PFRMAT TS TARGET T0368 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 One 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 T0368, we had good hits to the Tetratricopeptide repeat family METHOD (alpha/alpha superhelix fold). Unfortunately, this is not a compact METHOD globular fold, and undertaker kept trying to collapse it into METHOD something more spherical. Because of this unfortunate tendency, we METHOD have included a couple of models from alignments without optimization, METHOD to show what we believe the core of the protein looks like. METHOD METHOD METHOD Model 1 is try19-opt2, the best scoring model with the unconstrained costfcn. METHOD try19-opt2 was optimized by undertaker from try14-opt2 in turn from METHOD try1-opt2, our fully automatic model. METHOD METHOD Model 2 is try15-opt2.gromacs0.repack-nonPC, the model that Rosetta METHOD likes best to repack sidechains for (other than a ridiculous METHOD model that has very long helices and no hydrophobic core). METHOD This model was generated from try15-opt2 by reoptimizing with METHOD gromacs and repackinghte sidechains with rosetta. METHOD try15-opt2 was optimized by undertaker from METHOD try2-opt2.gromacs0.repack-nonPC, and try2 was optimized from METHOD alignments by undertaker. METHOD METHOD Model 3 is try12-opt2, was optimized by undertaker from a model METHOD hand-tweaked with ProteinShop, starting with try7-opt2, which METHOD was optimized by undertaker from an earlier ProteinShopped model: METHOD METHOD try12-opt2 < try7-movearound < try7-opt2 < try6-fliphelix METHOD < try6-opt2 < alignments METHOD METHOD Model 4 is sidechain replacement by SCWRL on an alignment to 1elwA. METHOD Model 5 is sidechain replacement by SCWRL on an alignment to 2fbnA. METHOD REMARK 6 REMARK 6 T0368 model 4 Sun Jul 30 21:49:43 2006 MODEL 4 PARENT 1elw_A ATOM 2 N GLY 9 10.550 -9.427 13.572 1.00 0.00 ATOM 3 CA GLY 9 9.616 -9.894 14.590 1.00 0.00 ATOM 4 O GLY 9 7.206 -9.989 14.577 1.00 0.00 ATOM 5 C GLY 9 8.220 -9.331 14.326 1.00 0.00 ATOM 6 N ALA 10 8.175 -8.094 13.841 1.00 0.00 ATOM 7 CA ALA 10 6.902 -7.462 13.530 1.00 0.00 ATOM 8 CB ALA 10 7.110 -5.997 13.175 1.00 0.00 ATOM 9 O ALA 10 5.102 -8.527 12.360 1.00 0.00 ATOM 10 C ALA 10 6.287 -8.196 12.345 1.00 0.00 ATOM 11 N TYR 11 7.099 -8.468 11.327 1.00 0.00 ATOM 12 CA TYR 11 6.604 -9.168 10.144 1.00 0.00 ATOM 13 CB TYR 11 7.716 -9.318 9.104 1.00 0.00 ATOM 14 CG TYR 11 7.294 -10.061 7.857 1.00 0.00 ATOM 15 CD1 TYR 11 6.548 -9.427 6.870 1.00 0.00 ATOM 16 CD2 TYR 11 7.641 -11.392 7.669 1.00 0.00 ATOM 17 CE1 TYR 11 6.158 -10.097 5.727 1.00 0.00 ATOM 18 CE2 TYR 11 7.259 -12.078 6.531 1.00 0.00 ATOM 19 CZ TYR 11 6.511 -11.418 5.558 1.00 0.00 ATOM 20 OH TYR 11 6.123 -12.087 4.420 1.00 0.00 ATOM 21 O TYR 11 5.103 -11.047 10.045 1.00 0.00 ATOM 22 C TYR 11 6.111 -10.550 10.546 1.00 0.00 ATOM 23 N LEU 12 6.850 -11.173 11.450 1.00 0.00 ATOM 24 CA LEU 12 6.513 -12.491 11.960 1.00 0.00 ATOM 25 CB LEU 12 7.502 -12.914 13.048 1.00 0.00 ATOM 26 CG LEU 12 7.259 -14.281 13.692 1.00 0.00 ATOM 27 CD1 LEU 12 7.359 -15.389 12.655 1.00 0.00 ATOM 28 CD2 LEU 12 8.286 -14.554 14.779 1.00 0.00 ATOM 29 O LEU 12 4.262 -13.302 12.191 1.00 0.00 ATOM 30 C LEU 12 5.101 -12.484 12.562 1.00 0.00 ATOM 31 N ALA 13 4.850 -11.557 13.481 1.00 0.00 ATOM 32 CA ALA 13 3.539 -11.450 14.125 1.00 0.00 ATOM 33 CB ALA 13 3.560 -10.367 15.193 1.00 0.00 ATOM 34 O ALA 13 1.322 -11.555 13.213 1.00 0.00 ATOM 35 C ALA 13 2.458 -11.097 13.103 1.00 0.00 ATOM 36 N LEU 14 2.794 -10.240 12.138 1.00 0.00 ATOM 37 CA LEU 14 1.812 -9.902 11.107 1.00 0.00 ATOM 38 CB LEU 14 2.395 -8.882 10.126 1.00 0.00 ATOM 39 CG LEU 14 1.482 -8.446 8.980 1.00 0.00 ATOM 40 CD1 LEU 14 0.232 -7.764 9.516 1.00 0.00 ATOM 41 CD2 LEU 14 2.199 -7.466 8.063 1.00 0.00 ATOM 42 O LEU 14 0.238 -11.395 10.066 1.00 0.00 ATOM 43 C LEU 14 1.421 -11.167 10.332 1.00 0.00 ATOM 44 N SER 15 2.421 -11.970 9.953 1.00 0.00 ATOM 45 CA SER 15 2.170 -13.201 9.205 1.00 0.00 ATOM 46 CB SER 15 3.489 -13.873 8.821 1.00 0.00 ATOM 47 OG SER 15 4.219 -13.077 7.904 1.00 0.00 ATOM 48 O SER 15 0.497 -14.875 9.523 1.00 0.00 ATOM 49 C SER 15 1.363 -14.176 10.037 1.00 0.00 ATOM 50 N ASP 16 1.664 -14.229 11.326 1.00 0.00 ATOM 51 CA ASP 16 0.949 -15.128 12.224 1.00 0.00 ATOM 52 CB ASP 16 1.536 -15.055 13.635 1.00 0.00 ATOM 53 CG ASP 16 2.890 -15.731 13.737 1.00 0.00 ATOM 54 OD1 ASP 16 3.267 -16.454 12.790 1.00 0.00 ATOM 55 OD2 ASP 16 3.576 -15.536 14.762 1.00 0.00 ATOM 56 O ASP 16 -1.432 -15.500 12.234 1.00 0.00 ATOM 57 C ASP 16 -0.510 -14.680 12.239 1.00 0.00 ATOM 58 N ALA 17 -0.703 -13.367 12.260 1.00 0.00 ATOM 59 CA ALA 17 -2.055 -12.831 12.249 1.00 0.00 ATOM 60 CB ALA 17 -2.026 -11.318 12.401 1.00 0.00 ATOM 61 O ALA 17 -3.939 -13.555 10.962 1.00 0.00 ATOM 62 C ALA 17 -2.771 -13.158 10.949 1.00 0.00 ATOM 63 N GLN 18 -2.076 -12.992 9.823 1.00 0.00 ATOM 64 CA GLN 18 -2.672 -13.291 8.524 1.00 0.00 ATOM 65 CB GLN 18 -1.671 -13.020 7.400 1.00 0.00 ATOM 66 CG GLN 18 -1.379 -11.545 7.170 1.00 0.00 ATOM 67 CD GLN 18 -0.301 -11.319 6.130 1.00 0.00 ATOM 68 OE1 GLN 18 0.303 -12.270 5.632 1.00 0.00 ATOM 69 NE2 GLN 18 -0.057 -10.058 5.796 1.00 0.00 ATOM 70 O GLN 18 -4.146 -15.109 7.936 1.00 0.00 ATOM 71 C GLN 18 -3.087 -14.773 8.476 1.00 0.00 ATOM 72 N ARG 19 -2.245 -15.649 9.020 1.00 0.00 ATOM 73 CA ARG 19 -2.566 -17.079 9.032 1.00 0.00 ATOM 74 CB ARG 19 -1.386 -17.889 9.576 1.00 0.00 ATOM 75 CG ARG 19 -0.194 -17.954 8.635 1.00 0.00 ATOM 76 CD ARG 19 0.967 -18.704 9.267 1.00 0.00 ATOM 77 NE ARG 19 2.125 -18.772 8.378 1.00 0.00 ATOM 78 CZ ARG 19 3.296 -19.303 8.716 1.00 0.00 ATOM 79 NH1 ARG 19 4.292 -19.320 7.841 1.00 0.00 