 1.00 0.00 ATOM 536 O THR 78 -6.525 -7.984 -4.518 1.00 0.00 ATOM 537 C THR 78 -6.034 -8.710 -3.655 1.00 0.00 ATOM 538 N TRP 79 -5.775 -8.291 -2.418 1.00 0.00 ATOM 539 CA TRP 79 -6.047 -6.917 -2.014 1.00 0.00 ATOM 540 CB TRP 79 -5.779 -6.737 -0.519 1.00 0.00 ATOM 541 CG TRP 79 -6.043 -5.346 -0.026 1.00 0.00 ATOM 542 CD1 TRP 79 -7.242 -4.834 0.374 1.00 0.00 ATOM 543 CD2 TRP 79 -5.086 -4.290 0.119 1.00 0.00 ATOM 544 CE2 TRP 79 -5.777 -3.166 0.612 1.00 0.00 ATOM 545 CE3 TRP 79 -3.712 -4.185 -0.119 1.00 0.00 ATOM 546 NE1 TRP 79 -7.093 -3.522 0.759 1.00 0.00 ATOM 547 CZ2 TRP 79 -5.141 -1.952 0.871 1.00 0.00 ATOM 548 CZ3 TRP 79 -3.087 -2.981 0.138 1.00 0.00 ATOM 549 CH2 TRP 79 -3.797 -1.879 0.628 1.00 0.00 ATOM 550 O TRP 79 -5.570 -4.922 -3.258 1.00 0.00 ATOM 551 C TRP 79 -5.142 -5.983 -2.802 1.00 0.00 ATOM 552 N SER 80 -3.886 -6.395 -2.958 1.00 0.00 ATOM 553 CA SER 80 -2.897 -5.618 -3.694 1.00 0.00 ATOM 554 CB SER 80 -1.528 -6.298 -3.631 1.00 0.00 ATOM 555 OG SER 80 -1.021 -6.304 -2.308 1.00 0.00 ATOM 556 O SER 80 -3.175 -4.415 -5.760 1.00 0.00 ATOM 557 C SER 80 -3.303 -5.485 -5.156 1.00 0.00 ATOM 558 N LYS 81 -3.784 -6.583 -5.725 1.00 0.00 ATOM 559 CA LYS 81 -4.209 -6.596 -7.119 1.00 0.00 ATOM 560 CB LYS 81 -4.656 -8.001 -7.529 1.00 0.00 ATOM 561 CG LYS 81 -3.520 -9.007 -7.636 1.00 0.00 ATOM 562 CD LYS 81 -4.035 -10.376 -8.049 1.00 0.00 ATOM 563 CE LYS 81 -2.904 -11.388 -8.131 1.00 0.00 ATOM 564 NZ LYS 81 -3.397 -12.744 -8.503 1.00 0.00 ATOM 565 O LYS 81 -5.431 -4.914 -8.326 1.00 0.00 ATOM 566 C LYS 81 -5.383 -5.634 -7.334 1.00 0.00 ATOM 567 N ALA 82 -6.324 -5.628 -6.398 1.00 0.00 ATOM 568 CA ALA 82 -7.492 -4.761 -6.485 1.00 0.00 ATOM 569 CB ALA 82 -8.437 -5.025 -5.322 1.00 0.00 ATOM 570 O ALA 82 -7.631 -2.477 -7.195 1.00 0.00 ATOM 571 C ALA 82 -7.091 -3.289 -6.446 1.00 0.00 ATOM 572 N TYR 83 -6.147 -2.944 -5.576 1.00 0.00 ATOM 573 CA TYR 83 -5.694 -1.558 -5.482 1.00 0.00 ATOM 574 CB TYR 83 -4.690 -1.399 -4.337 1.00 0.00 ATOM 575 CG TYR 83 -4.140 0.002 -4.196 1.00 0.00 ATOM 576 CD1 TYR 83 -4.878 0.995 -3.565 1.00 0.00 ATOM 577 CD2 TYR 83 -2.884 0.326 -4.692 1.00 0.00 ATOM 578 CE1 TYR 83 -4.383 2.279 -3.431 1.00 0.00 ATOM 579 CE2 TYR 83 -2.373 1.604 -4.569 1.00 0.00 ATOM 580 CZ TYR 83 -3.134 2.583 -3.931 1.00 0.00 ATOM 581 OH TYR 83 -2.640 3.860 -3.799 1.00 0.00 ATOM 582 O TYR 83 -5.305 -0.091 -7.344 1.00 0.00 ATOM 583 C TYR 83 -5.022 -1.152 -6.791 1.00 0.00 ATOM 584 N LYS 84 -4.143 -2.006 -7.299 1.00 0.00 ATOM 585 CA LYS 84 -3.454 -1.713 -8.549 1.00 0.00 ATOM 586 CB LYS 84 -2.496 -2.850 -8.912 1.00 0.00 ATOM 587 CG LYS 84 -1.702 -2.609 -10.186 1.00 0.00 ATOM 588 CD LYS 84 -0.722 -3.742 -10.447 1.00 0.00 ATOM 589 CE LYS 84 0.037 -3.526 -11.745 1.00 0.00 ATOM 590 NZ LYS 84 0.984 -4.640 -12.028 1.00 0.00 ATOM 591 O LYS 84 -4.308 -0.590 -10.497 1.00 0.00 ATOM 592 C LYS 84 -4.434 -1.539 -9.720 1.00 0.00 ATOM 593 N THR 85 -5.410 -2.439 -9.838 1.00 0.00 ATOM 594 CA THR 85 -6.392 -2.354 -10.921 1.00 0.00 ATOM 595 CB THR 85 -7.429 -3.489 -10.835 1.00 0.00 ATOM 596 CG2 THR 85 -6.742 -4.845 -10.916 1.00 0.00 ATOM 597 OG1 THR 85 -8.136 -3.401 -9.591 1.00 0.00 ATOM 598 O THR 85 -7.561 -0.524 -11.942 1.00 0.00 ATOM 599 C THR 85 -7.167 -1.042 -10.897 1.00 0.00 TER END