PFRMAT TS TARGET T0348 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 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 T0348, we mostly just ran optimizations from the set of possible METHOD alignments to templates, with different variations on the cost function. METHOD We did also try doing a couple of optimizations without the HIS tag, METHOD but when we stuck the HIS tag back on and reoptimized, we got models METHOD almost identical to models built with the HIS tag in the first place. METHOD METHOD METHOD Model 1 is try20-opt2, the best-scoring with several of the cost METHOD functions we tried. METHOD METHOD Model 2 is try11-opt2.gromacs0.repack-nonPC, the rather similar model METHOD that scored best with rosetta's cost function, after rosetta METHOD repacked sidechains. METHOD METHOD Model 3 is try19-opt1, a somewhat different model that is still high scoring. METHOD METHOD Model 4 is try21-opt2, the model optimized without the HIS tag (just METHOD M1-K60), then reoptimized with the HIS tag added. It comes METHOD out surprisingly close to the automatic try1-opt2 model, but METHOD both undertaker and rosetta like it better. METHOD METHOD Model 5 is try3-opt2, a rather different model that does not score all METHOD that well but gives us some diversity in our set of submissions. REMARK 6 REMARK 6 T0348 model 4 Sun Jul 16 00:03:57 2006 MODEL 4 PARENT 2ct7_A 1pft 1vk6_A 1g8k_B 1s72_Z REMARK 7 REMARK 7 ALLPARENTS 2ct7_A 1pft 1vk6_A 1g8k_B 1s72_Z 1vqo_Z 1dl6_A REMARK 7 ALLPARENTS 1rly_A 1vck_A 1jj2_Y ATOM 1 N MET 1 34.901 26.493 27.389 1.00 0.00 ATOM 2 CA MET 1 34.892 27.524 26.351 1.00 0.00 ATOM 3 CB MET 1 35.624 27.021 25.114 1.00 0.00 ATOM 4 CG MET 1 35.782 28.057 24.014 1.00 0.00 ATOM 5 SD MET 1 37.099 27.616 22.849 1.00 0.00 ATOM 6 CE MET 1 36.313 26.360 21.938 1.00 0.00 ATOM 7 O MET 1 32.670 26.749 25.833 1.00 0.00 ATOM 8 C MET 1 33.467 27.691 25.802 1.00 0.00 ATOM 9 N ASP 2 33.168 28.898 25.302 1.00 0.00 ATOM 10 CA ASP 2 31.844 29.228 24.793 1.00 0.00 ATOM 11 CB ASP 2 31.987 30.524 23.829 1.00 0.00 ATOM 12 CG ASP 2 30.771 31.425 23.629 1.00 0.00 ATOM 13 OD1 ASP 2 30.903 32.422 22.887 1.00 0.00 ATOM 14 OD2 ASP 2 29.702 31.129 24.199 1.00 0.00 ATOM 15 O ASP 2 30.256 28.266 23.271 1.00 0.00 ATOM 16 C ASP 2 31.440 28.391 23.581 1.00 0.00 ATOM 17 N ALA 3 32.515 27.869 22.866 1.00 0.00 ATOM 18 CA ALA 3 32.261 27.138 21.627 1.00 0.00 ATOM 19 CB ALA 3 33.543 27.072 20.812 1.00 0.00 ATOM 20 O ALA 3 31.102 25.118 21.021 1.00 0.00 ATOM 21 C ALA 3 31.743 25.720 21.883 1.00 0.00 ATOM 22 N LYS 4 32.038 25.172 23.053 1.00 0.00 ATOM 23 CA LYS 4 31.596 23.824 23.366 1.00 0.00 ATOM 24 CB LYS 4 32.106 23.420 24.752 1.00 0.00 ATOM 25 CG LYS 4 31.760 21.994 25.146 1.00 0.00 ATOM 26 CD LYS 4 32.374 21.630 26.489 1.00 0.00 ATOM 27 CE LYS 4 32.009 20.209 26.896 1.00 0.00 ATOM 28 NZ LYS 4 32.586 19.847 28.220 1.00 0.00 ATOM 29 O LYS 4 29.538 22.754 22.809 1.00 0.00 ATOM 30 C LYS 4 30.084 23.718 23.344 1.00 0.00 ATOM 31 N PHE 5 29.384 24.741 23.855 1.00 0.00 ATOM 32 CA PHE 5 27.948 24.828 23.725 1.00 0.00 ATOM 33 CB PHE 5 27.408 26.080 24.418 1.00 0.00 ATOM 34 CG PHE 5 25.912 26.201 24.376 1.00 0.00 ATOM 35 CD1 PHE 5 25.118 25.473 25.243 1.00 0.00 ATOM 36 CD2 PHE 5 25.297 27.045 23.466 1.00 0.00 ATOM 37 CE1 PHE 5 23.742 25.584 25.204 1.00 0.00 ATOM 38 CE2 PHE 5 23.920 27.157 23.425 1.00 0.00 ATOM 39 CZ PHE 