ATOM 80 NH2 ARG 19 3.467 -19.815 9.926 1.00 0.00 ATOM 81 O ARG 19 -4.653 -18.160 9.517 1.00 0.00 ATOM 82 C ARG 19 -3.778 -17.376 9.908 1.00 0.00 ATOM 83 N GLN 20 -3.848 -16.751 11.081 1.00 0.00 ATOM 84 CA GLN 20 -4.985 -16.968 11.966 1.00 0.00 ATOM 85 CB GLN 20 -4.823 -16.160 13.256 1.00 0.00 ATOM 86 CG GLN 20 -3.686 -16.634 14.146 1.00 0.00 ATOM 87 CD GLN 20 -3.879 -18.059 14.629 1.00 0.00 ATOM 88 OE1 GLN 20 -4.970 -18.438 15.055 1.00 0.00 ATOM 89 NE2 GLN 20 -2.817 -18.854 14.562 1.00 0.00 ATOM 90 O GLN 20 -7.282 -17.206 11.274 1.00 0.00 ATOM 91 C GLN 20 -6.253 -16.526 11.253 1.00 0.00 ATOM 92 N LEU 21 -6.167 -15.379 10.594 1.00 0.00 ATOM 93 CA LEU 21 -7.326 -14.868 9.884 1.00 0.00 ATOM 94 CB LEU 21 -7.016 -13.506 9.261 1.00 0.00 ATOM 95 CG LEU 21 -8.157 -12.837 8.492 1.00 0.00 ATOM 96 CD1 LEU 21 -9.338 -12.567 9.411 1.00 0.00 ATOM 97 CD2 LEU 21 -7.702 -11.512 7.901 1.00 0.00 ATOM 98 O LEU 21 -8.913 -16.084 8.539 1.00 0.00 ATOM 99 C LEU 21 -7.716 -15.848 8.775 1.00 0.00 ATOM 100 N VAL 22 -6.721 -16.439 8.116 1.00 0.00 ATOM 101 CA VAL 22 -6.992 -17.377 7.020 1.00 0.00 ATOM 102 CB VAL 22 -5.690 -17.834 6.333 1.00 0.00 ATOM 103 CG1 VAL 22 -5.976 -18.947 5.338 1.00 0.00 ATOM 104 CG2 VAL 22 -5.046 -16.676 5.588 1.00 0.00 ATOM 105 O VAL 22 -8.443 -19.240 6.706 1.00 0.00 ATOM 106 C VAL 22 -7.706 -18.637 7.483 1.00 0.00 ATOM 107 N ALA 23 -7.497 -19.044 8.732 1.00 0.00 ATOM 108 CA ALA 23 -8.199 -20.241 9.224 1.00 0.00 ATOM 109 CB ALA 23 -7.296 -21.042 10.148 1.00 0.00 ATOM 110 O ALA 23 -10.066 -20.687 10.695 1.00 0.00 ATOM 111 C ALA 23 -9.458 -19.858 10.000 1.00 0.00 ATOM 112 N GLY 24 -9.863 -18.596 9.893 1.00 0.00 ATOM 113 CA GLY 24 -11.079 -18.151 10.564 1.00 0.00 ATOM 114 O GLY 24 -11.996 -17.622 12.703 1.00 0.00 ATOM 115 C GLY 24 -10.978 -17.827 12.038 1.00 0.00 ATOM 116 N GLU 25 -9.755 -17.770 12.566 1.00 0.00 ATOM 117 CA GLU 25 -9.574 -17.458 13.980 1.00 0.00 ATOM 118 CB GLU 25 -8.376 -18.223 14.550 1.00 0.00 ATOM 119 CG GLU 25 -8.510 -19.735 14.465 1.00 0.00 ATOM 120 CD GLU 25 -7.265 -20.456 14.944 1.00 0.00 ATOM 121 OE1 GLU 25 -6.274 -19.773 15.280 1.00 0.00 ATOM 122 OE2 GLU 25 -7.281 -21.704 14.982 1.00 0.00 ATOM 123 O GLU 25 -8.209 -15.512 14.247 1.00 0.00 ATOM 124 C GLU 25 -9.335 -15.959 14.064 1.00 0.00 ATOM 125 N TYR 26 -10.421 -15.194 13.940 1.00 0.00 ATOM 126 CA TYR 26 -10.308 -13.731 13.941 1.00 0.00 ATOM 127 CB TYR 26 -11.672 -13.088 13.687 1.00 0.00 ATOM 128 CG TYR 26 -12.137 -13.184 12.252 1.00 0.00 ATOM 129 CD1 TYR 26 -13.132 -14.082 11.885 1.00 0.00 ATOM 130 CD2 TYR 26 -11.580 -12.377 11.269 1.00 0.00 ATOM 131 CE1 TYR 26 -13.562 -14.177 10.576 1.00 0.00 ATOM 132 CE2 TYR 26 -11.999 -12.457 9.955 1.00 0.00 ATOM 133 CZ TYR 26 -12.999 -13.368 9.614 1.00 0.00 ATOM 134 OH TYR 26 -13.426 -13.460 8.308 1.00 0.00 ATOM 135 O TYR 26 -8.967 -12.237 15.252 1.00 0.00 ATOM 136 C TYR 26 -9.788 -13.160 15.261 1.00 0.00 ATOM 137 N ASP 27 -10.243 -13.684 16.400 1.00 0.00 ATOM 138 CA ASP 27 -9.741 -13.161 17.671 1.00 0.00 ATOM 139 CB ASP 27 -10.430 -13.855 18.847 1.00 0.00 ATOM 140 CG ASP 27 -11.869 -13.412 19.024 1.00 0.00 ATOM 141 OD1 ASP 27 -12.262 -12.407 18.395 1.00 0.00 ATOM 142 OD2 ASP 27 -12.603 -14.069 19.792 1.00 0.00 ATOM 143 O ASP 27 -7.522 -12.537 18.394 1.00 0.00 ATOM 144 C ASP 27 -8.232 -13.378 17.819 1.00 0.00 ATOM 145 N GLU 28 -7.727 -14.490 17.295 1.00 0.00 ATOM 146 CA GLU 28 -6.296 -14.754 17.351 1.00 0.00 ATOM 147 CB GLU 28 -5.997 -16.183 16.890 1.00 0.00 ATOM 148 CG GLU 28 -6.457 -17.257 17.861 1.00 0.00 ATOM 149 CD GLU 28 -5.831 -17.109 19.233 1.00 0.00 ATOM 150 OE1 GLU 28 -4.589 -17.016 19.313 1.00 0.00 ATOM 151 OE2 GLU 28 -6.585 -17.087 20.229 1.00 0.00 ATOM 152 O GLU 28 -4.526 -13.251 16.762 1.00 0.00 ATOM 153 C GLU 28 -5.585 -13.761 16.431 1.00 0.00 ATOM 154 N ALA 29 -6.187 -13.482 15.282 1.00 0.00 ATOM 155 CA ALA 29 -5.596 -12.547 14.341 1.00 0.00 ATOM 156 CB ALA 29 -6.455 -12.439 13.090 1.00 0.00 ATOM 157 O ALA 29 -4.445 -10.505 14.938 1.00 0.00 ATOM 158 C ALA 29 -5.494 -11.171 15.008 1.00 0.00 ATOM 159 N ALA 30 -6.571 -10.744 15.660 1.00 0.00 ATOM 160 CA ALA 30 -6.571 -9.430 16.318 1.00 0.00 ATOM 161 CB ALA 30 -7.911 -9.173 16.991 1.00 0.00 ATOM 162 O ALA 30 -4.831 -8.322 17.561 1.00 0.00 ATOM 163 C ALA 30 -5.484 -9.343 17.385 1.00 0.00 ATOM 164 N ALA 31 -5.297 -10.433 18.109 1.00 0.00 ATOM 165 CA ALA 31 -4.301 -10.461 19.157 1.00 0.00 ATOM 166 CB ALA 31 -4.377 -11.772 19.926 1.00 0.00 ATOM 167 O ALA 31 -2.075 -9.566 19.008 1.00 0.00 ATOM 168 C ALA 31 -2.913 -10.324 18.525 1.00 0.00 ATOM 169 N ASN 32 -2.676 -11.043 17.429 1.00 0.00 ATOM 170 CA ASN 32 -1.381 -10.971 16.752 1.00 0.00 ATOM 171 CB ASN 32 -1.339 -11.943 15.571 1.00 0.00 ATOM 172 CG ASN 32 -1.235 -13.391 16.010 1.00 0.00 ATOM 173 ND2 ASN 32 -1.587 -14.306 15.116 1.00 0.00 ATOM 174 OD1 ASN 32 -0.842 -13.678 17.141 1.00 0.00 ATOM 175 O ASN 32 -0.044 -9.024 16.395 1.00 0.00 ATOM 176 C ASN 32 -1.129 -9.563 16.223 1.00 0.00 ATOM 177 N CYS 33 -2.116 -8.986 15.538 1.00 0.00 ATOM 178 CA CYS 33 -1.921 -7.632 15.011 1.00 0.00 ATOM 179 CB CYS 33 -3.134 -7.198 14.186 1.00 0.00 ATOM 180 SG CYS 33 -3.334 -8.089 12.626 1.00 0.00 ATOM 181 O CYS 33 -0.906 -5.701 16.025 1.00 0.00 ATOM 182 C CYS 33 -1.730 -6.613 16.131 1.00 0.00 ATOM 183 N ARG 34 -2.490 -6.765 17.206 1.00 0.00 ATOM 184 CA ARG 34 -2.372 -5.839 18.322 1.00 0.00 ATOM 185 CB ARG 34 -3.432 -6.142 19.384 1.00 0.00 ATOM 186 CG ARG 34 -4.848 -5.781 18.966 1.00 0.00 ATOM 187 CD ARG 34 -5.856 -6.178 20.033 1.00 0.00 ATOM 188 NE ARG 34 -7.224 -5.843 19.646 1.00 0.00 ATOM 189 CZ ARG 34 -8.300 -6.152 20.361 1.00 0.00 ATOM 190 NH1 ARG 34 -9.505 -5.806 19.930 1.00 0.00 ATOM 191 NH2 