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 4 Sun Jul 2 22:00:37 2006 MODEL 4 PARENT 1tbx_A ATOM 2 N ARG 7 10.333 -10.907 5.005 1.00 0.00 ATOM 3 CA ARG 7 9.289 -11.831 5.406 1.00 0.00 ATOM 4 CB ARG 7 8.574 -11.321 6.658 1.00 0.00 ATOM 5 CG ARG 7 7.518 -12.269 7.201 1.00 0.00 ATOM 6 CD ARG 7 6.831 -11.690 8.426 1.00 0.00 ATOM 7 NE ARG 7 6.074 -10.480 8.108 1.00 0.00 ATOM 8 CZ ARG 7 4.879 -10.478 7.528 1.00 0.00 ATOM 9 NH1 ARG 7 4.265 -9.330 7.277 1.00 0.00 ATOM 10 NH2 ARG 7 4.299 -11.625 7.199 1.00 0.00 ATOM 11 O ARG 7 7.773 -13.105 4.009 1.00 0.00 ATOM 12 C ARG 7 8.254 -11.991 4.292 1.00 0.00 ATOM 13 N TYR 8 7.936 -10.873 3.624 1.00 0.00 ATOM 14 CA TYR 8 7.005 -10.903 2.497 1.00 0.00 ATOM 15 CB TYR 8 6.704 -9.484 2.013 1.00 0.00 ATOM 16 CG TYR 8 5.794 -8.702 2.932 1.00 0.00 ATOM 17 CD1 TYR 8 6.307 -7.742 3.796 1.00 0.00 ATOM 18 CD2 TYR 8 4.423 -8.928 2.935 1.00 0.00 ATOM 19 CE1 TYR 8 5.482 -7.023 4.638 1.00 0.00 ATOM 20 CE2 TYR 8 3.583 -8.218 3.772 1.00 0.00 ATOM 21 CZ TYR 8 4.125 -7.260 4.629 1.00 0.00 ATOM 22 OH TYR 8 3.301 -6.545 5.468 1.00 0.00 ATOM 23 O TYR 8 6.883 -12.541 0.747 1.00 0.00 ATOM 24 C TYR 8 7.565 -11.690 1.308 1.00 0.00 ATOM 25 N ALA 9 8.800 -11.412 0.907 1.00 0.00 ATOM 26 CA ALA 9 9.366 -12.148 -0.220 1.00 0.00 ATOM 27 CB ALA 9 10.776 -11.662 -0.517 1.00 0.00 ATOM 28 O ALA 9 8.934 -14.471 -0.726 1.00 0.00 ATOM 29 C ALA 9 9.433 -13.656 0.076 1.00 0.00 ATOM 30 N ILE 10 10.025 -14.004 1.225 1.00 0.00 ATOM 31 CA ILE 10 10.262 -15.369 1.621 1.00 0.00 ATOM 32 CB ILE 10 10.913 -15.446 3.014 1.00 0.00 ATOM 33 CG1 ILE 10 12.332 -14.879 2.972 1.00 0.00 ATOM 34 CG2 ILE 10 10.985 -16.890 3.488 1.00 0.00 ATOM 35 CD1 ILE 10 12.947 -14.666 4.339 1.00 0.00 ATOM 36 O ILE 10 8.743 -17.101 1.040 1.00 0.00 ATOM 37 C ILE 10 8.919 -16.060 1.644 1.00 0.00 ATOM 38 N LEU 11 7.926 -15.445 2.252 1.00 0.00 ATOM 39 CA LEU 11 6.600 -16.041 2.263 1.00 0.00 ATOM 40 CB LEU 11 5.598 -15.110 2.946 1.00 0.00 ATOM 41 CG LEU 11 5.751 -14.941 4.459 1.00 0.00 ATOM 42 CD1 LEU 11 4.825 -13.851 4.976 1.00 0.00 ATOM 43 CD2 LEU 11 5.413 -16.236 5.182 1.00 0.00 ATOM 44 O LEU 11 5.545 -17.448 0.572 1.00 0.00 ATOM 45 C LEU 11 6.032 -16.342 0.849 1.00 0.00 ATOM 46 N LYS 12 6.091 -15.349 -0.033 1.00 0.00 ATOM 47 CA LYS 12 5.592 -15.472 -1.397 1.00 0.00 ATOM 48 CB LYS 12 5.856 -14.185 -2.182 1.00 0.00 ATOM 49 CG LYS 12 7.325 -13.925 -2.474 1.00 0.00 ATOM 50 CD LYS 12 7.509 -12.657 -3.290 1.00 0.00 ATOM 51 CE LYS 12 8.979 -12.395 -3.580 1.00 0.00 ATOM 52 NZ LYS 12 9.180 -11.127 -4.332 1.00 0.00 ATOM 53 O LYS 12 5.648 -17.427 -2.749 1.00 0.00 ATOM 54 C LYS 12 6.286 -16.617 -2.097 1.00 0.00 ATOM 55 N GLU 13 7.599 -16.701 -1.942 1.00 0.00 ATOM 56 CA GLU 13 8.369 -17.713 -2.650 1.00 0.00 ATOM 57 CB GLU 13 9.869 -17.475 -2.463 1.00 0.00 ATOM 58 CG GLU 13 10.396 -16.243 -3.180 1.00 0.00 ATOM 59 CD GLU 13 11.864 -15.988 -2.896 1.00 0.00 ATOM 60 OE1 GLU 13 12.453 -16.738 -2.089 1.00 0.00 ATOM 61 OE2 GLU 13 12.425 -15.038 -3.482 1.00 0.00 ATOM 62 O GLU 13 8.240 -20.103 -2.952 1.00 0.00 ATOM 63 C GLU 13 8.091 -19.134 -2.185 1.00 0.00 ATOM 64 N ILE 14 7.668 -19.264 -0.936 1.00 0.00 ATOM 65 CA ILE 14 7.389 -20.578 -0.389 1.00 0.00 ATOM 66 CB ILE 14 7.162 -20.519 1.133 1.00 0.00 ATOM 67 CG1 ILE 14 8.423 -20.018 1.842 1.00 0.00 ATOM 68 CG2 ILE 14 6.821 -21.899 1.675 1.00 0.00 ATOM 69 CD1 ILE 14 9.645 -20.872 1.588 1.00 0.00 ATOM 70 O ILE 14 5.997 -22.393 -1.220 1.00 0.00 ATOM 71 C ILE 14 6.122 -21.166 -1.038 1.00 0.00 ATOM 72 N PHE 15 5.191 -20.281 -1.386 1.00 0.00 ATOM 73 CA PHE 15 3.990 -20.739 -1.970 1.00 0.00 ATOM 74 CB PHE 15 3.111 -19.558 -2.383 1.00 0.00 ATOM 75 CG PHE 15 1.786 -19.961 -2.965 1.00 0.00 ATOM 76 CD1 PHE 15 0.746 -20.363 -2.144 1.00 0.00 ATOM 77 CD2 PHE 15 1.579 -19.941 -4.334 1.00 0.00 ATOM 78 CE1 PHE 15 -0.472 -20.736 -2.679 1.00 0.00 ATOM 79 CE2 PHE 15 0.360 -20.315 -4.868 1.00 0.00 ATOM 80 CZ PHE 15 -0.662 -20.710 -4.048 1.00 0.00 ATOM 81 O PHE 15 5.185 -21.164 -3.999 1.00 0.00 ATOM 82 C PHE 15 4.352 -21.558 -3.187 1.00 0.00 ATOM 83 N GLU 16 3.723 -22.722 -3.276 1.00 0.00 ATOM 84 CA GLU 16 4.029 -23.671 -4.308 1.00 0.00 ATOM 85 CB GLU 16 3.989 -22.999 -5.682 1.00 0.00 ATOM 86 CG GLU 16 2.618 -22.477 -6.079 1.00 0.00 ATOM 87 CD GLU 16 2.627 -21.775 -7.421 1.00 0.00 ATOM 88 OE1 GLU 16 3.698 -21.737 -8.065 1.00 0.00 ATOM 89 OE2 GLU 16 1.565 -21.261 -7.832 1.00 0.00 ATOM 90 O GLU 16 5.750 -25.144 -5.122 1.00 0.00 ATOM 91 C GLU 16 5.406 -24.343 -4.221 1.00 0.00 ATOM 92 N GLY 17 6.202 -24.018 -3.203 1.00 0.00 ATOM 93 CA GLY 17 7.469 -24.702 -3.012 1.00 0.00 ATOM 94 O GLY 17 8.631 -25.571 -1.123 1.00 0.00 ATOM 95 C GLY 17 7.537 -25.386 -1.687 1.00 0.00 ATOM 96 N ASN 18 6.374 -25.759 -1.167 1.00 0.00 ATOM 97 CA ASN 18 6.384 -26.476 0.088 1.00 0.00 ATOM 98 CB ASN 18 4.959 -26.845 0.505 1.00 0.00 ATOM 99 CG ASN 18 4.140 -25.636 0.915 1.00 0.00 ATOM 100 ND2 ASN 18 2.821 -25.760 0.827 1.00 0.00 ATOM 101 OD1 ASN 18 4.690 -24.608 1.308 1.00 0.00 ATOM 102 O ASN 18 7.186 -28.397 -1.107 1.00 0.00 ATOM 103 C ASN 18 7.207 -27.765 -0.052 1.00 0.00 ATOM 107 N ASN 24 18.319 -15.358 -5.689 1.00 0.00 ATOM 108 CA ASN 24 18.424 -15.299 -7.156 1.00 0.00 ATOM 109 CB ASN 24 17.984 -16.626 -7.778 1.00 0.00 ATOM 110 CG ASN 24 19.001 -17.733 -7.570 1.00 0.00 ATOM 111 ND2 ASN 24 18.555 -18.977 -7.701 1.00 0.00 ATOM 112 OD1 ASN 24 20.172 -17.468 -7.298 1.00 0.00 ATOM 113 O ASN 24 17.793 -13.850 -8.936 1.00 0.00 ATOM 114 C ASN 24 17.558 -14.205 -7.791 1.00 0.00 ATOM 115 N ASP 25 16.568 -13.681 -7.064 1.00 0.00 ATOM 116 CA ASP 25 15.646 -12.687 -7.610 1.00 0.00 ATOM 117 CB ASP 25 14.222 -13.243 -7.654 1.00 0.00 ATOM 118 CG ASP 25 14.107 -14.483 -8.519 1.00 0.00 ATOM 119 OD1 ASP 25 14.471 -14.411 -9.712 1.00 0.00 ATOM 120 OD2 ASP 25 13.654 -15.527 -8.004 1.00 0.00 ATOM 121 O ASP 25 15.418 -10.341 -7.353 1.00 0.00 ATOM 122 C ASP 25 15.591 -11.406 -6.805 1.00 0.00 ATOM 123 N ILE 26 15.671 -11.544 -5.492 1.00 0.00 ATOM 124 CA ILE 26 15.640 -10.449 -4.565 1.00 0.00 ATOM 125 CB ILE 26 14.329 -10.429 -3.758 1.00 0.00 ATOM 126 CG1 ILE 26 13.123 -10.465 -4.699 1.00 0.00 ATOM 127 CG2 ILE 26 14.242 -9.167 -2.912 1.00 0.00 ATOM 128 CD1 ILE 26 11.791 -10.509 -3.984 1.00 0.00 ATOM 129 O ILE 26 16.614 -11.062 -2.478 1.00 0.00 ATOM 130 C ILE 26 16.810 -10.602 -3.608 1.00 0.00 ATOM 131 N GLY 27 18.024 -10.234 -4.024 1.00 0.00 ATOM 132 CA GLY 27 19.240 -10.506 -3.203 1.00 0.00 ATOM 133 O GLY 27 18.694 -8.976 -1.416 1.00 0.00 ATOM 134 C GLY 27 19.090 -10.101 -1.728 1.00 0.00 ATOM 135 N VAL 28 19.323 -11.038 -0.825 1.00 0.00 ATOM 136 CA VAL 28 19.419 -10.675 0.568 1.00 0.00 ATOM 137 CB VAL 28 18.088 -10.909 1.305 1.00 0.00 ATOM 138 CG1 VAL 28 16.989 -10.042 0.710 1.00 0.00 ATOM 139 CG2 VAL 28 17.665 -12.366 1.194 1.00 0.00 ATOM 140 O VAL 28 21.009 -12.484 0.613 1.00 0.00 ATOM 141 C VAL 28 20.491 -11.521 1.215 1.00 0.00 ATOM 142 N THR 29 20.877 -11.154 2.428 1.00 0.00 ATOM 143 CA THR 29 21.888 -11.958 3.083 1.00 0.00 ATOM 144 CB THR 29 22.658 -11.144 4.140 1.00 0.00 ATOM 145 CG2 THR 29 23.297 -9.917 3.506 1.00 0.00 ATOM 146 OG1 THR 29 21.756 -10.718 5.169 1.00 0.00 ATOM 147 O THR 29 19.916 -13.145 3.882 1.00 0.00 ATOM 148 C THR 29 21.184 -13.127 3.760 1.00 0.00 ATOM 149 