5 23.143 26.429 24.290 1.00 0.00 ATOM 40 O PHE 5 26.517 24.223 21.911 1.00 0.00 ATOM 41 C PHE 5 27.486 24.859 22.276 1.00 0.00 ATOM 42 N LEU 6 28.161 25.673 21.485 1.00 0.00 ATOM 43 CA LEU 6 27.783 25.744 20.082 1.00 0.00 ATOM 44 CB LEU 6 28.680 26.732 19.334 1.00 0.00 ATOM 45 CG LEU 6 28.498 28.210 19.681 1.00 0.00 ATOM 46 CD1 LEU 6 29.567 29.058 19.005 1.00 0.00 ATOM 47 CD2 LEU 6 27.137 28.705 19.215 1.00 0.00 ATOM 48 O LEU 6 27.110 24.016 18.569 1.00 0.00 ATOM 49 C LEU 6 27.931 24.393 19.413 1.00 0.00 ATOM 50 N GLU 7 28.974 23.668 19.794 1.00 0.00 ATOM 51 CA GLU 7 29.207 22.351 19.209 1.00 0.00 ATOM 52 CB GLU 7 30.465 21.701 19.787 1.00 0.00 ATOM 53 CG GLU 7 31.760 22.384 19.376 1.00 0.00 ATOM 54 CD GLU 7 32.975 21.792 20.064 1.00 0.00 ATOM 55 OE1 GLU 7 32.797 20.898 20.917 1.00 0.00 ATOM 56 OE2 GLU 7 34.103 22.222 19.748 1.00 0.00 ATOM 57 O GLU 7 27.579 20.705 18.592 1.00 0.00 ATOM 58 C GLU 7 28.028 21.425 19.481 1.00 0.00 ATOM 59 N ILE 8 27.536 21.434 20.719 1.00 0.00 ATOM 60 CA ILE 8 26.410 20.580 21.066 1.00 0.00 ATOM 61 CB ILE 8 26.187 20.610 22.616 1.00 0.00 ATOM 62 CG1 ILE 8 27.352 19.915 23.322 1.00 0.00 ATOM 63 CG2 ILE 8 24.855 19.949 22.975 1.00 0.00 ATOM 64 CD1 ILE 8 27.347 20.089 24.821 1.00 0.00 ATOM 65 O ILE 8 24.356 20.212 19.849 1.00 0.00 ATOM 66 C ILE 8 25.140 21.022 20.337 1.00 0.00 ATOM 67 N LEU 9 24.911 22.315 20.259 1.00 0.00 ATOM 68 CA LEU 9 23.719 22.821 19.559 1.00 0.00 ATOM 69 CB LEU 9 23.651 24.346 19.633 1.00 0.00 ATOM 70 CG LEU 9 22.438 25.004 18.970 1.00 0.00 ATOM 71 CD1 LEU 9 21.148 24.539 19.627 1.00 0.00 ATOM 72 CD2 LEU 9 22.514 26.517 19.090 1.00 0.00 ATOM 73 O LEU 9 22.730 21.931 17.563 1.00 0.00 ATOM 74 C LEU 9 23.738 22.384 18.090 1.00 0.00 ATOM 75 N VAL 10 24.895 22.491 17.454 1.00 0.00 ATOM 76 CA VAL 10 25.000 22.097 16.056 1.00 0.00 ATOM 77 CB VAL 10 26.248 22.711 15.395 1.00 0.00 ATOM 78 CG1 VAL 10 26.380 22.233 13.958 1.00 0.00 ATOM 79 CG2 VAL 10 26.153 24.231 15.389 1.00 0.00 ATOM 80 O VAL 10 25.948 19.963 16.580 1.00 0.00 ATOM 81 C VAL 10 25.097 20.570 15.954 1.00 0.00 ATOM 82 N CYS 11 24.184 19.975 15.184 1.00 0.00 ATOM 83 CA CYS 11 24.157 18.517 15.069 1.00 0.00 ATOM 84 CB CYS 11 22.959 18.080 14.268 1.00 0.00 ATOM 85 SG CYS 11 22.789 16.285 14.184 1.00 0.00 ATOM 86 O CYS 11 25.676 18.532 13.220 1.00 0.00 ATOM 87 C CYS 11 25.385 18.049 14.309 1.00 0.00 ATOM 88 N PRO 12 26.080 17.047 14.811 1.00 0.00 ATOM 89 CA PRO 12 27.255 16.543 14.173 1.00 0.00 ATOM 90 CB PRO 12 27.848 15.490 15.109 1.00 0.00 ATOM 91 CG PRO 12 27.336 15.889 16.475 1.00 0.00 ATOM 92 CD PRO 12 26.060 16.685 16.265 1.00 0.00 ATOM 93 O PRO 12 27.806 16.481 11.893 1.00 0.00 ATOM 94 C PRO 12 27.071 16.050 12.784 1.00 0.00 ATOM 95 N LEU 13 26.096 15.126 12.618 1.00 0.00 ATOM 96 CA LEU 13 25.790 14.519 11.333 1.00 0.00 ATOM 97 CB LEU 13 24.746 13.426 11.464 1.00 0.00 ATOM 98 CG LEU 13 25.280 12.109 12.034 1.00 0.00 ATOM 99 CD1 LEU 13 24.118 11.183 12.361 1.00 0.00 ATOM 100 CD2 LEU 13 26.221 11.455 11.029 1.00 0.00 ATOM 101 O LEU 13 25.629 15.556 9.168 1.00 0.00 ATOM 102 C LEU 13 25.228 15.533 10.331 1.00 0.00 ATOM 103 N CYS 14 24.294 16.382 10.801 1.00 0.00 ATOM 104 CA CYS 14 23.672 17.396 9.934 1.00 0.00 ATOM 105 CB CYS 14 22.491 18.029 10.689 1.00 0.00 ATOM 106 SG CYS 14 21.112 16.899 10.983 1.00 0.00 ATOM 107 O CYS 14 24.607 18.838 8.302 1.00 0.00 ATOM 108 C CYS 14 24.713 18.370 9.449 