ARG 34 -8.169 -6.807 21.506 1.00 0.00 ATOM 192 O ARG 34 -0.449 -4.925 19.403 1.00 0.00 ATOM 193 C ARG 34 -0.997 -5.937 18.989 1.00 0.00 ATOM 194 N ARG 35 -0.438 -7.148 19.086 1.00 0.00 ATOM 195 CA ARG 35 0.887 -7.322 19.683 1.00 0.00 ATOM 196 CB ARG 35 1.211 -8.810 19.843 1.00 0.00 ATOM 197 CG ARG 35 0.403 -9.508 20.924 1.00 0.00 ATOM 198 CD ARG 35 0.718 -10.995 20.975 1.00 0.00 ATOM 199 NE ARG 35 -0.054 -11.682 22.007 1.00 0.00 ATOM 200 CZ ARG 35 -0.027 -12.995 22.210 1.00 0.00 ATOM 201 NH1 ARG 35 -0.763 -13.533 23.172 1.00 0.00 ATOM 202 NH2 ARG 35 0.736 -13.768 21.449 1.00 0.00 ATOM 203 O ARG 35 2.883 -6.046 19.251 1.00 0.00 ATOM 204 C ARG 35 1.935 -6.678 18.780 1.00 0.00 ATOM 205 N ALA 36 1.767 -6.825 17.471 1.00 0.00 ATOM 206 CA ALA 36 2.709 -6.226 16.538 1.00 0.00 ATOM 207 CB ALA 36 2.395 -6.659 15.114 1.00 0.00 ATOM 208 O ALA 36 3.645 -4.007 16.533 1.00 0.00 ATOM 209 C ALA 36 2.626 -4.704 16.619 1.00 0.00 ATOM 210 N MET 37 1.412 -4.193 16.774 1.00 0.00 ATOM 211 CA MET 37 1.204 -2.756 16.833 1.00 0.00 ATOM 212 CB MET 37 -0.290 -2.436 16.919 1.00 0.00 ATOM 213 CG MET 37 -0.604 -0.949 16.962 1.00 0.00 ATOM 214 SD MET 37 -2.372 -0.614 17.076 1.00 0.00 ATOM 215 CE MET 37 -2.695 -1.080 18.775 1.00 0.00 ATOM 216 O MET 37 2.410 -1.046 18.002 1.00 0.00 ATOM 217 C MET 37 1.889 -2.162 18.054 1.00 0.00 ATOM 218 N GLU 38 1.902 -2.918 19.144 1.00 0.00 ATOM 219 CA GLU 38 2.548 -2.469 20.375 1.00 0.00 ATOM 220 CB GLU 38 2.351 -3.499 21.490 1.00 0.00 ATOM 221 CG GLU 38 0.927 -3.581 22.013 1.00 0.00 ATOM 222 CD GLU 38 0.743 -4.693 23.027 1.00 0.00 ATOM 223 OE1 GLU 38 1.711 -5.446 23.265 1.00 0.00 ATOM 224 OE2 GLU 38 -0.370 -4.812 23.583 1.00 0.00 ATOM 225 O GLU 38 4.673 -1.340 20.558 1.00 0.00 ATOM 226 C GLU 38 4.039 -2.295 20.095 1.00 0.00 ATOM 227 N ILE 39 4.601 -3.224 19.326 1.00 0.00 ATOM 228 CA ILE 39 6.021 -3.169 18.976 1.00 0.00 ATOM 229 CB ILE 39 6.513 -4.512 18.405 1.00 0.00 ATOM 230 CG1 ILE 39 6.509 -5.588 19.492 1.00 0.00 ATOM 231 CG2 ILE 39 7.929 -4.374 17.867 1.00 0.00 ATOM 232 CD1 ILE 39 6.727 -6.989 18.965 1.00 0.00 ATOM 233 O ILE 39 7.424 -1.521 17.952 1.00 0.00 ATOM 234 C ILE 39 6.349 -2.113 17.928 1.00 0.00 ATOM 235 N SER 40 5.411 -1.876 17.016 1.00 0.00 ATOM 236 CA SER 40 5.635 -0.963 15.899 1.00 0.00 ATOM 237 CB SER 40 5.957 -1.746 14.624 1.00 0.00 ATOM 238 OG SER 40 6.348 -0.876 13.576 1.00 0.00 ATOM 239 O SER 40 3.610 -0.386 14.755 1.00 0.00 ATOM 240 C SER 40 4.358 -0.158 15.711 1.00 0.00 ATOM 241 N HIS 41 4.105 0.811 16.603 1.00 0.00 ATOM 242 CA HIS 41 2.896 1.638 16.540 1.00 0.00 ATOM 243 CB HIS 41 2.830 2.585 17.740 1.00 0.00 ATOM 244 CG HIS 41 3.860 3.670 17.711 1.00 0.00 ATOM 245 CD2 HIS 41 3.898 5.051 17.257 1.00 0.00 ATOM 246 ND1 HIS 41 5.139 3.495 18.192 1.00 0.00 ATOM 247 CE1 HIS 41 5.828 4.639 18.031 1.00 0.00 ATOM 248 NE2 HIS 41 5.089 5.578 17.470 1.00 0.00 ATOM 249 O HIS 41 1.639 3.138 15.208 1.00 0.00 ATOM 250 C HIS 41 2.699 2.548 15.343 1.00 0.00 ATOM 251 N THR 42 3.706 2.654 14.484 1.00 0.00 ATOM 252 CA THR 42 3.601 3.511 13.311 1.00 0.00 ATOM 253 CB THR 42 4.840 4.411 13.156 1.00 0.00 ATOM 254 CG2 THR 42 4.984 5.332 14.359 1.00 0.00 ATOM 255 OG1 THR 42 6.015 3.597 13.052 1.00 0.00 ATOM 256 O THR 42 3.541 3.251 10.951 1.00 0.00 ATOM 257 C THR 42 3.470 2.698 12.048 1.00 0.00 ATOM 258 N ASP 55 3.265 1.391 12.186 1.00 0.00 ATOM 259 CA ASP 55 3.154 0.535 11.008 1.00 0.00 ATOM 260 CB ASP 55 3.545 -0.904 11.351 1.00 0.00 ATOM 261 CG ASP 55 3.489 -1.826 10.150 1.00 0.00 ATOM 262 OD1 ASP 55 3.029 -1.378 9.079 1.00 0.00 ATOM 263 OD2 ASP 55 3.905 -2.996 10.279 1.00 0.00 ATOM 264 O ASP 55 0.856 -0.183 10.978 1.00 0.00 ATOM 265 C ASP 55 1.719 0.519 10.463 1.00 0.00 ATOM 266 N ALA 56 1.482 1.278 9.398 1.00 0.00 ATOM 267 CA ALA 56 0.156 1.366 8.807 1.00 0.00 ATOM 268 CB ALA 56 0.178 2.277 7.590 1.00 0.00 ATOM 269 O ALA 56 -1.637 -0.171 8.329 1.00 0.00 ATOM 270 C ALA 56 -0.406 0.032 8.340 1.00 0.00 ATOM 271 N PHE 57 0.471 -0.877 7.920 1.00 0.00 ATOM 272 CA PHE 57 -0.011 -2.163 7.430 1.00 0.00 ATOM 273 CB PHE 57 1.152 -3.010 6.912 1.00 0.00 ATOM 274 CG PHE 57 1.633 -2.609 5.547 1.00 0.00 ATOM 275 CD1 PHE 57 2.777 -1.845 5.397 1.00 0.00 ATOM 276 CD2 PHE 57 0.942 -2.998 4.412 1.00 0.00 ATOM 277 CE1 PHE 57 3.219 -1.475 4.140 1.00 0.00 ATOM 278 CE2 PHE 57 1.386 -2.629 3.155 1.00 0.00 ATOM 279 CZ PHE 57 2.519 -1.872 3.018 1.00 0.00 ATOM 280 O PHE 57 -1.708 -3.603 8.302 1.00 0.00 ATOM 281 C PHE 57 -0.707 -2.934 8.538 1.00 0.00 ATOM 282 N CYS 58 -0.184 -2.825 9.757 1.00 0.00 ATOM 283 CA CYS 58 -0.790 -3.541 10.879 1.00 0.00 ATOM 284 CB CYS 58 0.057 -3.372 12.142 1.00 0.00 ATOM 285 SG CYS 58 1.647 -4.232 12.096 1.00 0.00 ATOM 286 O CYS 58 -3.113 -3.797 11.408 1.00 0.00 ATOM 287 C CYS 58 -2.189 -3.012 11.170 1.00 0.00 ATOM 288 N HIS 59 -2.363 -1.692 11.150 1.00 0.00 ATOM 289 CA HIS 59 -3.693 -1.133 11.414 1.00 0.00 ATOM 290 CB HIS 59 -3.619 0.389 11.544 1.00 0.00 ATOM 291 CG HIS 59 -2.990 0.857 12.818 1.00 0.00 ATOM 292 CD2 HIS 59 -3.478 1.278 14.124 1.00 0.00 ATOM 293 ND1 HIS 59 -1.627 0.979 12.976 1.00 0.00 ATOM 294 CE1 HIS 59 -1.367 1.417 14.220 1.00 0.00 ATOM 295 NE2 HIS 59 -2.473 1.599 14.915 1.00 0.00 ATOM 296 O HIS 59 -5.837 -1.700 10.520 1.00 0.00 ATOM 297 C HIS 59 -4.655 -1.468 10.285 1.00 0.00 ATOM 298 N ALA 60 -4.147 -1.502 9.057 1.00 0.00 ATOM 299 CA ALA 60 -5.002 -1.824 7.933 1.00 0.00 ATOM 300 CB ALA 60 -4.245 -1.654 6.626 1.00 0.00 ATOM 301 O ALA 60 -6.641 -3.571 7.864 1.00 0.00 ATOM 302 C ALA 60 -5.463 -3.276 8.066 1.00 0.00 ATOM 303 N GLY 61 -4.549 -4.174 8.422 1.00 0.00 ATOM 304 CA GLY 61 -4.934 -5.588 8.585 1.00 0.00 ATOM 305 O GLY 61 -6.851 -6.525 9.710 1.00 0.00 ATOM 306 C GLY 