N GLU 30 21.994 -14.094 4.180 1.00 0.00 ATOM 150 CA GLU 30 21.521 -15.226 4.966 1.00 0.00 ATOM 151 CB GLU 30 22.636 -16.258 5.145 1.00 0.00 ATOM 152 CG GLU 30 23.004 -17.002 3.872 1.00 0.00 ATOM 153 CD GLU 30 24.191 -17.926 4.060 1.00 0.00 ATOM 154 OE1 GLU 30 24.772 -17.930 5.165 1.00 0.00 ATOM 155 OE2 GLU 30 24.542 -18.645 3.100 1.00 0.00 ATOM 156 O GLU 30 20.040 -15.145 6.840 1.00 0.00 ATOM 157 C GLU 30 21.074 -14.721 6.340 1.00 0.00 ATOM 158 N ASP 31 21.833 -13.813 6.947 1.00 0.00 ATOM 159 CA ASP 31 21.336 -13.158 8.155 1.00 0.00 ATOM 160 CB ASP 31 22.235 -11.981 8.536 1.00 0.00 ATOM 161 CG ASP 31 23.559 -12.426 9.125 1.00 0.00 ATOM 162 OD1 ASP 31 23.703 -13.632 9.418 1.00 0.00 ATOM 163 OD2 ASP 31 24.453 -11.570 9.292 1.00 0.00 ATOM 164 O ASP 31 18.934 -13.092 8.524 1.00 0.00 ATOM 165 C ASP 31 19.902 -12.643 7.879 1.00 0.00 ATOM 166 N GLN 32 19.731 -11.723 6.921 1.00 0.00 ATOM 167 CA GLN 32 18.392 -11.238 6.712 1.00 0.00 ATOM 168 CB GLN 32 18.358 -10.240 5.554 1.00 0.00 ATOM 169 CG GLN 32 19.023 -8.910 5.861 1.00 0.00 ATOM 170 CD GLN 32 19.071 -7.990 4.657 1.00 0.00 ATOM 171 OE1 GLN 32 18.684 -8.375 3.554 1.00 0.00 ATOM 172 NE2 GLN 32 19.546 -6.767 4.865 1.00 0.00 ATOM 173 O GLN 32 16.301 -12.399 6.935 1.00 0.00 ATOM 174 C GLN 32 17.392 -12.382 6.372 1.00 0.00 ATOM 175 N PHE 33 17.780 -13.369 5.543 1.00 0.00 ATOM 176 CA PHE 33 16.839 -14.473 5.195 1.00 0.00 ATOM 177 CB PHE 33 17.503 -15.458 4.233 1.00 0.00 ATOM 178 CG PHE 33 16.631 -16.625 3.864 1.00 0.00 ATOM 179 CD1 PHE 33 15.638 -16.492 2.910 1.00 0.00 ATOM 180 CD2 PHE 33 16.805 -17.857 4.472 1.00 0.00 ATOM 181 CE1 PHE 33 14.835 -17.565 2.572 1.00 0.00 ATOM 182 CE2 PHE 33 16.004 -18.930 4.133 1.00 0.00 ATOM 183 CZ PHE 33 15.022 -18.789 3.187 1.00 0.00 ATOM 184 O PHE 33 15.180 -15.522 6.526 1.00 0.00 ATOM 185 C PHE 33 16.378 -15.273 6.394 1.00 0.00 ATOM 186 N ASP 34 17.330 -15.680 7.246 1.00 0.00 ATOM 187 CA ASP 34 17.023 -16.479 8.441 1.00 0.00 ATOM 188 CB ASP 34 18.313 -16.941 9.123 1.00 0.00 ATOM 189 CG ASP 34 19.020 -18.038 8.351 1.00 0.00 ATOM 190 OD1 ASP 34 18.400 -18.610 7.430 1.00 0.00 ATOM 191 OD2 ASP 34 20.193 -18.326 8.666 1.00 0.00 ATOM 192 O ASP 34 15.316 -16.205 10.085 1.00 0.00 ATOM 193 C ASP 34 16.220 -15.675 9.448 1.00 0.00 ATOM 194 N ASP 35 16.472 -14.379 9.528 1.00 0.00 ATOM 195 CA ASP 35 15.654 -13.553 10.391 1.00 0.00 ATOM 196 CB ASP 35 16.091 -12.089 10.303 1.00 0.00 ATOM 197 CG ASP 35 17.413 -11.833 10.998 1.00 0.00 ATOM 198 OD1 ASP 35 17.872 -12.722 11.746 1.00 0.00 ATOM 199 OD2 ASP 35 17.989 -10.744 10.797 1.00 0.00 ATOM 200 O ASP 35 13.297 -13.825 10.799 1.00 0.00 ATOM 201 C ASP 35 14.195 -13.662 9.963 1.00 0.00 ATOM 202 N ALA 36 13.977 -13.620 8.652 1.00 0.00 ATOM 203 CA ALA 36 12.657 -13.766 8.112 1.00 0.00 ATOM 204 CB ALA 36 12.672 -13.540 6.609 1.00 0.00 ATOM 205 O ALA 36 10.870 -15.302 8.692 1.00 0.00 ATOM 206 C ALA 36 12.067 -15.174 8.365 1.00 0.00 ATOM 207 N VAL 37 12.877 -16.230 8.229 1.00 0.00 ATOM 208 CA VAL 37 12.332 -17.562 8.492 1.00 0.00 ATOM 209 CB VAL 37 13.384 -18.661 8.246 1.00 0.00 ATOM 210 CG1 VAL 37 12.863 -20.011 8.714 1.00 0.00 ATOM 211 CG2 VAL 37 13.715 -18.760 6.765 1.00 0.00 ATOM 212 O VAL 37 10.763 -17.949 10.269 1.00 0.00 ATOM 213 C VAL 37 11.898 -17.573 9.960 1.00 0.00 ATOM 214 N ASN 38 12.765 -17.077 10.844 1.00 0.00 ATOM 215 CA ASN 38 12.454 -17.034 12.273 1.00 0.00 ATOM 216 CB ASN 38 13.509 -16.223 13.027 1.00 0.00 ATOM 217 CG ASN 38 14.830 -16.957 13.151 1.00 0.00 ATOM 218 ND2 ASN 38 15.886 -16.221 13.479 1.00 0.00 ATOM 219 OD1 ASN 38 14.898 -18.170 12.954 1.00 0.00 ATOM 220 O ASN 38 10.207 -16.935 13.176 1.00 0.00 ATOM 221 C ASN 38 11.083 -16.382 12.498 1.00 0.00 ATOM 222 N PHE 39 10.895 -15.223 11.880 1.00 0.00 ATOM 223 CA PHE 39 9.713 -14.439 12.129 1.00 0.00 ATOM 224 CB PHE 39 9.787 -13.105 11.382 1.00 0.00 ATOM 225 CG PHE 39 8.571 -12.243 11.558 1.00 0.00 ATOM 226 CD1 PHE 39 8.397 -11.493 12.710 1.00 0.00 ATOM 227 CD2 PHE 39 7.600 -12.181 10.575 1.00 0.00 ATOM 228 CE1 PHE 39 7.277 -10.699 12.872 1.00 0.00 ATOM 229 CE2 PHE 39 6.481 -11.387 10.737 1.00 0.00 ATOM 230 CZ PHE 39 6.316 -10.648 11.879 1.00 0.00 ATOM 231 O PHE 39 7.488 -15.329 12.419 1.00 0.00 ATOM 232 C PHE 39 8.435 -15.182 11.659 1.00 0.00 ATOM 233 N LEU 40 8.431 -15.683 10.431 1.00 0.00 ATOM 234 CA LEU 40 7.245 -16.333 9.893 1.00 0.00 ATOM 235 CB LEU 40 7.464 -16.725 8.430 1.00 0.00 ATOM 236 CG LEU 40 7.573 -15.572 7.430 1.00 0.00 ATOM 237 CD1 LEU 40 7.954 -16.093 6.052 1.00 0.00 ATOM 238 CD2 LEU 40 6.247 -14.838 7.311 1.00 0.00 ATOM 239 O LEU 40 5.700 -17.946 10.791 1.00 0.00 ATOM 240 C LEU 40 6.889 -17.606 10.666 1.00 0.00 ATOM 241 N LYS 41 7.901 -18.304 11.200 1.00 0.00 ATOM 242 CA LYS 41 7.639 -19.419 12.090 1.00 0.00 ATOM 243 CB LYS 41 8.939 -20.149 12.433 1.00 0.00 ATOM 244 CG LYS 41 8.753 -21.364 13.325 1.00 0.00 ATOM 245 CD LYS 41 10.069 -22.089 13.556 1.00 0.00 ATOM 246 CE LYS 41 9.889 -23.285 14.475 1.00 0.00 ATOM 247 NZ LYS 41 11.180 -23.971 14.755 1.00 0.00 ATOM 248 O LYS 41 6.010 -19.428 13.826 1.00 0.00 ATOM 249 C LYS 41 7.009 -18.884 13.363 1.00 0.00 ATOM 250 N ARG 42 7.572 -17.814 13.917 1.00 0.00 ATOM 251 CA ARG 42 7.112 -17.306 15.206 1.00 0.00 ATOM 252 CB ARG 42 8.034 -16.188 15.700 1.00 0.00 ATOM 253 CG ARG 42 9.406 -16.667 16.145 1.00 0.00 ATOM 254 CD ARG 42 10.293 -15.499 16.548 1.00 0.00 ATOM 255 NE ARG 42 11.619 -15.942 16.974 1.00 0.00 ATOM 256 CZ ARG 42 12.610 -15.119 17.302 1.00 0.00 ATOM 257 NH1 ARG 42 13.782 -15.613 17.678 1.00 0.00 ATOM 258 NH2 ARG 42 12.427 -13.808 17.255 1.00 0.00 ATOM 259 O ARG 42 4.978 -16.843 16.113 1.00 0.00 ATOM 260 C ARG 42 5.721 -16.743 15.145 1.00 0.00 ATOM 261 N GLU 43 5.387 -16.120 14.014 1.00 0.00 ATOM 262 CA GLU 43 4.063 -15.550 13.804 1.00 0.00 ATOM 263 CB GLU 43 4.150 -14.301 12.925 1.00 0.00 ATOM 264 CG GLU 43 5.003 -13.188 13.511 1.00 0.00 ATOM 265 CD GLU 43 4.482 -12.696 14.846 1.00 0.00 ATOM 266 OE1 GLU 43 3.270 -12.412 14.942 1.00 0.00 ATOM 267 OE2 GLU 43 5.286 -12.594 15.796 1.00 0.00 ATOM 268 O GLU 43 1.997 -16.119 12.713 1.00 0.00 ATOM 269 C GLU 43 3.096 -16.514 13.119 1.00 0.00 ATOM 270 N GLY 44 3.507 -17.772 12.985 1.00 0.00 ATOM 271 CA GLY 44 2.586 -18.836 12.640 1.00 0.00 ATOM 272 O GLY 44 1.036 -19.447 10.925 1.00 0.00 ATOM 273 C GLY 44 2.131 -18.920 11.193 1.00 0.00 ATOM 274 N TYR 45 2.972 -18.409 10.285 1.00 0.00 ATOM 275 CA TYR 45 2.759 -18.502 8.851 1.00 0.00 ATOM 276 CB TYR 45 3.291 -17.253 8.148 1.00 0.00 ATOM 277 CG TYR 45 2.548 -15.984 8.505 1.00 0.00 ATOM 278 CD1 TYR 45 3.072 -15.088 9.427 1.00 0.00 ATOM 279 CD2 TYR 45 1.324 -15.689 7.918 1.00 0.00 ATOM 280 CE1 TYR 45 2.400 -13.928 9.760 1.00 0.00 ATOM 281 CE2 TYR 45 0.637 -14.533 8.239 1.00 0.00 ATOM 282 CZ TYR 45 1.187 -13.651 9.168 1.00 0.00 ATOM 283 OH TYR 45 0.516 -12.495 9.497 1.00 0.00 ATOM 284 O TYR 45 2.992 -20.175 7.181 1.00 0.00 ATOM 285 C TYR 45 3.450 -19.696 8.210 1.00 0.00 ATOM 286 N ILE 46 4.541 -20.177 8.816 1.00 0.00 ATOM 287 CA ILE 46 5.398 -21.211 8.224 1.00 0.00 ATOM 288 CB ILE 46 6.708 -20.614 7.678 1.00 0.00 ATOM 289 CG1 ILE 46 7.492 -21.672 6.899 1.00 0.00 ATOM 290 CG2 ILE 46 7.579 -20.110 8.818 1.00 0.00 ATOM 291 CD1 ILE 46 8.631 -21.106 6.079 1.00 0.00 ATOM 292 O