1.00 0.00 ATOM 109 N LYS 15 25.638 18.897 10.683 1.00 0.00 ATOM 110 CA LYS 15 25.764 20.300 10.998 1.00 0.00 ATOM 111 CB LYS 15 26.632 21.007 9.957 1.00 0.00 ATOM 112 CG LYS 15 28.076 20.534 9.926 1.00 0.00 ATOM 113 CD LYS 15 28.887 21.302 8.895 1.00 0.00 ATOM 114 CE LYS 15 30.324 20.810 8.847 1.00 0.00 ATOM 115 NZ LYS 15 31.156 21.616 7.912 1.00 0.00 ATOM 116 O LYS 15 24.704 22.345 11.420 1.00 0.00 ATOM 117 C LYS 15 24.545 21.180 11.136 1.00 0.00 ATOM 118 N GLY 16 23.371 20.633 10.864 1.00 0.00 ATOM 119 CA GLY 16 22.187 21.514 11.012 1.00 0.00 ATOM 120 O GLY 16 22.441 21.298 13.391 1.00 0.00 ATOM 121 C GLY 16 22.068 22.026 12.446 1.00 0.00 ATOM 122 N PRO 17 21.562 23.290 12.731 1.00 0.00 ATOM 123 CA PRO 17 21.457 23.647 14.163 1.00 0.00 ATOM 124 CB PRO 17 21.323 25.172 14.118 1.00 0.00 ATOM 125 CG PRO 17 22.072 25.534 12.873 1.00 0.00 ATOM 126 CD PRO 17 21.611 24.477 11.897 1.00 0.00 ATOM 127 O PRO 17 19.154 22.966 14.279 1.00 0.00 ATOM 128 C PRO 17 20.275 22.914 14.790 1.00 0.00 ATOM 129 N LEU 18 20.526 22.245 15.898 1.00 0.00 ATOM 130 CA LEU 18 19.504 21.489 16.604 1.00 0.00 ATOM 131 CB LEU 18 20.156 20.399 17.455 1.00 0.00 ATOM 132 CG LEU 18 21.066 19.416 16.717 1.00 0.00 ATOM 133 CD1 LEU 18 21.707 18.439 17.693 1.00 0.00 ATOM 134 CD2 LEU 18 20.275 18.614 15.695 1.00 0.00 ATOM 135 O LEU 18 19.160 23.561 17.802 1.00 0.00 ATOM 136 C LEU 18 18.693 22.441 17.495 1.00 0.00 ATOM 137 N VAL 19 17.486 22.014 17.855 1.00 0.00 ATOM 138 CA VAL 19 16.635 22.832 18.719 1.00 0.00 ATOM 139 CB VAL 19 15.357 23.244 17.967 1.00 0.00 ATOM 140 CG1 VAL 19 15.723 23.920 16.665 1.00 0.00 ATOM 141 CG2 VAL 19 14.496 22.028 17.685 1.00 0.00 ATOM 142 O VAL 19 16.198 20.843 20.000 1.00 0.00 ATOM 143 C VAL 19 16.377 22.065 20.001 1.00 0.00 ATOM 144 N PHE 20 16.325 22.778 21.116 1.00 0.00 ATOM 145 CA PHE 20 16.082 22.138 22.406 1.00 0.00 ATOM 146 CB PHE 20 16.575 23.037 23.542 1.00 0.00 ATOM 147 CG PHE 20 16.422 22.428 24.906 1.00 0.00 ATOM 148 CD1 PHE 20 17.290 21.442 25.341 1.00 0.00 ATOM 149 CD2 PHE 20 15.412 22.844 25.755 1.00 0.00 ATOM 150 CE1 PHE 20 17.148 20.883 26.597 1.00 0.00 ATOM 151 CE2 PHE 20 15.271 22.285 27.012 1.00 0.00 ATOM 152 CZ PHE 20 16.134 21.308 27.434 1.00 0.00 ATOM 153 O PHE 20 13.775 22.828 22.464 1.00 0.00 ATOM 154 C PHE 20 14.596 21.887 22.619 1.00 0.00 ATOM 155 N ASP 21 14.248 20.651 22.912 1.00 0.00 ATOM 156 CA ASP 21 12.849 20.291 23.210 1.00 0.00 ATOM 157 CB ASP 21 12.506 18.949 22.560 1.00 0.00 ATOM 158 CG ASP 21 11.062 18.546 22.780 1.00 0.00 ATOM 159 OD1 ASP 21 10.348 19.268 23.507 1.00 0.00 ATOM 160 OD2 ASP 21 10.645 17.508 22.226 1.00 0.00 ATOM 161 O ASP 21 13.335 19.345 25.327 1.00 0.00 ATOM 162 C ASP 21 12.749 20.222 24.716 1.00 0.00 ATOM 163 N LYS 22 12.021 21.168 25.298 1.00 0.00 ATOM 164 CA LYS 22 11.858 21.217 26.781 1.00 0.00 ATOM 165 CB LYS 22 11.073 22.465 27.193 1.00 0.00 ATOM 166 CG LYS 22 11.848 23.764 27.037 1.00 0.00 ATOM 167 CD LYS 22 11.010 24.960 27.457 1.00 0.00 ATOM 168 CE LYS 22 11.781 26.260 27.296 1.00 0.00 ATOM 169 NZ LYS 22 10.962 27.444 27.674 1.00 0.00 ATOM 170 O LYS 22 11.482 19.588 28.465 1.00 0.00 ATOM 171 C LYS 22 11.157 20.037 27.365 1.00 0.00 ATOM 172 N SER 23 10.149 19.503 26.634 1.00 0.00 ATOM 173 CA SER 23 9.393 18.358 27.099 1.00 0.00 ATOM 174 CB SER 23 8.197 18.053 26.185 1.00 0.00 ATOM 175 OG SER 23 7.591 16.821 26.541 1.00 0.00 ATOM 176 O SER 23 10.218 