61 -5.890 -5.744 9.773 1.00 0.00 ATOM 307 N LEU 62 -5.650 -5.018 10.858 1.00 0.00 ATOM 308 CA LEU 62 -6.534 -5.165 12.006 1.00 0.00 ATOM 309 CB LEU 62 -5.971 -4.418 13.216 1.00 0.00 ATOM 310 CG LEU 62 -6.725 -4.598 14.534 1.00 0.00 ATOM 311 CD1 LEU 62 -6.748 -6.063 14.946 1.00 0.00 ATOM 312 CD2 LEU 62 -6.059 -3.803 15.648 1.00 0.00 ATOM 313 O LEU 62 -8.919 -5.097 12.127 1.00 0.00 ATOM 314 C LEU 62 -7.903 -4.595 11.662 1.00 0.00 ATOM 315 N ALA 63 -7.940 -3.548 10.842 1.00 0.00 ATOM 316 CA ALA 63 -9.227 -2.983 10.446 1.00 0.00 ATOM 317 CB ALA 63 -9.019 -1.781 9.537 1.00 0.00 ATOM 318 O ALA 63 -11.195 -4.257 9.929 1.00 0.00 ATOM 319 C ALA 63 -10.004 -4.074 9.701 1.00 0.00 ATOM 320 N GLU 64 -9.313 -4.800 8.829 1.00 0.00 ATOM 321 CA GLU 64 -9.930 -5.879 8.062 1.00 0.00 ATOM 322 CB GLU 64 -8.904 -6.529 7.131 1.00 0.00 ATOM 323 CG GLU 64 -9.473 -7.635 6.258 1.00 0.00 ATOM 324 CD GLU 64 -8.436 -8.233 5.326 1.00 0.00 ATOM 325 OE1 GLU 64 -7.275 -7.772 5.355 1.00 0.00 ATOM 326 OE2 GLU 64 -8.784 -9.162 4.568 1.00 0.00 ATOM 327 O GLU 64 -11.611 -7.414 8.819 1.00 0.00 ATOM 328 C GLU 64 -10.479 -6.945 8.992 1.00 0.00 ATOM 329 N ALA 65 -9.679 -7.335 9.980 1.00 0.00 ATOM 330 CA ALA 65 -10.115 -8.368 10.921 1.00 0.00 ATOM 331 CB ALA 65 -9.004 -8.690 11.907 1.00 0.00 ATOM 332 O ALA 65 -12.314 -8.648 11.889 1.00 0.00 ATOM 333 C ALA 65 -11.346 -7.890 11.711 1.00 0.00 ATOM 334 N LEU 66 -11.327 -6.642 12.178 1.00 0.00 ATOM 335 CA LEU 66 -12.490 -6.111 12.908 1.00 0.00 ATOM 336 CB LEU 66 -12.212 -4.687 13.395 1.00 0.00 ATOM 337 CG LEU 66 -11.174 -4.543 14.511 1.00 0.00 ATOM 338 CD1 LEU 66 -10.863 -3.077 14.770 1.00 0.00 ATOM 339 CD2 LEU 66 -11.686 -5.157 15.805 1.00 0.00 ATOM 340 O LEU 66 -14.859 -6.371 12.443 1.00 0.00 ATOM 341 C LEU 66 -13.726 -6.078 12.000 1.00 0.00 ATOM 342 N ALA 67 -13.533 -5.727 10.735 1.00 0.00 ATOM 343 CA ALA 67 -14.665 -5.691 9.806 1.00 0.00 ATOM 344 CB ALA 67 -14.226 -5.146 8.456 1.00 0.00 ATOM 345 O ALA 67 -16.430 -7.300 9.537 1.00 0.00 ATOM 346 C ALA 67 -15.218 -7.104 9.613 1.00 0.00 ATOM 347 N GLY 68 -14.332 -8.096 9.527 1.00 0.00 ATOM 348 CA GLY 68 -14.796 -9.476 9.364 1.00 0.00 ATOM 349 O GLY 68 -16.529 -10.681 10.518 1.00 0.00 ATOM 350 C GLY 68 -15.545 -9.941 10.606 1.00 0.00 ATOM 351 N LEU 69 -15.090 -9.500 11.766 1.00 0.00 ATOM 352 CA LEU 69 -15.708 -9.842 13.043 1.00 0.00 ATOM 353 CB LEU 69 -14.813 -9.409 14.205 1.00 0.00 ATOM 354 CG LEU 69 -15.269 -9.827 15.605 1.00 0.00 ATOM 355 CD1 LEU 69 -15.357 -11.342 15.711 1.00 0.00 ATOM 356 CD2 LEU 69 -14.290 -9.334 16.658 1.00 0.00 ATOM 357 O LEU 69 -17.912 -9.629 13.972 1.00 0.00 ATOM 358 C LEU 69 -17.055 -9.162 13.216 1.00 0.00 ATOM 359 N ARG 70 -17.218 -8.036 12.541 1.00 0.00 ATOM 360 CA ARG 70 -18.446 -7.279 12.640 1.00 0.00 ATOM 361 CB ARG 70 -19.604 -8.188 13.058 1.00 0.00 ATOM 362 CG ARG 70 -19.988 -9.223 12.013 1.00 0.00 ATOM 363 CD ARG 70 -21.135 -10.095 12.496 1.00 0.00 ATOM 364 NE ARG 70 -21.486 -11.126 11.523 1.00 0.00 ATOM 365 CZ ARG 70 -22.424 -12.049 11.717 1.00 0.00 ATOM 366 NH1 ARG 70 -22.674 -12.947 10.775 1.00 0.00 ATOM 367 NH2 ARG 70 -23.109 -12.068 12.852 1.00 0.00 ATOM 368 O ARG 70 -19.419 -5.678 14.092 1.00 0.00 ATOM 369 C ARG 70 -18.377 -6.155 13.655 1.00 0.00 ATOM 370 N SER 71 -17.174 -5.726 14.044 1.00 0.00 ATOM 371 CA SER 71 -17.053 -4.611 14.981 1.00 0.00 ATOM 372 CB SER 71 -16.002 -4.919 16.050 1.00 0.00 ATOM 373 OG SER 71 -15.893 -3.857 16.980 1.00 0.00 ATOM 374 O SER 71 -15.451 -3.161 13.911 1.00 0.00 ATOM 375 C SER 71 -16.640 -3.460 14.086 1.00 0.00 ATOM 376 N PHE 72 -17.638 -2.822 13.500 1.00 0.00 ATOM 377 CA PHE 72 -17.370 -1.770 12.560 1.00 0.00 ATOM 378 CB PHE 72 -18.653 -1.358 11.835 1.00 0.00 ATOM 379 CG PHE 72 -19.099 -2.341 10.791 1.00 0.00 ATOM 380 CD1 PHE 72 -20.143 -3.215 11.041 1.00 0.00 ATOM 381 CD2 PHE 72 -18.475 -2.392 9.557 1.00 0.00 ATOM 382 CE1 PHE 72 -20.554 -4.119 10.079 1.00 0.00 ATOM 383 CE2 PHE 72 -18.886 -3.296 8.595 1.00 0.00 ATOM 384 CZ PHE 72 -19.921 -4.157 8.851 1.00 0.00 ATOM 385 O PHE 72 -16.107 0.229 12.455 1.00 0.00 ATOM 386 C PHE 72 -16.803 -0.489 13.146 1.00 0.00 ATOM 387 N ASP 73 -17.097 -0.200 14.413 1.00 0.00 ATOM 388 CA ASP 73 -16.523 0.998 15.022 1.00 0.00 ATOM 389 CB ASP 73 -17.101 1.217 16.422 1.00 0.00 ATOM 390 CG ASP 73 -18.544 1.681 16.390 1.00 0.00 ATOM 391 OD1 ASP 73 -19.019 2.069 15.302 1.00 0.00 ATOM 392 OD2 ASP 73 -19.199 1.658 17.453 1.00 0.00 ATOM 393 O ASP 73 -14.232 1.724 14.781 1.00 0.00 ATOM 394 C ASP 73 -15.007 0.822 15.124 1.00 0.00 ATOM 395 N GLU 74 -14.562 -0.339 15.589 1.00 0.00 ATOM 396 CA GLU 74 -13.117 -0.551 15.668 1.00 0.00 ATOM 397 CB GLU 74 -12.806 -1.851 16.413 1.00 0.00 ATOM 398 CG GLU 74 -13.111 -1.800 17.901 1.00 0.00 ATOM 399 CD GLU 74 -12.908 -3.139 18.582 1.00 0.00 ATOM 400 OE1 GLU 74 -12.597 -4.123 17.879 1.00 0.00 ATOM 401 OE2 GLU 74 -13.059 -3.204 19.821 1.00 0.00 ATOM 402 O GLU 74 -11.376 -0.175 14.060 1.00 0.00 ATOM 403 C GLU 74 -12.489 -0.645 14.272 1.00 0.00 ATOM 404 N ALA 75 -13.195 -1.231 13.309 1.00 0.00 ATOM 405 CA ALA 75 -12.656 -1.290 11.942 1.00 0.00 ATOM 406 CB ALA 75 -13.631 -2.002 11.017 1.00 0.00 ATOM 407 O ALA 75 -11.442 0.468 10.791 1.00 0.00 ATOM 408 C ALA 75 -12.438 0.140 11.458 1.00 0.00 ATOM 409 N LEU 76 -13.399 1.002 11.789 1.00 0.00 ATOM 410 CA LEU 76 -13.316 2.402 11.396 1.00 0.00 ATOM 411 CB LEU 76 -14.587 3.149 11.806 1.00 0.00 ATOM 412 CG LEU 76 -14.634 4.640 11.470 1.00 0.00 ATOM 413 CD1 LEU 76 -14.551 4.856 9.967 1.00 0.00 ATOM 414 CD2 LEU 76 -15.930 5.262 11.968 1.00 0.00 ATOM 415 O LEU 76 -11.368 3.801 11.396 1.00 0.00 ATOM 416 C LEU 76 -12.127 3.097 12.058 1.00 0.00 ATOM 417 N HIS 77 -11.978 2.910 13.361 