ILE 46 5.863 -21.916 10.469 1.00 0.00 ATOM 293 C ILE 46 5.744 -22.244 9.278 1.00 0.00 ATOM 294 N ILE 47 5.907 -23.490 8.845 1.00 0.00 ATOM 295 CA ILE 47 6.390 -24.539 9.736 1.00 0.00 ATOM 296 CB ILE 47 5.382 -25.697 9.846 1.00 0.00 ATOM 297 CG1 ILE 47 4.057 -25.197 10.425 1.00 0.00 ATOM 298 CG2 ILE 47 5.922 -26.791 10.753 1.00 0.00 ATOM 299 CD1 ILE 47 2.931 -26.205 10.334 1.00 0.00 ATOM 300 O ILE 47 7.853 -25.255 8.001 1.00 0.00 ATOM 301 C ILE 47 7.703 -25.091 9.198 1.00 0.00 ATOM 302 N GLY 48 8.668 -25.344 10.071 1.00 0.00 ATOM 303 CA GLY 48 9.875 -26.002 9.620 1.00 0.00 ATOM 304 O GLY 48 10.094 -27.503 11.462 1.00 0.00 ATOM 305 C GLY 48 10.032 -27.390 10.235 1.00 0.00 ATOM 306 N HIS 50 10.117 -28.432 9.392 1.00 0.00 ATOM 307 CA HIS 50 10.384 -29.813 9.856 1.00 0.00 ATOM 308 CB HIS 50 9.281 -30.762 9.384 1.00 0.00 ATOM 309 CG HIS 50 7.925 -30.424 9.919 1.00 0.00 ATOM 310 CD2 HIS 50 6.765 -29.695 9.424 1.00 0.00 ATOM 311 ND1 HIS 50 7.498 -30.818 11.169 1.00 0.00 ATOM 312 CE1 HIS 50 6.245 -30.369 11.366 1.00 0.00 ATOM 313 NE2 HIS 50 5.799 -29.694 10.323 1.00 0.00 ATOM 314 O HIS 50 12.149 -30.078 8.228 1.00 0.00 ATOM 315 C HIS 50 11.710 -30.386 9.344 1.00 0.00 ATOM 316 N TYR 51 12.355 -31.207 10.174 1.00 0.00 ATOM 317 CA TYR 51 13.505 -31.998 9.733 1.00 0.00 ATOM 318 CB TYR 51 14.418 -32.322 10.918 1.00 0.00 ATOM 319 CG TYR 51 15.705 -33.011 10.528 1.00 0.00 ATOM 320 CD1 TYR 51 16.728 -32.310 9.902 1.00 0.00 ATOM 321 CD2 TYR 51 15.895 -34.362 10.787 1.00 0.00 ATOM 322 CE1 TYR 51 17.908 -32.933 9.541 1.00 0.00 ATOM 323 CE2 TYR 51 17.068 -35.003 10.435 1.00 0.00 ATOM 324 CZ TYR 51 18.078 -34.274 9.808 1.00 0.00 ATOM 325 OH TYR 51 19.252 -34.896 9.450 1.00 0.00 ATOM 326 O TYR 51 12.605 -34.235 9.805 1.00 0.00 ATOM 327 C TYR 51 12.969 -33.309 9.113 1.00 0.00 ATOM 328 N SER 52 12.880 -33.330 7.790 1.00 0.00 ATOM 329 CA SER 52 12.351 -34.457 7.050 1.00 0.00 ATOM 330 CB SER 52 11.023 -34.085 6.386 1.00 0.00 ATOM 331 OG SER 52 10.041 -33.765 7.356 1.00 0.00 ATOM 332 O SER 52 14.035 -33.970 5.405 1.00 0.00 ATOM 333 C SER 52 13.362 -34.846 5.979 1.00 0.00 ATOM 334 N ASP 53 13.492 -36.159 5.745 1.00 0.00 ATOM 335 CA ASP 53 14.304 -36.715 4.652 1.00 0.00 ATOM 336 CB ASP 53 13.646 -36.438 3.300 1.00 0.00 ATOM 337 CG ASP 53 12.306 -37.130 3.150 1.00 0.00 ATOM 338 OD1 ASP 53 12.233 -38.347 3.425 1.00 0.00 ATOM 339 OD2 ASP 53 11.329 -36.460 2.757 1.00 0.00 ATOM 340 O ASP 53 16.210 -35.606 3.555 1.00 0.00 ATOM 341 C ASP 53 15.751 -36.105 4.602 1.00 0.00 ATOM 342 N ASP 54 16.435 -36.139 5.756 1.00 0.00 ATOM 343 CA ASP 54 17.800 -35.645 5.922 1.00 0.00 ATOM 344 CB ASP 54 18.757 -36.395 4.993 1.00 0.00 ATOM 345 CG ASP 54 20.211 -36.213 5.385 1.00 0.00 ATOM 346 OD1 ASP 54 20.467 -35.704 6.497 1.00 0.00 ATOM 347 OD2 ASP 54 21.093 -36.577 4.580 1.00 0.00 ATOM 348 O ASP 54 19.173 -33.826 5.244 1.00 0.00 ATOM 349 C ASP 54 18.058 -34.174 5.632 1.00 0.00 ATOM 353 N HIS 57 13.047 -28.573 6.196 1.00 0.00 ATOM 354 CA HIS 57 12.162 -28.137 5.109 1.00 0.00 ATOM 355 CB HIS 57 11.521 -29.345 4.423 1.00 0.00 ATOM 356 CG HIS 57 12.497 -30.208 3.685 1.00 0.00 ATOM 357 CD2 HIS 57 13.036 -31.549 3.859 1.00 0.00 ATOM 358 ND1 HIS 57 13.139 -29.793 2.538 1.00 0.00 ATOM 359 CE1 HIS 57 13.947 -30.778 2.107 1.00 0.00 ATOM 360 NE2 HIS 57 13.890 -31.835 2.895 1.00 0.00 ATOM 361 O HIS 57 10.736 -27.303 6.782 1.00 0.00 ATOM 362 C HIS 57 11.060 -27.261 5.605 1.00 0.00 ATOM 363 N LEU 58 10.461 -26.515 4.677 1.00 0.00 ATOM 364 CA LEU 58 9.482 -25.490 4.983 1.00 0.00 ATOM 365 CB LEU 58 9.914 -24.146 4.395 1.00 0.00 ATOM 366 CG LEU 58 11.244 -23.579 4.899 1.00 