16.482 28.353 1.00 0.00 ATOM 177 C SER 23 10.273 17.132 27.305 1.00 0.00 ATOM 178 N LYS 24 11.096 16.826 26.376 1.00 0.00 ATOM 179 CA LYS 24 11.976 15.667 26.432 1.00 0.00 ATOM 180 CB LYS 24 12.070 15.029 25.046 1.00 0.00 ATOM 181 CG LYS 24 10.738 14.560 24.486 1.00 0.00 ATOM 182 CD LYS 24 10.911 13.905 23.124 1.00 0.00 ATOM 183 CE LYS 24 9.575 13.459 22.552 1.00 0.00 ATOM 184 NZ LYS 24 9.725 12.849 21.201 1.00 0.00 ATOM 185 O LYS 24 14.190 14.992 27.052 1.00 0.00 ATOM 186 C LYS 24 13.409 15.928 26.880 1.00 0.00 ATOM 187 N ASP 25 13.840 17.190 27.061 1.00 0.00 ATOM 188 CA ASP 25 15.196 17.567 27.456 1.00 0.00 ATOM 189 CB ASP 25 15.462 17.064 28.876 1.00 0.00 ATOM 190 CG ASP 25 14.584 17.741 29.908 1.00 0.00 ATOM 191 OD1 ASP 25 14.534 18.990 29.921 1.00 0.00 ATOM 192 OD2 ASP 25 13.945 17.024 30.708 1.00 0.00 ATOM 193 O ASP 25 17.039 16.176 26.775 1.00 0.00 ATOM 194 C ASP 25 16.124 16.923 26.426 1.00 0.00 ATOM 195 N GLU 26 15.922 17.245 25.215 1.00 0.00 ATOM 196 CA GLU 26 16.731 16.683 24.139 1.00 0.00 ATOM 197 CB GLU 26 16.059 15.508 23.426 1.00 0.00 ATOM 198 CG GLU 26 15.854 14.285 24.305 1.00 0.00 ATOM 199 CD GLU 26 15.207 13.133 23.558 1.00 0.00 ATOM 200 OE1 GLU 26 14.961 13.277 22.342 1.00 0.00 ATOM 201 OE2 GLU 26 14.946 12.088 24.190 1.00 0.00 ATOM 202 O GLU 26 16.372 18.886 23.170 1.00 0.00 ATOM 203 C GLU 26 16.982 17.788 23.143 1.00 0.00 ATOM 204 N LEU 27 17.941 17.547 22.230 1.00 0.00 ATOM 205 CA LEU 27 18.216 18.502 21.149 1.00 0.00 ATOM 206 CB LEU 27 19.679 18.934 21.168 1.00 0.00 ATOM 207 CG LEU 27 20.080 19.859 22.320 1.00 0.00 ATOM 208 CD1 LEU 27 21.588 19.997 22.393 1.00 0.00 ATOM 209 CD2 LEU 27 19.474 21.242 22.100 1.00 0.00 ATOM 210 O LEU 27 18.531 16.666 19.624 1.00 0.00 ATOM 211 C LEU 27 17.943 17.752 19.860 1.00 0.00 ATOM 212 N ILE 28 17.052 18.297 19.044 1.00 0.00 ATOM 213 CA ILE 28 16.579 17.649 17.803 1.00 0.00 ATOM 214 CB ILE 28 15.067 17.825 17.638 1.00 0.00 ATOM 215 CG1 ILE 28 14.398 17.288 18.906 1.00 0.00 ATOM 216 CG2 ILE 28 14.597 16.918 16.516 1.00 0.00 ATOM 217 CD1 ILE 28 14.855 15.853 19.221 1.00 0.00 ATOM 218 O ILE 28 17.214 19.554 16.480 1.00 0.00 ATOM 219 C ILE 28 17.122 18.325 16.553 1.00 0.00 ATOM 220 N CYS 29 17.508 17.508 15.579 1.00 0.00 ATOM 221 CA CYS 29 18.025 18.005 14.316 1.00 0.00 ATOM 222 CB CYS 29 19.605 18.032 14.477 1.00 0.00 ATOM 223 SG CYS 29 20.576 19.208 13.542 1.00 0.00 ATOM 224 O CYS 29 16.759 16.662 12.803 1.00 0.00 ATOM 225 C CYS 29 17.026 17.782 13.200 1.00 0.00 ATOM 226 N LYS 30 16.530 18.867 12.636 1.00 0.00 ATOM 227 CA LYS 30 15.550 18.783 11.553 1.00 0.00 ATOM 228 CB LYS 30 14.962 20.169 11.275 1.00 0.00 ATOM 229 CG LYS 30 14.178 20.755 12.439 1.00 0.00 ATOM 230 CD LYS 30 13.631 22.132 12.095 1.00 0.00 ATOM 231 CE LYS 30 12.841 22.715 13.257 1.00 0.00 ATOM 232 NZ LYS 30 12.329 24.080 12.950 1.00 0.00 ATOM 233 O LYS 30 15.164 17.918 9.336 1.00 0.00 ATOM 234 C LYS 30 16.008 18.220 10.200 1.00 0.00 ATOM 235 N GLY 31 17.386 18.227 10.012 1.00 0.00 ATOM 236 CA GLY 31 17.884 17.813 8.688 1.00 0.00 ATOM 237 O GLY 31 17.018 16.016 7.456 1.00 0.00 ATOM 238 C GLY 31 17.714 16.353 8.407 1.00 0.00 ATOM 239 N ASP 32 18.316 15.482 9.209 1.00 0.00 ATOM 240 CA ASP 32 18.161 14.047 9.031 1.00 0.00 ATOM 241 CB ASP 32 19.428 13.414 8.517 1.00 0.00 ATOM 242 CG ASP 32 20.598 13.453 9.474 1.00 0.00 ATOM 243 OD1 ASP 32 20.543 14.211 10.455 1.00 0.00 ATOM 244 