1.00 0.00 ATOM 418 CA HIS 77 -10.871 3.554 14.070 1.00 0.00 ATOM 419 CB HIS 77 -10.871 3.150 15.546 1.00 0.00 ATOM 420 CG HIS 77 -11.984 3.762 16.339 1.00 0.00 ATOM 421 CD2 HIS 77 -13.141 3.257 17.064 1.00 0.00 ATOM 422 ND1 HIS 77 -12.100 5.120 16.533 1.00 0.00 ATOM 423 CE1 HIS 77 -13.192 5.364 17.280 1.00 0.00 ATOM 424 NE2 HIS 77 -13.820 4.250 17.602 1.00 0.00 ATOM 425 O HIS 77 -8.637 3.996 13.301 1.00 0.00 ATOM 426 C HIS 77 -9.525 3.155 13.472 1.00 0.00 ATOM 427 N SER 78 -9.359 1.869 13.169 1.00 0.00 ATOM 428 CA SER 78 -8.115 1.401 12.581 1.00 0.00 ATOM 429 CB SER 78 -8.085 -0.129 12.539 1.00 0.00 ATOM 430 OG SER 78 -8.073 -0.675 13.845 1.00 0.00 ATOM 431 O SER 78 -6.794 2.123 10.723 1.00 0.00 ATOM 432 C SER 78 -7.921 1.903 11.148 1.00 0.00 ATOM 433 N ALA 79 -9.016 2.056 10.401 1.00 0.00 ATOM 434 CA ALA 79 -8.913 2.591 9.056 1.00 0.00 ATOM 435 CB ALA 79 -10.261 2.521 8.354 1.00 0.00 ATOM 436 O ALA 79 -7.632 4.490 8.379 1.00 0.00 ATOM 437 C ALA 79 -8.461 4.042 9.167 1.00 0.00 ATOM 438 N ASP 80 -9.015 4.781 10.135 1.00 0.00 ATOM 439 CA ASP 80 -8.599 6.179 10.338 1.00 0.00 ATOM 440 CB ASP 80 -9.391 6.814 11.483 1.00 0.00 ATOM 441 CG ASP 80 -10.831 7.102 11.105 1.00 0.00 ATOM 442 OD1 ASP 80 -11.154 7.034 9.900 1.00 0.00 ATOM 443 OD2 ASP 80 -11.637 7.396 12.012 1.00 0.00 ATOM 444 O ASP 80 -6.401 7.151 10.190 1.00 0.00 ATOM 445 C ASP 80 -7.122 6.273 10.682 1.00 0.00 ATOM 446 N LYS 81 -6.657 5.385 11.550 1.00 0.00 ATOM 447 CA LYS 81 -5.252 5.399 11.938 1.00 0.00 ATOM 448 CB LYS 81 -4.986 4.355 13.025 1.00 0.00 ATOM 449 CG LYS 81 -5.592 4.698 14.376 1.00 0.00 ATOM 450 CD LYS 81 -5.288 3.623 15.406 1.00 0.00 ATOM 451 CE LYS 81 -5.915 3.955 16.751 1.00 0.00 ATOM 452 NZ LYS 81 -5.654 2.894 17.763 1.00 0.00 ATOM 453 O LYS 81 -3.273 5.641 10.591 1.00 0.00 ATOM 454 C LYS 81 -4.366 5.080 10.730 1.00 0.00 ATOM 455 N ALA 82 -4.838 4.197 9.850 1.00 0.00 ATOM 456 CA ALA 82 -4.051 3.834 8.664 1.00 0.00 ATOM 457 CB ALA 82 -4.771 2.765 7.856 1.00 0.00 ATOM 458 O ALA 82 -2.752 5.365 7.355 1.00 0.00 ATOM 459 C ALA 82 -3.861 5.080 7.804 1.00 0.00 ATOM 460 N LEU 83 -4.943 5.828 7.589 1.00 0.00 ATOM 461 CA LEU 83 -4.872 7.053 6.782 1.00 0.00 ATOM 462 CB LEU 83 -6.265 7.656 6.600 1.00 0.00 ATOM 463 CG LEU 83 -6.347 8.935 5.763 1.00 0.00 ATOM 464 CD1 LEU 83 -5.862 8.679 4.343 1.00 0.00 ATOM 465 CD2 LEU 83 -7.780 9.439 5.690 1.00 0.00 ATOM 466 O LEU 83 -3.178 8.769 6.787 1.00 0.00 ATOM 467 C LEU 83 -3.976 8.099 7.466 1.00 0.00 ATOM 468 N HIS 84 -4.105 8.231 8.796 1.00 0.00 ATOM 469 CA HIS 84 -3.287 9.196 9.564 1.00 0.00 ATOM 470 CB HIS 84 -3.616 9.109 11.055 1.00 0.00 ATOM 471 CG HIS 84 -2.829 10.060 11.904 1.00 0.00 ATOM 472 CD2 HIS 84 -1.740 9.939 12.861 1.00 0.00 ATOM 473 ND1 HIS 84 -3.058 11.419 11.905 1.00 0.00 ATOM 474 CE1 HIS 84 -2.202 12.005 12.763 1.00 0.00 ATOM 475 NE2 HIS 84 -1.407 11.124 13.338 1.00 0.00 ATOM 476 O HIS 84 -0.968 9.826 9.198 1.00 0.00 ATOM 477 C HIS 84 -1.789 8.914 9.387 1.00 0.00 ATOM 478 N TYR 85 -1.432 7.639 9.445 1.00 0.00 ATOM 479 CA TYR 85 -0.038 7.232 9.316 1.00 0.00 ATOM 480 CB TYR 85 0.141 5.782 9.774 1.00 0.00 ATOM 481 CG TYR 85 -0.057 5.580 11.259 1.00 0.00 ATOM 482 CD1 TYR 85 -0.048 6.661 12.131 1.00 0.00 ATOM 483 CD2 TYR 85 -0.253 4.309 11.783 1.00 0.00 ATOM 484 CE1 TYR 85 -0.227 6.485 13.490 1.00 0.00 ATOM 485 CE2 TYR 85 -0.435 4.116 13.140 1.00 0.00 ATOM 486 CZ TYR 85 -0.422 5.218 13.993 1.00 0.00 ATOM 487 OH TYR 85 -0.601 5.040 15.345 1.00 0.00 ATOM 488 O TYR 85 1.680 7.720 7.682 1.00 0.00 ATOM 489 C TYR 85 0.526 7.297 7.905 1.00 0.00 ATOM 490 N PHE 86 -0.301 6.927 6.940 1.00 0.00 ATOM 491 CA PHE 86 0.157 6.831 5.565 1.00 0.00 ATOM 492 CB PHE 86 0.383 5.369 5.177 1.00 0.00 ATOM 493 CG PHE 86 1.092 5.194 3.864 1.00 0.00 ATOM 494 CD1 PHE 86 2.451 5.436 3.757 1.00 0.00 ATOM 495 CD2 PHE 86 0.402 4.786 2.736 1.00 0.00 ATOM 496 CE1 PHE 86 3.103 5.274 2.550 1.00 0.00 ATOM 497 CE2 PHE 86 1.054 4.624 1.528 1.00 0.00 ATOM 498 CZ PHE 86 2.399 4.867 1.433 1.00 0.00 ATOM 499 O PHE 86 -1.597 6.732 3.932 1.00 0.00 ATOM 500 C PHE 86 -0.891 7.433 4.651 1.00 0.00 ATOM 501 N ASN 87 -1.000 8.760 4.654 1.00 0.00 ATOM 502 CA ASN 87 -2.011 9.377 3.799 1.00 0.00 ATOM 503 CB ASN 87 -2.008 10.897 3.976 1.00 0.00 ATOM 504 CG ASN 87 -2.571 11.328 5.315 1.00 0.00 ATOM 505 ND2 ASN 87 -1.733 11.952 6.136 1.00 0.00 ATOM 506 OD1 ASN 87 -3.746 11.105 5.607 1.00 0.00 ATOM 507 O ASN 87 -2.866 9.375 1.583 1.00 0.00 ATOM 508 C ASN 87 -1.896 9.169 2.300 1.00 0.00 ATOM 509 N ARG 88 -0.726 8.770 1.800 1.00 0.00 ATOM 510 CA ARG 88 -0.627 8.549 0.375 1.00 0.00 ATOM 511 CB ARG 88 0.827 8.676 -0.085 1.00 0.00 ATOM 512 CG ARG 88 1.384 10.087 -0.002 1.00 0.00 ATOM 513 CD ARG 88 2.845 10.130 -0.421 1.00 0.00 ATOM 514 NE ARG 88 3.406 11.475 -0.309 1.00 0.00 ATOM 515 CZ ARG 88 4.700 11.756 -0.421 1.00 0.00 ATOM 516 NH1 ARG 88 5.120 13.007 -0.305 1.00 0.00 ATOM 517 NH2 ARG 88 5.572 10.783 -0.648 1.00 0.00 ATOM 518 O ARG 88 -1.266 6.922 -1.217 1.00 0.00 ATOM 519 C ARG 88 -1.111 7.178 -0.034 1.00 0.00 ATOM 520 N ARG 89 -1.360 6.293 0.931 1.00 0.00 ATOM 521 CA ARG 89 -1.767 4.938 0.587 1.00 0.00 ATOM 522 CB ARG 89 -1.352 3.958 1.687 1.00 0.00 ATOM 523 CG ARG 89 -1.697 2.509 1.389 1.00 0.00 ATOM 524 CD ARG 89 -1.190 1.585 2.484 1.00 0.00 ATOM 525 NE ARG 89 -1.548 0.191 2.232 1.00 0.00 ATOM 526 CZ ARG 89 -1.419 -0.787 3.124 1.00 0.00 ATOM 527 NH1 ARG 89 -1.768 -2.025 2.806 1.00 0.00 ATOM 528 NH2 ARG 89 -0.939 -0.522 4.332 1.00 0.00 ATOM 529 O ARG 89 -4.053 4.896 1.355 1.00 0.00 ATOM 530 C ARG 89 -3.276 4.787 0.403 1.00 0.00 ATOM 531 N GLY 90 -3.684 4.525 -0.835 1.00 0.00 ATOM 532 CA GLY 90 -5.100 4.415 -1.115 1.00 0.00 ATOM 533 O GLY 