0.00 ATOM 367 CD1 LEU 58 11.612 -22.315 4.140 1.00 0.00 ATOM 368 CD2 LEU 58 11.155 -23.238 6.379 1.00 0.00 ATOM 369 O LEU 58 7.937 -26.134 3.239 1.00 0.00 ATOM 370 C LEU 58 8.101 -25.789 4.429 1.00 0.00 ATOM 371 N TYR 59 7.099 -25.653 5.287 1.00 0.00 ATOM 372 CA TYR 59 5.723 -25.807 4.852 1.00 0.00 ATOM 373 CB TYR 59 5.070 -26.999 5.553 1.00 0.00 ATOM 374 CG TYR 59 5.697 -28.332 5.210 1.00 0.00 ATOM 375 CD1 TYR 59 6.738 -28.845 5.973 1.00 0.00 ATOM 376 CD2 TYR 59 5.247 -29.071 4.123 1.00 0.00 ATOM 377 CE1 TYR 59 7.319 -30.061 5.666 1.00 0.00 ATOM 378 CE2 TYR 59 5.815 -30.289 3.802 1.00 0.00 ATOM 379 CZ TYR 59 6.859 -30.781 4.584 1.00 0.00 ATOM 380 OH TYR 59 7.433 -31.992 4.278 1.00 0.00 ATOM 381 O TYR 59 5.440 -23.743 6.024 1.00 0.00 ATOM 382 C TYR 59 4.986 -24.553 5.199 1.00 0.00 ATOM 383 N LEU 65 3.874 -24.359 4.501 1.00 0.00 ATOM 384 CA LEU 65 3.032 -23.206 4.729 1.00 0.00 ATOM 385 CB LEU 65 2.367 -22.762 3.424 1.00 0.00 ATOM 386 CG LEU 65 3.307 -22.366 2.284 1.00 0.00 ATOM 387 CD1 LEU 65 2.518 -22.023 1.030 1.00 0.00 ATOM 388 CD2 LEU 65 4.139 -21.151 2.670 1.00 0.00 ATOM 389 O LEU 65 1.679 -24.757 5.921 1.00 0.00 ATOM 390 C LEU 65 1.990 -23.591 5.719 1.00 0.00 ATOM 391 N THR 66 1.452 -22.583 6.351 1.00 0.00 ATOM 392 CA THR 66 0.497 -22.769 7.384 1.00 0.00 ATOM 393 CB THR 66 0.777 -21.846 8.586 1.00 0.00 ATOM 394 CG2 THR 66 2.196 -22.051 9.094 1.00 0.00 ATOM 395 OG1 THR 66 0.618 -20.479 8.189 1.00 0.00 ATOM 396 O THR 66 -0.817 -21.888 5.603 1.00 0.00 ATOM 397 C THR 66 -0.822 -22.426 6.716 1.00 0.00 ATOM 398 N GLU 67 -1.944 -22.769 7.338 1.00 0.00 ATOM 399 CA GLU 67 -3.238 -22.325 6.837 1.00 0.00 ATOM 400 CB GLU 67 -4.334 -22.593 7.871 1.00 0.00 ATOM 401 CG GLU 67 -5.728 -22.199 7.413 1.00 0.00 ATOM 402 CD GLU 67 -6.791 -22.506 8.451 1.00 0.00 ATOM 403 OE1 GLU 67 -6.436 -23.045 9.521 1.00 0.00 ATOM 404 OE2 GLU 67 -7.976 -22.208 8.195 1.00 0.00 ATOM 405 O GLU 67 -3.494 -20.409 5.384 1.00 0.00 ATOM 406 C GLU 67 -3.239 -20.818 6.527 1.00 0.00 ATOM 407 N LYS 68 -2.904 -20.006 7.537 1.00 0.00 ATOM 408 CA LYS 68 -2.803 -18.541 7.376 1.00 0.00 ATOM 409 CB LYS 68 -2.582 -17.867 8.731 1.00 0.00 ATOM 410 CG LYS 68 -3.791 -17.908 9.651 1.00 0.00 ATOM 411 CD LYS 68 -3.501 -17.226 10.977 1.00 0.00 ATOM 412 CE LYS 68 -4.711 -17.269 11.896 1.00 0.00 ATOM 413 NZ LYS 68 -4.432 -16.630 13.213 1.00 0.00 ATOM 414 O LYS 68 -1.723 -17.021 5.824 1.00 0.00 ATOM 415 C LYS 68 -1.640 -18.074 6.462 1.00 0.00 ATOM 416 N GLY 69 -0.580 -18.867 6.383 1.00 0.00 ATOM 417 CA GLY 69 0.491 -18.578 5.455 1.00 0.00 ATOM 418 O GLY 69 0.354 -17.994 3.145 1.00 0.00 ATOM 419 C GLY 69 0.045 -18.805 4.023 1.00 0.00 ATOM 420 N GLU 70 -0.683 -19.904 3.782 1.00 0.00 ATOM 421 CA GLU 70 -1.103 -20.274 2.433 1.00 0.00 ATOM 422 CB GLU 70 -1.882 -21.591 2.457 1.00 0.00 ATOM 423 CG GLU 70 -1.028 -22.812 2.758 1.00 0.00 ATOM 424 CD GLU 70 -1.851 -24.078 2.897 1.00 0.00 ATOM 425 OE1 GLU 70 -3.094 -23.989 2.829 1.00 0.00 ATOM 426 OE2 GLU 70 -1.250 -25.160 3.071 1.00 0.00 ATOM 427 O GLU 70 -1.803 -18.751 0.755 1.00 0.00 ATOM 428 C GLU 70 -1.985 -19.174 1.894 1.00 0.00 ATOM 429 N ASN 71 -2.914 -18.693 2.722 1.00 0.00 ATOM 430 CA ASN 71 -3.816 -17.614 2.337 1.00 0.00 ATOM 431 CB ASN 71 -4.783 -17.291 3.478 1.00 0.00 ATOM 432 CG ASN 71 -5.843 -18.359 3.664 1.00 0.00 ATOM 433 ND2 ASN 71 -6.460 -18.380 4.840 1.00 0.00 ATOM 434 OD1 ASN 71 -6.100 -19.154 2.761 1.00 0.00 ATOM 435 O ASN 71 -3.211 -15.790 0.902 1.00 0.00 ATOM 436 C ASN 71 -3.064 -16.343 1.998 1.00 0.00 ATOM 437 N TYR 72 -2.209 -15.906 2.903 1.00 0.00 ATOM 438 CA TYR 72 -1.425 -14.679 2.688 1.00 0.00 