OD2 ASP 32 21.608 12.779 9.176 1.00 0.00 ATOM 245 O ASP 32 17.923 12.154 10.460 1.00 0.00 ATOM 246 C ASP 32 17.706 13.345 10.275 1.00 0.00 ATOM 247 N ARG 33 17.071 14.131 11.148 1.00 0.00 ATOM 248 CA ARG 33 16.356 13.592 12.318 1.00 0.00 ATOM 249 CB ARG 33 15.417 12.459 11.895 1.00 0.00 ATOM 250 CG ARG 33 14.403 12.856 10.838 1.00 0.00 ATOM 251 CD ARG 33 13.394 11.746 10.594 1.00 0.00 ATOM 252 NE ARG 33 14.044 10.471 10.296 1.00 0.00 ATOM 253 CZ ARG 33 14.440 10.100 9.083 1.00 0.00 ATOM 254 NH1 ARG 33 15.022 8.922 8.906 1.00 0.00 ATOM 255 NH2 ARG 33 14.250 10.908 8.048 1.00 0.00 ATOM 256 O ARG 33 16.536 12.189 14.268 1.00 0.00 ATOM 257 C ARG 33 17.082 12.972 13.507 1.00 0.00 ATOM 258 N LEU 34 18.332 13.352 13.662 1.00 0.00 ATOM 259 CA LEU 34 19.081 12.876 14.815 1.00 0.00 ATOM 260 CB LEU 34 20.562 13.231 14.661 1.00 0.00 ATOM 261 CG LEU 34 21.537 12.750 15.733 1.00 0.00 ATOM 262 CD1 LEU 34 21.406 11.244 15.926 1.00 0.00 ATOM 263 CD2 LEU 34 22.953 13.115 15.315 1.00 0.00 ATOM 264 O LEU 34 17.983 14.693 15.944 1.00 0.00 ATOM 265 C LEU 34 18.502 13.570 16.038 1.00 0.00 ATOM 266 N ALA 35 18.654 12.926 17.180 1.00 0.00 ATOM 267 CA ALA 35 18.185 13.542 18.434 1.00 0.00 ATOM 268 CB ALA 35 16.800 13.064 18.842 1.00 0.00 ATOM 269 O ALA 35 19.718 12.020 19.531 1.00 0.00 ATOM 270 C ALA 35 19.213 13.160 19.525 1.00 0.00 ATOM 271 N PHE 36 19.618 14.158 20.318 1.00 0.00 ATOM 272 CA PHE 36 20.593 13.958 21.399 1.00 0.00 ATOM 273 CB PHE 36 21.734 14.981 21.329 1.00 0.00 ATOM 274 CG PHE 36 22.628 14.824 20.131 1.00 0.00 ATOM 275 CD1 PHE 36 22.214 15.238 18.866 1.00 0.00 ATOM 276 CD2 PHE 36 23.902 14.252 20.268 1.00 0.00 ATOM 277 CE1 PHE 36 23.049 15.087 17.749 1.00 0.00 ATOM 278 CE2 PHE 36 24.740 14.093 19.165 1.00 0.00 ATOM 279 CZ PHE 36 24.319 14.510 17.903 1.00 0.00 ATOM 280 O PHE 36 19.432 15.248 23.047 1.00 0.00 ATOM 281 C PHE 36 19.948 14.165 22.761 1.00 0.00 ATOM 282 N PRO 37 19.782 13.107 23.550 1.00 0.00 ATOM 283 CA PRO 37 19.182 13.219 24.886 1.00 0.00 ATOM 284 CB PRO 37 19.036 11.769 25.349 1.00 0.00 ATOM 285 CG PRO 37 19.059 10.969 24.090 1.00 0.00 ATOM 286 CD PRO 37 19.994 11.690 23.158 1.00 0.00 ATOM 287 O PRO 37 21.378 13.852 25.618 1.00 0.00 ATOM 288 C PRO 37 20.165 14.051 25.721 1.00 0.00 ATOM 289 N ILE 38 19.611 15.031 26.545 1.00 0.00 ATOM 290 CA ILE 38 20.504 15.868 27.347 1.00 0.00 ATOM 291 CB ILE 38 20.586 17.275 26.739 1.00 0.00 ATOM 292 CG1 ILE 38 21.259 17.167 25.367 1.00 0.00 ATOM 293 CG2 ILE 38 21.340 18.224 27.677 1.00 0.00 ATOM 294 CD1 ILE 38 21.417 18.474 24.643 1.00 0.00 ATOM 295 O ILE 38 18.777 16.139 29.001 1.00 0.00 ATOM 296 C ILE 38 19.984 16.070 28.759 1.00 0.00 ATOM 297 N LYS 39 20.988 16.204 29.604 1.00 0.00 ATOM 298 CA LYS 39 20.647 16.416 31.003 1.00 0.00 ATOM 299 CB LYS 39 21.069 15.236 31.881 1.00 0.00 ATOM 300 CG LYS 39 20.271 13.964 31.638 1.00 0.00 ATOM 301 CD LYS 39 20.732 12.840 32.549 1.00 0.00 ATOM 302 CE LYS 39 19.969 11.555 32.273 1.00 0.00 ATOM 303 NZ LYS 39 20.424 10.437 33.146 1.00 0.00 ATOM 304 O LYS 39 22.633 17.668 31.452 1.00 0.00 ATOM 305 C LYS 39 21.402 17.650 31.454 1.00 0.00 ATOM 306 N ASP 40 20.671 18.722 31.972 1.00 0.00 ATOM 307 CA ASP 40 21.316 19.975 32.430 1.00 0.00 ATOM 308 CB ASP 40 21.469 19.996 33.916 1.00 0.00 ATOM 309 CG ASP 40 21.921 18.668 34.490 1.00 0.00 ATOM 310 OD1 ASP 40 22.995 18.176 34.086 1.00 0.00 ATOM 311 OD2 ASP 40 21.197 18.113 