90 -7.014 3.622 0.077 1.00 0.00 ATOM 534 C GLY 90 -5.862 3.392 -0.309 1.00 0.00 ATOM 535 N GLU 91 -5.230 2.260 -0.034 1.00 0.00 ATOM 536 CA GLU 91 -5.950 1.193 0.659 1.00 0.00 ATOM 537 CB GLU 91 -5.051 -0.034 0.833 1.00 0.00 ATOM 538 CG GLU 91 -4.760 -0.780 -0.457 1.00 0.00 ATOM 539 CD GLU 91 -3.795 -1.931 -0.262 1.00 0.00 ATOM 540 OE1 GLU 91 -3.296 -2.100 0.871 1.00 0.00 ATOM 541 OE2 GLU 91 -3.534 -2.662 -1.239 1.00 0.00 ATOM 542 O GLU 91 -7.439 1.046 2.518 1.00 0.00 ATOM 543 C GLU 91 -6.434 1.573 2.038 1.00 0.00 ATOM 544 N ALA 103 -5.737 2.502 2.694 1.00 0.00 ATOM 545 CA ALA 103 -6.168 2.935 3.999 1.00 0.00 ATOM 546 CB ALA 103 -5.169 3.921 4.585 1.00 0.00 ATOM 547 O ALA 103 -8.367 3.457 4.789 1.00 0.00 ATOM 548 C ALA 103 -7.522 3.616 3.909 1.00 0.00 ATOM 549 N VAL 104 -7.727 4.397 2.848 1.00 0.00 ATOM 550 CA VAL 104 -9.003 5.068 2.670 1.00 0.00 ATOM 551 CB VAL 104 -8.959 6.060 1.492 1.00 0.00 ATOM 552 CG1 VAL 104 -10.349 6.606 1.205 1.00 0.00 ATOM 553 CG2 VAL 104 -8.040 7.227 1.812 1.00 0.00 ATOM 554 O VAL 104 -11.210 4.158 2.783 1.00 0.00 ATOM 555 C VAL 104 -10.070 4.002 2.391 1.00 0.00 ATOM 556 N TYR 105 -9.708 2.938 1.681 1.00 0.00 ATOM 557 CA TYR 105 -10.689 1.873 1.445 1.00 0.00 ATOM 558 CB TYR 105 -10.102 0.795 0.532 1.00 0.00 ATOM 559 CG TYR 105 -11.042 -0.356 0.261 1.00 0.00 ATOM 560 CD1 TYR 105 -12.073 -0.231 -0.662 1.00 0.00 ATOM 561 CD2 TYR 105 -10.895 -1.567 0.927 1.00 0.00 ATOM 562 CE1 TYR 105 -12.937 -1.278 -0.916 1.00 0.00 ATOM 563 CE2 TYR 105 -11.749 -2.625 0.685 1.00 0.00 ATOM 564 CZ TYR 105 -12.776 -2.472 -0.246 1.00 0.00 ATOM 565 OH TYR 105 -13.635 -3.517 -0.498 1.00 0.00 ATOM 566 O TYR 105 -12.232 0.926 3.009 1.00 0.00 ATOM 567 C TYR 105 -11.071 1.245 2.783 1.00 0.00 ATOM 568 N SER 106 -10.102 1.054 3.681 1.00 0.00 ATOM 569 CA SER 106 -10.423 0.479 4.986 1.00 0.00 ATOM 570 CB SER 106 -9.157 0.329 5.832 1.00 0.00 ATOM 571 OG SER 106 -8.280 -0.633 5.271 1.00 0.00 ATOM 572 O SER 106 -12.383 0.929 6.278 1.00 0.00 ATOM 573 C SER 106 -11.395 1.383 5.718 1.00 0.00 ATOM 574 N ARG 107 -11.049 2.671 5.776 1.00 0.00 ATOM 575 CA ARG 107 -11.878 3.651 6.461 1.00 0.00 ATOM 576 CB ARG 107 -11.247 5.043 6.373 1.00 0.00 ATOM 577 CG ARG 107 -12.044 6.131 7.073 1.00 0.00 ATOM 578 CD ARG 107 -11.332 7.472 6.998 1.00 0.00 ATOM 579 NE ARG 107 -12.092 8.534 7.652 1.00 0.00 ATOM 580 CZ ARG 107 -11.699 9.802 7.720 1.00 0.00 ATOM 581 NH1 ARG 107 -12.457 10.699 8.334 1.00 0.00 ATOM 582 NH2 ARG 107 -10.549 10.169 7.171 1.00 0.00 ATOM 583 O ARG 107 -14.282 3.710 6.571 1.00 0.00 ATOM 584 C ARG 107 -13.274 3.733 5.849 1.00 0.00 ATOM 585 N ALA 108 -13.330 3.834 4.529 1.00 0.00 ATOM 586 CA ALA 108 -14.596 3.963 3.827 1.00 0.00 ATOM 587 CB ALA 108 -14.357 4.221 2.347 1.00 0.00 ATOM 588 O ALA 108 -16.655 2.826 4.056 1.00 0.00 ATOM 589 C ALA 108 -15.449 2.715 3.940 1.00 0.00 ATOM 590 N LEU 109 -14.830 1.541 3.919 1.00 0.00 ATOM 591 CA LEU 109 -15.638 0.325 4.026 1.00 0.00 ATOM 592 CB LEU 109 -14.759 -0.917 3.871 1.00 0.00 ATOM 593 CG LEU 109 -15.474 -2.267 3.944 1.00 0.00 ATOM 594 CD1 LEU 109 -16.501 -2.393 2.827 1.00 0.00 ATOM 595 CD2 LEU 109 -14.481 -3.411 3.808 1.00 0.00 ATOM 596 O LEU 109 -17.482 -0.093 5.507 1.00 0.00 ATOM 597 C LEU 109 -16.312 0.295 5.392 1.00 0.00 ATOM 598 N ALA 110 -15.568 0.696 6.419 1.00 0.00 ATOM 599 CA ALA 110 -16.103 0.718 7.781 1.00 0.00 ATOM 600 CB ALA 110 -15.022 1.127 8.770 1.00 0.00 ATOM 601 O ALA 110 -18.266 1.466 8.470 1.00 0.00 ATOM 602 C ALA 110 -17.252 1.724 7.844 1.00 0.00 ATOM 603 N LEU 111 -17.084 2.880 7.202 1.00 0.00 ATOM 604 CA LEU 111 -18.172 3.853 7.196 1.00 0.00 ATOM 605 CB LEU 111 -17.752 5.120 6.450 1.00 0.00 ATOM 606 CG LEU 111 -16.692 5.988 7.132 1.00 0.00 ATOM 607 CD1 LEU 111 -16.238 7.109 6.207 1.00 0.00 ATOM 608 CD2 LEU 111 -17.246 6.614 8.402 1.00 0.00 ATOM 609 O LEU 111 -20.544 3.581 6.939 1.00 0.00 ATOM 610 C LEU 111 -19.428 3.298 6.506 1.00 0.00 ATOM 611 N ASP 112 -19.255 2.531 5.433 1.00 0.00 ATOM 612 CA ASP 112 -20.405 1.942 4.735 1.00 0.00 ATOM 613 CB ASP 112 -19.943 1.171 3.497 1.00 0.00 ATOM 614 CG ASP 112 -21.100 0.599 2.700 1.00 0.00 ATOM 615 OD1 ASP 112 -21.934 1.393 2.215 1.00 0.00 ATOM 616 OD2 ASP 112 -21.172 -0.638 2.562 1.00 0.00 ATOM 617 O ASP 112 -22.365 1.011 5.779 1.00 0.00 ATOM 618 C ASP 112 -21.126 0.985 5.683 1.00 0.00 ATOM 619 N GLY 113 -20.371 0.130 6.359 1.00 0.00 ATOM 620 CA GLY 113 -20.976 -0.811 7.310 1.00 0.00 ATOM 621 O GLY 113 -22.752 -0.468 8.921 1.00 0.00 ATOM 622 C GLY 113 -21.711 -0.028 8.400 1.00 0.00 ATOM 623 N LEU 114 -21.156 1.130 8.760 1.00 0.00 ATOM 624 CA LEU 114 -21.752 1.988 9.789 1.00 0.00 ATOM 625 CB LEU 114 -20.713 2.966 10.340 1.00 0.00 ATOM 626 CG LEU 114 -19.514 2.347 11.062 1.00 0.00 ATOM 627 CD1 LEU 114 -18.513 3.420 11.460 1.00 0.00 ATOM 628 CD2 LEU 114 -19.963 1.623 12.322 1.00 0.00 ATOM 629 O LEU 114 -23.519 3.614 9.977 1.00 0.00 ATOM 630 C LEU 114 -22.921 2.818 9.253 1.00 0.00 ATOM 631 N GLY 115 -23.236 2.624 7.976 1.00 0.00 ATOM 632 CA GLY 115 -24.332 3.337 7.325 1.00 0.00 ATOM 633 O GLY 115 -25.043 5.629 7.463 1.00 0.00 ATOM 634 C GLY 115 -24.114 4.842 7.326 1.00 0.00 ATOM 635 N ARG 116 -22.852 5.220 7.169 1.00 0.00 ATOM 636 CA ARG 116 -22.432 6.616 7.101 1.00 0.00 ATOM 637 CB ARG 116 -21.355 6.903 8.151 1.00 0.00 ATOM 638 CG ARG 116 -21.826 6.729 9.586 1.00 0.00 ATOM 639 CD ARG 116 -20.677 6.894 10.567 1.00 0.00 ATOM 640 NE ARG 116 -21.113 6.732 11.953 1.00 0.00 ATOM 641 CZ ARG 116 -20.288 6.661 12.992 1.00 0.00 ATOM 642 NH1 ARG 116 -20.775 6.512 14.215 1.00 0.00 ATOM 643 NH2 ARG 116 -18.977 6.739 12.804 1.00 0.00 ATOM 644 O ARG 116 -20.694 6.966 5.456 1.00 0.00 ATOM 645 C ARG 116 -21.888 6.786 5.688 