ATOM 439 CB TYR 72 -0.624 -14.329 3.944 1.00 0.00 ATOM 440 CG TYR 72 0.228 -13.090 3.801 1.00 0.00 ATOM 441 CD1 TYR 72 -0.333 -11.823 3.892 1.00 0.00 ATOM 442 CD2 TYR 72 1.596 -13.190 3.573 1.00 0.00 ATOM 443 CE1 TYR 72 0.439 -10.685 3.762 1.00 0.00 ATOM 444 CE2 TYR 72 2.384 -12.062 3.440 1.00 0.00 ATOM 445 CZ TYR 72 1.793 -10.804 3.537 1.00 0.00 ATOM 446 OH TYR 72 2.564 -9.672 3.407 1.00 0.00 ATOM 447 O TYR 72 -0.353 -13.866 0.704 1.00 0.00 ATOM 448 C TYR 72 -0.416 -14.768 1.544 1.00 0.00 ATOM 449 N LEU 73 0.383 -15.836 1.524 1.00 0.00 ATOM 450 CA LEU 73 1.368 -16.052 0.472 1.00 0.00 ATOM 451 CB LEU 73 1.856 -17.502 0.485 1.00 0.00 ATOM 452 CG LEU 73 2.811 -17.886 1.617 1.00 0.00 ATOM 453 CD1 LEU 73 3.110 -19.376 1.587 1.00 0.00 ATOM 454 CD2 LEU 73 4.128 -17.134 1.487 1.00 0.00 ATOM 455 O LEU 73 1.459 -15.127 -1.763 1.00 0.00 ATOM 456 C LEU 73 0.794 -15.766 -0.945 1.00 0.00 ATOM 457 N LYS 74 -0.446 -16.197 -1.204 1.00 0.00 ATOM 458 CA LYS 74 -1.060 -16.024 -2.536 1.00 0.00 ATOM 459 CB LYS 74 -2.462 -16.636 -2.564 1.00 0.00 ATOM 460 CG LYS 74 -3.156 -16.540 -3.913 1.00 0.00 ATOM 461 CD LYS 74 -4.511 -17.228 -3.887 1.00 0.00 ATOM 462 CE LYS 74 -5.226 -17.089 -5.222 1.00 0.00 ATOM 463 NZ LYS 74 -6.565 -17.739 -5.204 1.00 0.00 ATOM 464 O LYS 74 -0.772 -14.149 -3.993 1.00 0.00 ATOM 465 C LYS 74 -1.182 -14.549 -2.896 1.00 0.00 ATOM 466 N GLU 75 -1.730 -13.749 -1.983 1.00 0.00 ATOM 467 CA GLU 75 -1.895 -12.345 -2.275 1.00 0.00 ATOM 468 CB GLU 75 -2.784 -11.680 -1.222 1.00 0.00 ATOM 469 CG GLU 75 -4.243 -12.101 -1.287 1.00 0.00 ATOM 470 CD GLU 75 -5.075 -11.493 -0.174 1.00 0.00 ATOM 471 OE1 GLU 75 -4.496 -10.794 0.686 1.00 0.00 ATOM 472 OE2 GLU 75 -6.304 -11.716 -0.161 1.00 0.00 ATOM 473 O GLU 75 -0.414 -10.614 -3.025 1.00 0.00 ATOM 474 C GLU 75 -0.564 -11.584 -2.294 1.00 0.00 ATOM 475 N ASN 76 0.402 -11.994 -1.486 1.00 0.00 ATOM 476 CA ASN 76 1.745 -11.425 -1.611 1.00 0.00 ATOM 477 CB ASN 76 2.659 -11.962 -0.509 1.00 0.00 ATOM 478 CG ASN 76 2.340 -11.376 0.852 1.00 0.00 ATOM 479 ND2 ASN 76 2.778 -12.055 1.906 1.00 0.00 ATOM 480 OD1 ASN 76 1.707 -10.324 0.952 1.00 0.00 ATOM 481 O ASN 76 3.032 -10.902 -3.554 1.00 0.00 ATOM 482 C ASN 76 2.396 -11.765 -2.959 1.00 0.00 ATOM 483 N GLY 77 2.254 -13.013 -3.419 1.00 0.00 ATOM 484 CA GLY 77 2.868 -13.476 -4.668 1.00 0.00 ATOM 485 O GLY 77 3.249 -12.207 -6.681 1.00 0.00 ATOM 486 C GLY 77 2.428 -12.587 -5.822 1.00 0.00 ATOM 487 N THR 78 1.131 -12.276 -5.829 1.00 0.00 ATOM 488 CA THR 78 0.476 -11.509 -6.881 1.00 0.00 ATOM 489 CB THR 78 -1.046 -11.432 -6.660 1.00 0.00 ATOM 490 CG2 THR 78 -1.700 -10.591 -7.745 1.00 0.00 ATOM 491 OG1 THR 78 -1.603 -12.751 -6.696 1.00 0.00 ATOM 492 O THR 78 1.413 -9.558 -7.952 1.00 0.00 ATOM 493 C THR 78 1.037 -10.061 -6.906 1.00 0.00 ATOM 494 N TRP 79 1.139 -9.447 -5.729 1.00 0.00 ATOM 495 CA TRP 79 1.835 -8.190 -5.523 1.00 0.00 ATOM 496 CB TRP 79 1.870 -7.835 -4.034 1.00 0.00 ATOM 497 CG TRP 79 2.571 -6.545 -3.743 1.00 0.00 ATOM 498 CD1 TRP 79 3.822 -6.392 -3.219 1.00 0.00 ATOM 499 CD2 TRP 79 2.061 -5.222 -3.958 1.00 0.00 ATOM 500 CE2 TRP 79 3.058 -4.318 -3.541 1.00 0.00 ATOM 501 CE3 TRP 79 0.860 -4.715 -4.462 1.00 0.00 ATOM 502 NE1 TRP 79 4.125 -5.057 -3.093 1.00 0.00 ATOM 503 CZ2 TRP 79 2.891 -2.936 -3.614 1.00 0.00 ATOM 504 CZ3 TRP 79 0.697 -3.345 -4.532 1.00 0.00 ATOM 505 CH2 TRP 79 1.705 -2.469 -4.112 1.00 0.00 ATOM 506 O TRP 79 3.673 -7.351 -6.871 1.00 0.00 ATOM 507 C TRP 79 3.321 -8.171 -6.005 1.00 0.00 ATOM 508 N SER 80 4.176 -9.065 -5.482 1.00 0.00 ATOM 509 CA SER 80 5.586 -9.160 -5.928 1.00 0.00 ATOM 510 CB SER 80 6.310 -10.280 -5.180 1.00 0.00 ATOM 511 OG SER 80 6.423 -9.982 -3.798 1.00 0.00 ATOM 512 O SER 80 6.546 -8.860 -8.136 1.00 0.00 ATOM 513 C SER 80 5.718 -9.454 -7.420 1.00 0.00 ATOM 514 N LYS 81 4.887 -10.363 -7.894 1.00 0.00 ATOM 515 CA LYS 81 4.889 -10.696 -9.292 1.00 0.00 ATOM 516 CB LYS 81 3.861 -11.791 -9.585 1.00 0.00 ATOM 517 CG LYS 81 3.828 -12.239 -11.037 1.00 0.00 ATOM 518 CD LYS 81 2.843 -13.378 -11.240 1.00 0.00 ATOM 519 CE LYS 81 2.788 -13.806 -12.697 1.00 0.00 ATOM 520 NZ LYS 81 1.816 -14.914 -12.915 1.00 0.00 ATOM 521 O LYS 81 5.144 -9.346 -11.260 1.00 0.00 ATOM 522 C LYS 81 4.548 -9.508 -10.184 1.00 0.00 ATOM 523 N ALA 82 3.580 -8.696 -9.733 1.00 0.00 ATOM 524 CA ALA 82 3.128 -7.557 -10.482 1.00 0.00 ATOM 525 CB ALA 82 1.872 -6.971 -9.853 1.00 0.00 ATOM 526 O ALA 82 4.604 -5.953 -11.438 1.00 0.00 ATOM 527 C ALA 82 4.270 -6.568 -10.437 1.00 0.00 ATOM 528 N TYR 83 4.871 -6.435 -9.257 1.00 0.00 ATOM 529 CA TYR 83 6.079 -5.622 -9.105 1.00 0.00 ATOM 530 CB TYR 83 6.676 -5.807 -7.709 1.00 0.00 ATOM 531 CG TYR 83 7.935 -5.004 -7.469 1.00 0.00 ATOM 532 CD1 TYR 83 7.865 -3.666 -7.101 1.00 0.00 ATOM 533 CD2 TYR 83 9.188 -5.585 -7.611 1.00 0.00 ATOM 534 CE1 TYR 83 9.009 -2.922 -6.881 1.00 0.00 ATOM 535 CE2 TYR 83 10.343 -4.857 -7.393 1.00 0.00 ATOM 536 CZ TYR 83 10.243 -3.517 -7.026 1.00 0.00 ATOM 537 OH TYR 83 11.384 -2.780 -6.807 1.00 0.00 ATOM 538 O TYR 83 7.613 -5.084 -10.850 1.00 0.00 ATOM 539 C TYR 83 7.172 -5.976 -10.109 1.00 0.00 ATOM 540 N LYS 84 7.610 -7.252 -10.105 1.00 0.00 ATOM 541 CA LYS 84 8.545 -7.762 -11.091 1.00 0.00 ATOM 542 CB LYS 84 8.591 -9.291 -11.045 1.00 0.00 ATOM 543 CG LYS 84 9.579 -9.911 -12.021 1.00 0.00 ATOM 544 CD LYS 84 9.618 -11.424 -11.878 1.00 0.00 ATOM 545 CE LYS 84 10.569 -12.049 -12.886 1.00 0.00 ATOM 546 NZ LYS 84 10.634 -13.530 -12.744 1.00 0.00 ATOM 547 O LYS 84 9.014 -6.851 -13.226 1.00 0.00 ATOM 548 C LYS 84 8.176 -7.365 -12.504 1.00 0.00 ATOM 549 N THR 85 6.917 -7.545 -12.911 1.00 0.00 ATOM 550 CA THR 85 6.502 -7.182 -14.281 1.00 0.00 ATOM 551 CB THR 85 5.079 -7.681 -14.590 1.00 0.00 ATOM 552 CG2 THR 85 5.005 -9.196 -14.456 1.00 0.00 ATOM 553 OG1 THR 85 4.150 -7.088 -13.675 1.00 0.00 ATOM 554 O THR 85 6.561 -5.284 -15.674 1.00 0.00 ATOM 555 C THR 85 6.491 -5.712 -14.531 1.00 0.00 ATOM 556 N ILE 86 6.340 -4.924 -13.471 1.00 0.00 ATOM 557 CA ILE 86 6.326 -3.470 -13.607 1.00 0.00 ATOM 558 CB ILE 86 5.765 -2.791 -12.344 1.00 0.00 ATOM 559 CG1 ILE 86 4.290 -3.151 -12.155 1.00 0.00 ATOM 560 CG2 ILE 86 5.881 -1.278 -12.456 1.00 0.00 ATOM 561 CD1 ILE 86 3.723 -2.723 -10.819 1.00 0.00 ATOM 562 O ILE 86 8.067 -2.292 -14.798 1.00 0.00 ATOM 563 C ILE 86 7.782 -3.004 -13.835 1.00 0.00 ATOM 564 N LYS 87 8.690 -3.472 -12.975 1.00 0.00 ATOM 565 CA LYS 87 10.121 -3.320 -13.193 1.00 0.00 ATOM 566 CB LYS 87 10.908 -4.199 -12.220 1.00 0.00 ATOM 567 CG LYS 87 12.411 -3.986 -12.266 1.00 0.00 ATOM 568 CD LYS 87 13.114 -4.764 -11.166 1.00 0.00 ATOM 569 CE LYS 87 14.626 -4.687 -11.313 1.00 0.00 ATOM 570 NZ LYS 87 15.329 -5.314 -10.161 1.00 0.00 ATOM 571 O LYS 87 10.779 -2.854 -15.452 1.00 0.00 ATOM 572 C LYS 87 10.473 -3.738 -14.645 1.00 0.00 ATOM 573 N GLU 88 10.325 -5.007 -15.044 1.00 0.00 ATOM 574 CA GLU 88 10.569 -5.353 -16.467 1.00 0.00 ATOM 575 CB GLU 88 9.971 -6.722 -16.795 1.00 0.00 ATOM 576 CG GLU 88 10.667 -7.885 -16.104 1.00 0.00 ATOM 577 CD GLU 88 10.015 -9.218 -16.410 1.00 0.00 ATOM 578 OE1 GLU 88 8.994 -9.230 -17.130 1.00 0.00 ATOM 579 OE2 GLU 88 10.525 -10.253 -15.932 1.00 0.00 ATOM 580 O GLU 88 10.699 -3.850 -18.303 1.00 0.00 ATOM 581 C GLU 88 9.971 -4.378 -17.484 1.00 0.00 TER END