35.344 1.00 0.00 ATOM 312 O ASP 40 23.223 21.259 31.606 1.00 0.00 ATOM 313 C ASP 40 22.232 20.547 31.318 1.00 0.00 ATOM 314 N GLY 41 21.836 20.286 30.088 1.00 0.00 ATOM 315 CA GLY 41 22.560 20.836 28.969 1.00 0.00 ATOM 316 O GLY 41 24.430 20.487 27.611 1.00 0.00 ATOM 317 C GLY 41 23.721 20.041 28.520 1.00 0.00 ATOM 318 N ILE 42 23.969 18.902 29.168 1.00 0.00 ATOM 319 CA ILE 42 25.113 18.060 28.810 1.00 0.00 ATOM 320 CB ILE 42 25.691 17.433 30.043 1.00 0.00 ATOM 321 CG1 ILE 42 26.258 18.574 30.874 1.00 0.00 ATOM 322 CG2 ILE 42 26.796 16.447 29.634 1.00 0.00 ATOM 323 CD1 ILE 42 26.667 18.177 32.358 1.00 0.00 ATOM 324 O ILE 42 23.605 16.295 28.252 1.00 0.00 ATOM 325 C ILE 42 24.570 16.962 27.903 1.00 0.00 ATOM 326 N PRO 43 25.145 16.837 26.726 1.00 0.00 ATOM 327 CA PRO 43 24.658 15.854 25.749 1.00 0.00 ATOM 328 CB PRO 43 25.506 16.118 24.517 1.00 0.00 ATOM 329 CG PRO 43 25.833 17.512 24.595 1.00 0.00 ATOM 330 CD PRO 43 26.108 17.757 26.078 1.00 0.00 ATOM 331 O PRO 43 25.987 14.021 26.546 1.00 0.00 ATOM 332 C PRO 43 24.874 14.413 26.204 1.00 0.00 ATOM 333 N MET 44 23.842 13.568 25.952 1.00 0.00 ATOM 334 CA MET 44 23.956 12.147 26.219 1.00 0.00 ATOM 335 CB MET 44 22.765 11.377 25.907 1.00 0.00 ATOM 336 CG MET 44 21.698 11.531 26.991 1.00 0.00 ATOM 337 SD MET 44 22.278 11.121 28.667 1.00 0.00 ATOM 338 CE MET 44 22.360 12.768 29.333 1.00 0.00 ATOM 339 O MET 44 25.812 10.707 25.634 1.00 0.00 ATOM 340 C MET 44 24.955 11.515 25.241 1.00 0.00 ATOM 341 N MET 45 24.802 11.808 23.951 1.00 0.00 ATOM 342 CA MET 45 25.701 11.220 22.957 1.00 0.00 ATOM 343 CB MET 45 25.288 11.644 21.547 1.00 0.00 ATOM 344 CG MET 45 23.989 11.018 21.065 1.00 0.00 ATOM 345 SD MET 45 24.074 9.217 20.983 1.00 0.00 ATOM 346 CE MET 45 25.219 8.996 19.624 1.00 0.00 ATOM 347 O MET 45 28.090 10.941 22.894 1.00 0.00 ATOM 348 C MET 45 27.145 11.686 23.165 1.00 0.00 ATOM 349 N LEU 46 27.263 12.984 23.678 1.00 0.00 ATOM 350 CA LEU 46 28.567 13.520 23.987 1.00 0.00 ATOM 351 CB LEU 46 28.465 14.981 24.429 1.00 0.00 ATOM 352 CG LEU 46 29.779 15.673 24.798 1.00 0.00 ATOM 353 CD1 LEU 46 30.720 15.709 23.604 1.00 0.00 ATOM 354 CD2 LEU 46 29.526 17.103 25.246 1.00 0.00 ATOM 355 O LEU 46 30.333 12.264 24.995 1.00 0.00 ATOM 356 C LEU 46 29.183 12.671 25.105 1.00 0.00 ATOM 357 N GLU 47 28.397 12.299 26.124 1.00 0.00 ATOM 358 CA GLU 47 28.928 11.458 27.199 1.00 0.00 ATOM 359 CB GLU 47 27.887 11.292 28.307 1.00 0.00 ATOM 360 CG GLU 47 27.598 12.566 29.085 1.00 0.00 ATOM 361 CD GLU 47 26.478 12.395 30.091 1.00 0.00 ATOM 362 OE1 GLU 47 25.877 11.300 30.129 1.00 0.00 ATOM 363 OE2 GLU 47 26.200 13.355 30.841 1.00 0.00 ATOM 364 O GLU 47 30.326 9.512 27.044 1.00 0.00 ATOM 365 C GLU 47 29.280 10.063 26.689 1.00 0.00 ATOM 366 N SER 48 28.406 9.487 25.872 1.00 0.00 ATOM 367 CA SER 48 28.646 8.160 25.322 1.00 0.00 ATOM 368 CB SER 48 27.455 7.701 24.479 1.00 0.00 ATOM 369 OG SER 48 26.291 7.560 25.275 1.00 0.00 ATOM 370 O SER 48 30.751 7.229 24.626 1.00 0.00 ATOM 371 C SER 48 29.919 8.128 24.469 1.00 0.00 ATOM 372 N GLU 49 30.092 9.120 23.602 1.00 0.00 ATOM 373 CA GLU 49 31.292 9.179 22.766 1.00 0.00 ATOM 374 CB GLU 49 31.250 10.292 21.718 1.00 0.00 ATOM 375 CG GLU 49 32.394 10.309 20.695 1.00 0.00 ATOM 376 CD GLU 49 32.591 9.081 19.837 1.00 0.00 ATOM 377 OE1 GLU 49 31.589 8.443 19.445 1.00 0.00 ATOM 378 OE2 GLU 49 33.733 8.875 19.462 1.00 0.00 ATOM 379 O GLU 49 33.590 