1.00 0.00 ATOM 646 N GLY 117 -22.806 6.711 4.735 1.00 0.00 ATOM 647 CA GLY 117 -22.480 6.780 3.330 1.00 0.00 ATOM 648 O GLY 117 -21.147 8.115 1.871 1.00 0.00 ATOM 649 C GLY 117 -21.961 8.103 2.795 1.00 0.00 ATOM 650 N ALA 118 -22.427 9.213 3.356 1.00 0.00 ATOM 651 CA ALA 118 -21.939 10.503 2.893 1.00 0.00 ATOM 652 CB ALA 118 -22.702 11.632 3.567 1.00 0.00 ATOM 653 O ALA 118 -19.663 11.084 2.431 1.00 0.00 ATOM 654 C ALA 118 -20.466 10.617 3.235 1.00 0.00 ATOM 655 N GLU 119 -20.118 10.170 4.433 1.00 0.00 ATOM 656 CA GLU 119 -18.722 10.194 4.864 1.00 0.00 ATOM 657 CB GLU 119 -18.614 9.858 6.353 1.00 0.00 ATOM 658 CG GLU 119 -19.157 10.939 7.273 1.00 0.00 ATOM 659 CD GLU 119 -19.147 10.522 8.730 1.00 0.00 ATOM 660 OE1 GLU 119 -18.784 9.360 9.014 1.00 0.00 ATOM 661 OE2 GLU 119 -19.504 11.355 9.590 1.00 0.00 ATOM 662 O GLU 119 -16.760 9.427 3.733 1.00 0.00 ATOM 663 C GLU 119 -17.913 9.174 4.076 1.00 0.00 ATOM 664 N ALA 120 -18.500 8.014 3.802 1.00 0.00 ATOM 665 CA ALA 120 -17.788 7.017 3.020 1.00 0.00 ATOM 666 CB ALA 120 -18.656 5.784 2.816 1.00 0.00 ATOM 667 O ALA 120 -16.304 7.474 1.166 1.00 0.00 ATOM 668 C ALA 120 -17.431 7.616 1.651 1.00 0.00 ATOM 669 N MET 121 -18.391 8.291 1.023 1.00 0.00 ATOM 670 CA MET 121 -18.137 8.875 -0.286 1.00 0.00 ATOM 671 CB MET 121 -19.389 9.581 -0.809 1.00 0.00 ATOM 672 CG MET 121 -19.222 10.202 -2.187 1.00 0.00 ATOM 673 SD MET 121 -20.714 11.036 -2.760 1.00 0.00 ATOM 674 CE MET 121 -20.704 12.497 -1.724 1.00 0.00 ATOM 675 O MET 121 -16.108 9.899 -1.056 1.00 0.00 ATOM 676 C MET 121 -16.999 9.902 -0.215 1.00 0.00 ATOM 677 N PRO 122 -17.024 10.757 0.804 1.00 0.00 ATOM 678 CA PRO 122 -15.978 11.771 0.940 1.00 0.00 ATOM 679 CB PRO 122 -16.446 12.628 2.118 1.00 0.00 ATOM 680 CG PRO 122 -17.918 12.393 2.190 1.00 0.00 ATOM 681 CD PRO 122 -18.136 10.972 1.752 1.00 0.00 ATOM 682 O PRO 122 -13.580 11.706 0.877 1.00 0.00 ATOM 683 C PRO 122 -14.621 11.135 1.220 1.00 0.00 ATOM 684 N GLU 123 -14.632 9.974 1.869 1.00 0.00 ATOM 685 CA GLU 123 -13.383 9.276 2.161 1.00 0.00 ATOM 686 CB GLU 123 -13.633 8.112 3.124 1.00 0.00 ATOM 687 CG GLU 123 -13.982 8.544 4.540 1.00 0.00 ATOM 688 CD GLU 123 -12.903 9.401 5.171 1.00 0.00 ATOM 689 OE1 GLU 123 -11.728 8.974 5.169 1.00 0.00 ATOM 690 OE2 GLU 123 -13.231 10.499 5.668 1.00 0.00 ATOM 691 O GLU 123 -11.588 8.803 0.658 1.00 0.00 ATOM 692 C GLU 123 -12.793 8.731 0.874 1.00 0.00 ATOM 693 N PHE 124 -13.628 8.187 -0.001 1.00 0.00 ATOM 694 CA PHE 124 -13.110 7.718 -1.272 1.00 0.00 ATOM 695 CB PHE 124 -14.222 7.067 -2.097 1.00 0.00 ATOM 696 CG PHE 124 -14.564 5.672 -1.659 1.00 0.00 ATOM 697 CD1 PHE 124 -15.683 5.429 -0.879 1.00 0.00 ATOM 698 CD2 PHE 124 -13.768 4.601 -2.026 1.00 0.00 ATOM 699 CE1 PHE 124 -15.997 4.145 -0.478 1.00 0.00 ATOM 700 CE2 PHE 124 -14.082 3.317 -1.623 1.00 0.00 ATOM 701 CZ PHE 124 -15.192 3.087 -0.852 1.00 0.00 ATOM 702 O PHE 124 -11.514 8.810 -2.683 1.00 0.00 ATOM 703 C PHE 124 -12.544 8.918 -2.032 1.00 0.00 ATOM 704 N LYS 125 -13.244 10.051 -1.965 1.00 0.00 ATOM 705 CA LYS 125 -12.794 11.245 -2.667 1.00 0.00 ATOM 706 CB LYS 125 -13.831 12.363 -2.544 1.00 0.00 ATOM 707 CG LYS 125 -15.110 12.113 -3.325 1.00 0.00 ATOM 708 CD LYS 125 -16.092 13.261 -3.161 1.00 0.00 ATOM 709 CE LYS 125 -17.384 12.996 -3.916 1.00 0.00 ATOM 710 NZ LYS 125 -18.366 14.104 -3.745 1.00 0.00 ATOM 711 O LYS 125 -10.619 12.213 -2.830 1.00 0.00 ATOM 712 C LYS 125 -11.486 11.744 -2.091 1.00 0.00 ATOM 713 N LYS 126 -11.350 11.658 -0.776 1.00 0.00 ATOM 714 CA LYS 126 -10.126 12.125 -0.123 1.00 0.00 ATOM 715 CB LYS 126 -10.274 12.064 1.399 1.00 0.00 ATOM 716 CG LYS 126 -11.238 13.091 1.970 1.00 0.00 ATOM 717 CD LYS 126 -11.333 12.976 3.484 1.00 0.00 ATOM 718 CE LYS 126 -12.323 13.980 4.052 1.00 0.00 ATOM 719 NZ LYS 126 -12.443 13.864 5.532 1.00 0.00 ATOM 720 O LYS 126 -7.860 11.709 -0.833 1.00 0.00 ATOM 721 C LYS 126 -8.962 11.227 -0.555 1.00 0.00 ATOM 722 N VAL 127 -9.214 9.922 -0.641 1.00 0.00 ATOM 723 CA VAL 127 -8.166 9.003 -1.048 1.00 0.00 ATOM 724 CB VAL 127 -8.649 7.540 -1.002 1.00 0.00 ATOM 725 CG1 VAL 127 -7.609 6.618 -1.618 1.00 0.00 ATOM 726 CG2 VAL 127 -8.891 7.104 0.434 1.00 0.00 ATOM 727 O VAL 127 -6.493 9.168 -2.792 1.00 0.00 ATOM 728 C VAL 127 -7.689 9.272 -2.466 1.00 0.00 ATOM 729 N VAL 128 -8.636 9.653 -3.311 1.00 0.00 ATOM 730 CA VAL 128 -8.325 9.925 -4.700 1.00 0.00 ATOM 731 CB VAL 128 -9.603 10.131 -5.534 1.00 0.00 ATOM 732 CG1 VAL 128 -9.251 10.578 -6.945 1.00 0.00 ATOM 733 CG2 VAL 128 -10.395 8.836 -5.623 1.00 0.00 ATOM 734 O VAL 128 -6.893 11.375 -5.939 1.00 0.00 ATOM 735 C VAL 128 -7.478 11.181 -4.874 1.00 0.00 ATOM 736 N GLU 129 -7.421 12.028 -3.842 1.00 0.00 ATOM 737 CA GLU 129 -6.590 13.244 -3.873 1.00 0.00 ATOM 738 CB GLU 129 -7.016 14.213 -2.769 1.00 0.00 ATOM 739 CG GLU 129 -8.404 14.802 -2.962 1.00 0.00 ATOM 740 CD GLU 129 -8.819 15.702 -1.813 1.00 0.00 ATOM 741 OE1 GLU 129 -8.032 15.844 -0.856 1.00 0.00 ATOM 742 OE2 GLU 129 -9.933 16.265 -1.874 1.00 0.00 ATOM 743 O GLU 129 -4.194 13.560 -3.878 1.00 0.00 ATOM 744 C GLU 129 -5.139 12.791 -3.656 1.00 0.00 ATOM 745 N MET 130 -4.963 11.544 -3.232 1.00 0.00 ATOM 746 CA MET 130 -3.621 11.005 -3.003 1.00 0.00 ATOM 747 CB MET 130 -3.529 10.369 -1.614 1.00 0.00 ATOM 748 CG MET 130 -3.660 11.358 -0.468 1.00 0.00 ATOM 749 SD MET 130 -2.272 12.505 -0.378 1.00 0.00 ATOM 750 CE MET 130 -2.967 13.943 -1.190 1.00 0.00 ATOM 751 O MET 130 -2.042 9.871 -4.414 1.00 0.00 ATOM 752 C MET 130 -3.215 9.934 -4.004 1.00 0.00 ATOM 753 N ILE 131 -4.167 9.086 -4.390 1.00 0.00 ATOM 754 CA ILE 131 -3.911 8.009 -5.359 1.00 0.00 ATOM 755 CB ILE 131 -3.843 6.634 -4.669 1.00 0.00 ATOM 756 CG1 ILE 131 -2.816 6.655 -3.535 1.00 0.00 ATOM 757 CG2 ILE 131 -3.440 5.558 -5.665 1.00 0.00 ATOM 758 CD1 ILE 131 -1.395 6.873 -4.004 1.00 0.00 ATOM 759 O ILE 131 -5.963 7.200 -6.306 1.00 0.00 ATOM 760 C ILE 131 -5.064 8.035 -6.358 1.00 0.00 ATOM 761 N GLU 132 -5.002 8.996 -7.274 1.00 0.00 ATOM 762 CA GLU 132 -6.048 9.231 -8.269 1.00 0.00 ATOM 763 CB GLU 132 -5.616 10.319 -9.253 1.00 0.00 ATOM 764 CG GLU 132 -6.702 10.740 -10.230 1.00 0.00 ATOM 765 CD GLU 132 -6.268 11.885 -11.126 1.00 0.00 ATOM 766 OE1 GLU 132 -5.107 12.327 -11.003 1.00 0.00 ATOM 767 OE2 GLU 132 -7.091 12.339 -11.948 1.00 0.00 ATOM 768 O GLU 132 -7.646 8.013 -9.586 1.00 0.00 ATOM 769 C GLU 132 -6.485 8.078 -9.164 1.00 0.00 ATOM 770 N GLU 133 -5.582 7.160 -9.460 1.00 0.00 ATOM 771 CA GLU 133 -5.950 6.062 -10.335 1.00 0.00 ATOM 772 CB GLU 133 -4.824 5.768 -11.328 1.00 0.00 ATOM 773 CG GLU 133 -4.567 6.889 -12.323 1.00 0.00 ATOM 774 CD GLU 133 -3.424 6.577 -13.270 1.00 0.00 ATOM 775 OE1 GLU 133 -2.885 5.453 -13.200 1.00 0.00 ATOM 776 OE2 GLU 133 -3.068 7.457 -14.083 1.00 0.00 ATOM 777 O GLU 133 -6.311 3.704 -10.222 1.00 0.00 ATOM 778 C GLU 133 -6.234 4.762 -9.604 1.00 0.00 ATOM 779 N ARG 134 -6.407 4.832 -8.288 1.00 0.00 ATOM 780 CA ARG 134 -6.679 3.621 -7.516 1.00 0.00 ATOM 781 CB ARG 134 -6.667 3.927 -6.017 1.00 0.00 ATOM 782 CG ARG 134 -6.965 2.725 -5.136 1.00 0.00 ATOM 783 CD ARG 134 -5.858 1.688 -5.224 1.00 0.00 ATOM 784 NE ARG 134 -4.586 2.200 -4.722 1.00 0.00 ATOM 785 CZ ARG 134 -3.435 1.541 -4.791 1.00 0.00 ATOM 786 NH1 ARG 134 -2.328 2.087 -4.309 1.00 0.00 ATOM 787 NH2 ARG 134 -3.394 0.335 -5.342 1.00 0.00 ATOM 788 O ARG 134 -9.078 3.678 -7.622 1.00 0.00 ATOM 789 C ARG 134 -8.050 3.053 -7.883 1.00 0.00 ATOM 790 N LYS 135 -8.076 1.857 -8.497 1.00 0.00 ATOM 791 CA LYS 135 -9.329 1.206 -8.903 1.00 0.00 ATOM 792 CB LYS 135 -9.043 -0.157 -9.536 1.00 0.00 ATOM 793 CG LYS 135 -8.381 -0.080 -10.902 1.00 0.00 ATOM 794 CD LYS 135 -8.129 -1.467 -11.472 1.00 0.00 ATOM 795 CE LYS 135 -7.445 -1.389 -12.828 1.00 0.00 ATOM 796 NZ LYS 135 -7.161 -2.742 -13.383 1.00 0.00 ATOM 797 O LYS 135 -11.550 1.086 -7.992 1.00 0.00 ATOM 798 C LYS 135 -10.341 0.932 -7.785 1.00 0.00 ATOM 799 N GLY 136 -9.873 0.547 -6.599 1.00 0.00 ATOM 800 CA GLY 136 -10.800 0.278 -5.499 1.00 0.00 ATOM 801 O GLY 136 -12.662 1.517 -4.673 1.00 0.00 ATOM 802 C GLY 136 -11.486 1.545 -5.008 1.00 0.00 ATOM 803 N GLU 137 -10.751 2.659 -4.960 1.00 0.00 ATOM 804 CA GLU 137 -11.332 3.923 -4.529 1.00 0.00 ATOM 805 CB GLU 137 -10.240 4.974 -4.325 1.00 0.00 ATOM 806 CG GLU 137 -9.350 4.718 -3.119 1.00 0.00 ATOM 807 CD GLU 137 -10.131 4.654 -1.821 1.00 0.00 ATOM 808 OE1 GLU 137 -10.904 5.596 -1.546 1.00 0.00 ATOM 809 OE2 GLU 137 -9.971 3.661 -1.081 1.00 0.00 ATOM 810 O GLU 137 -13.367 4.942 -5.261 1.00 0.00 ATOM 811 C GLU 137 -12.306 4.421 -5.590 1.00 0.00 ATOM 812 N THR 138 -11.938 4.264 -6.860 1.00 0.00 ATOM 813 CA THR 138 -12.812 4.678 -7.959 1.00 0.00 ATOM 814 CB THR 138 -12.157 4.428 -9.329 1.00 0.00 ATOM 815 CG2 THR 138 -13.099 4.829 -10.453 1.00 0.00 ATOM 816 OG1 THR 138 -10.954 5.200 -9.434 1.00 0.00 ATOM 817 O THR 138 -15.200 4.448 -8.061 1.00 0.00 ATOM 818 C THR 138 -14.119 3.887 -7.898 1.00 0.00 ATOM 819 N PRO 139 -14.015 2.589 -7.645 1.00 0.00 ATOM 820 CA PRO 139 -15.195 1.740 -7.550 1.00 0.00 ATOM 821 CB PRO 139 -14.623 0.333 -7.364 1.00 0.00 ATOM 822 CG PRO 139 -13.290 0.380 -8.032 1.00 0.00 ATOM 823 CD PRO 139 -12.721 1.739 -7.733 1.00 0.00 ATOM 824 O PRO 139 -17.270 2.304 -6.459 1.00 0.00 ATOM 825 C PRO 139 -16.047 2.176 -6.357 1.00 0.00 ATOM 826 N GLY 140 -15.397 2.426 -5.222 1.00 0.00 ATOM 827 CA GLY 140 -16.127 2.854 -4.047 1.00 0.00 ATOM 828 O GLY 140 -18.043 4.296 -3.886 1.00 0.00 ATOM 829 C GLY 140 -16.883 4.151 -4.281 1.00 0.00 ATOM 830 N LYS 141 -16.217 5.105 -4.922 1.00 0.00 ATOM 831 CA LYS 141 -16.832 6.382 -5.215 1.00 0.00 ATOM 832 CB LYS 141 -15.836 7.309 -5.913 1.00 0.00 ATOM 833 CG LYS 141 -16.385 8.694 -6.219 1.00 0.00 ATOM 834 CD LYS 141 -15.321 9.585 -6.840 1.00 0.00 ATOM 835 CE LYS 141 -15.877 10.959 -7.173 1.00 0.00 ATOM 836 NZ LYS 141 -14.849 11.838 -7.796 1.00 0.00 ATOM 837 O LYS 141 -19.103 6.725 -5.913 1.00 0.00 ATOM 838 C LYS 141 -18.035 6.156 -6.130 1.00 0.00 ATOM 839 N GLU 142 -17.848 5.316 -7.144 1.00 0.00 ATOM 840 CA GLU 142 -18.923 5.018 -8.096 1.00 0.00 ATOM 841 CB GLU 142 -18.445 4.013 -9.146 1.00 0.00 ATOM 842 CG GLU 142 -17.437 4.581 -10.132 1.00 0.00 ATOM 843 CD GLU 142 -16.894 3.529 -11.080 1.00 0.00 ATOM 844 OE1 GLU 142 -17.250 2.343 -10.918 1.00 0.00 ATOM 845 OE2 GLU 142 -16.113 3.890 -11.985 1.00 0.00 ATOM 846 O GLU 142 -21.275 4.778 -7.638 1.00 0.00 ATOM 847 C GLU 142 -20.121 4.423 -7.363 1.00 0.00 ATOM 848 N ARG 143 -19.851 3.521 -6.422 1.00 0.00 ATOM 849 CA ARG 143 -20.934 2.901 -5.662 1.00 0.00 ATOM 850 CB ARG 143 -20.379 1.837 -4.712 1.00 0.00 ATOM 851 CG ARG 143 -19.872 0.585 -5.409 1.00 0.00 ATOM 852 CD ARG 143 -19.272 -0.396 -4.416 1.00 0.00 ATOM 853 NE ARG 143 -18.754 -1.593 -5.074 1.00 0.00 ATOM 854 CZ ARG 143 -18.113 -2.573 -4.446 1.00 0.00 ATOM 855 NH1 ARG 143 -17.678 -3.624 -5.127 1.00 0.00 ATOM 856 NH2 ARG 143 -17.910 -2.500 -3.136 1.00 0.00 ATOM 857 O ARG 143 -22.910 3.941 -4.798 1.00 0.00 ATOM 858 C ARG 143 -21.683 3.936 -4.829 1.00 0.00 ATOM 859 N MET 144 -20.951 4.822 -4.158 1.00 0.00 ATOM 860 CA MET 144 -21.592 5.819 -3.327 1.00 0.00 ATOM 861 CB MET 144 -20.551 6.582 -2.504 1.00 0.00 ATOM 862 CG MET 144 -19.777 5.715 -1.525 1.00 0.00 ATOM 863 SD MET 144 -20.828 5.002 -0.245 1.00 0.00 ATOM 864 CE MET 144 -19.680 3.882 0.550 1.00 0.00 ATOM 865 O MET 144 -23.372 7.380 -3.697 1.00 0.00 ATOM 866 C MET 144 -22.365 6.838 -4.155 1.00 0.00 TER END