8.796 23.352 1.00 0.00 ATOM 380 C GLU 49 32.533 9.363 23.634 1.00 0.00 ATOM 381 N ALA 50 32.396 10.157 24.692 1.00 0.00 ATOM 382 CA ALA 50 33.512 10.411 25.595 1.00 0.00 ATOM 383 CB ALA 50 33.212 11.454 26.658 1.00 0.00 ATOM 384 O ALA 50 35.156 8.890 26.439 1.00 0.00 ATOM 385 C ALA 50 33.959 9.133 26.303 1.00 0.00 ATOM 386 N ARG 51 33.004 8.271 26.695 1.00 0.00 ATOM 387 CA ARG 51 33.347 7.021 27.367 1.00 0.00 ATOM 388 CB ARG 51 32.028 6.326 27.762 1.00 0.00 ATOM 389 CG ARG 51 31.208 7.145 28.777 1.00 0.00 ATOM 390 CD ARG 51 29.742 6.785 28.793 1.00 0.00 ATOM 391 NE ARG 51 29.033 7.458 29.881 1.00 0.00 ATOM 392 CZ ARG 51 27.864 7.061 30.342 1.00 0.00 ATOM 393 NH1 ARG 51 27.255 6.036 29.782 1.00 0.00 ATOM 394 NH2 ARG 51 27.307 7.682 31.360 1.00 0.00 ATOM 395 O ARG 51 35.192 5.515 27.042 1.00 0.00 ATOM 396 C ARG 51 34.286 6.169 26.515 1.00 0.00 ATOM 397 N GLU 52 33.964 6.216 25.163 1.00 0.00 ATOM 398 CA GLU 52 34.755 5.423 24.228 1.00 0.00 ATOM 399 CB GLU 52 33.957 5.070 22.971 1.00 0.00 ATOM 400 CG GLU 52 32.815 4.095 23.214 1.00 0.00 ATOM 401 CD GLU 52 32.035 3.786 21.952 1.00 0.00 ATOM 402 OE1 GLU 52 32.415 4.297 20.878 1.00 0.00 ATOM 403 OE2 GLU 52 31.042 3.034 22.039 1.00 0.00 ATOM 404 O GLU 52 36.867 5.599 23.145 1.00 0.00 ATOM 405 C GLU 52 35.986 6.191 23.755 1.00 0.00 ATOM 406 N LEU 53 36.027 7.490 24.066 1.00 0.00 ATOM 407 CA LEU 53 37.191 8.247 23.626 1.00 0.00 ATOM 408 CB LEU 53 36.916 9.748 23.733 1.00 0.00 ATOM 409 CG LEU 53 35.869 10.315 22.770 1.00 0.00 ATOM 410 CD1 LEU 53 35.607 11.785 23.064 1.00 0.00 ATOM 411 CD2 LEU 53 36.342 10.196 21.331 1.00 0.00 ATOM 412 O LEU 53 38.155 7.600 25.701 1.00 0.00 ATOM 413 C LEU 53 38.359 7.940 24.546 1.00 0.00 ATOM 414 N ALA 54 39.576 8.038 24.049 1.00 0.00 ATOM 415 CA ALA 54 40.718 7.901 24.952 1.00 0.00 ATOM 416 CB ALA 54 42.022 8.068 24.190 1.00 0.00 ATOM 417 O ALA 54 40.093 10.087 25.808 1.00 0.00 ATOM 418 C ALA 54 40.608 8.976 26.039 1.00 0.00 ATOM 419 N PRO 55 41.113 8.635 27.238 1.00 0.00 ATOM 420 CA PRO 55 41.090 9.536 28.371 1.00 0.00 ATOM 421 CB PRO 55 41.953 8.817 29.415 1.00 0.00 ATOM 422 CG PRO 55 41.596 7.383 29.155 1.00 0.00 ATOM 423 CD PRO 55 41.590 7.276 27.624 1.00 0.00 ATOM 424 O PRO 55 41.350 11.879 28.665 1.00 0.00 ATOM 425 C PRO 55 41.735 10.873 28.069 1.00 0.00 ATOM 426 N GLU 56 42.763 10.918 27.223 1.00 0.00 ATOM 427 CA GLU 56 43.377 12.200 26.896 1.00 0.00 ATOM 428 CB GLU 56 44.534 11.998 25.915 1.00 0.00 ATOM 429 CG GLU 56 45.751 11.320 26.520 1.00 0.00 ATOM 430 CD GLU 56 46.826 11.027 25.492 1.00 0.00 ATOM 431 OE1 GLU 56 46.590 11.287 24.294 1.00 0.00 ATOM 432 OE2 GLU 56 47.907 10.538 25.884 1.00 0.00 ATOM 433 O GLU 56 42.280 14.314 26.613 1.00 0.00 ATOM 434 C GLU 56 42.357 13.134 26.255 1.00 0.00 ATOM 435 N GLU 57 41.453 12.545 25.476 1.00 0.00 ATOM 436 CA GLU 57 40.421 13.330 24.807 1.00 0.00 ATOM 437 CB GLU 57 39.763 12.552 23.665 1.00 0.00 ATOM 438 CG GLU 57 40.695 12.277 22.492 1.00 0.00 ATOM 439 CD GLU 57 41.296 13.552 21.934 1.00 0.00 ATOM 440 OE1 GLU 57 40.509 14.473 21.613 1.00 0.00 ATOM 441 OE2 GLU 57 42.545 13.638 21.835 1.00 0.00 ATOM 442 O GLU 57 38.909 14.941 25.713 1.00 0.00 ATOM 443 C GLU 57 39.385 13.811 25.809 1.00 0.00 ATOM 444 N GLU 58 39.036 12.948 26.751 1.00 0.00 ATOM 445 CA GLU 58 38.077 13.284 27.793 1.00 0.00 ATOM 446 CB GLU 58 37.753 12.034 28.642 1.00 0.00 ATOM 447 CG GLU 58 37.137 10.943 27.873 1.00 0.00 ATOM 448 CD GLU 58 37.031 9.673 28.685 1.00 0.00 ATOM 449 OE1 GLU 58 37.966 9.242 29.346 1.00 0.00 ATOM 450 OE2 GLU 58 35.980 9.019 28.604 1.00 0.00 ATOM 451 O GLU 58 37.851 15.277 29.119 1.00 0.00 ATOM 452 C GLU 58 38.603 14.438 28.652 1.00 0.00 ATOM 453 N VAL 59 39.930 14.445 28.877 1.00 0.00 ATOM 454 CA VAL 59 40.524 15.560 29.657 1.00 0.00 ATOM 455 CB VAL 59 42.038 15.321 29.862 1.00 0.00 ATOM 456 CG1 VAL 59 42.708 16.527 30.517 1.00 0.00 ATOM 457 CG2 VAL 59 42.263 14.063 30.705 1.00 0.00 ATOM 458 O VAL 59 39.966 17.936 29.644 1.00 0.00 ATOM 459 C VAL 59 40.261 16.907 29.020 1.00 0.00 ATOM 460 N LYS 60 40.370 16.961 27.680 1.00 0.00 ATOM 461 CA LYS 60 40.082 18.183 26.924 1.00 0.00 ATOM 462 CB LYS 60 40.449 18.050 25.454 1.00 0.00 ATOM 463 CG LYS 60 41.893 17.903 25.088 1.00 0.00 ATOM 464 CD LYS 60 42.813 18.919 25.745 1.00 0.00 ATOM 465 CE LYS 60 44.244 18.636 25.285 1.00 0.00 ATOM 466 NZ LYS 60 45.136 19.660 25.937 1.00 0.00 ATOM 467 O LYS 60 38.278 19.733 27.204 1.00 0.00 ATOM 468 C LYS 60 38.611 18.567 27.030 1.00 0.00 ATOM 469 N LEU 61 37.740 17.595 26.871 1.00 0.00 ATOM 470 CA LEU 61 36.316 17.877 26.957 1.00 0.00 ATOM 471 CB LEU 61 35.508 16.605 26.712 1.00 0.00 ATOM 472 CG LEU 61 33.984 16.730 26.603 1.00 0.00 ATOM 473 CD1 LEU 61 33.624 17.771 25.552 1.00 0.00 ATOM 474 CD2 LEU 61 33.389 15.371 26.223 1.00 0.00 ATOM 475 O LEU 61 35.281 19.407 28.479 1.00 0.00 ATOM 476 C LEU 61 36.021 18.431 28.342 1.00 0.00 ATOM 477 N GLU 62 36.622 17.837 29.364 1.00 0.00 ATOM 478 CA GLU 62 36.384 18.292 30.732 1.00 0.00 ATOM 479 CB GLU 62 37.059 17.339 31.720 1.00 0.00 ATOM 480 CG GLU 62 36.392 15.978 31.826 1.00 0.00 ATOM 481 CD GLU 62 37.159 15.021 32.716 1.00 0.00 ATOM 482 OE1 GLU 62 38.251 15.397 33.193 1.00 0.00 ATOM 483 OE2 GLU 62 36.667 13.894 32.937 1.00 0.00 ATOM 484 O GLU 62 36.366 20.519 31.629 1.00 0.00 ATOM 485 C GLU 62 36.954 19.692 30.932 1.00 0.00 ATOM 486 N HIS 63 38.130 19.934 30.363 1.00 0.00 ATOM 487 CA HIS 63 38.764 21.245 30.455 1.00 0.00 ATOM 488 CB HIS 63 40.055 21.275 29.635 1.00 0.00 ATOM 489 CG HIS 63 40.746 22.604 29.643 1.00 0.00 ATOM 490 CD2 HIS 63 40.915 23.693 28.692 1.00 0.00 ATOM 491 ND1 HIS 63 41.444 23.072 30.736 1.00 0.00 ATOM 492 CE1 HIS 63 41.948 24.284 30.445 1.00 0.00 ATOM 493 NE2 HIS 63 41.636 24.662 29.221 1.00 0.00 ATOM 494 O HIS 63 37.553 23.316 30.532 1.00 0.00 ATOM 495 C HIS 63 37.784 22.268 29.901 1.00 0.00 ATOM 496 N HIS 64 37.204 21.956 28.743 1.00 0.00 ATOM 497 CA HIS 64 36.321 22.926 28.078 1.00 0.00 ATOM 498 CB HIS 64 36.015 22.484 26.644 1.00 0.00 ATOM 499 CG HIS 64 37.183 22.599 25.715 1.00 0.00 ATOM 500 CD2 HIS 64 38.002 21.664 24.955 1.00 0.00 ATOM 501 ND1 HIS 64 37.755 23.808 25.382 1.00 0.00 ATOM 502 CE1 HIS 64 38.776 23.592 24.535 1.00 0.00 ATOM 503 NE2 HIS 64 38.930 22.309 24.274 1.00 0.00 ATOM 504 O HIS 64 34.393 24.154 28.870 1.00 0.00 ATOM 505 C HIS 64 34.999 23.071 28.849 1.00 0.00 ATOM 506 N HIS 65 34.566 22.000 29.492 1.00 0.00 ATOM 507 CA HIS 65 33.380 22.065 30.348 1.00 0.00 ATOM 508 CB HIS 65 33.085 20.836 31.083 1.00 0.00 ATOM 509 CG HIS 65 31.789 20.880 31.832 1.00 0.00 ATOM 510 CD2 HIS 65 31.508 20.691 33.144 1.00 0.00 ATOM 511 ND1 HIS 65 30.584 21.141 31.216 1.00 0.00 ATOM 512 CE1 HIS 65 29.616 21.110 32.116 1.00 0.00 ATOM 513 NE2 HIS 65 30.151 20.839 33.294 1.00 0.00 ATOM 514 O HIS 65 32.684 23.984 31.661 1.00 0.00 ATOM 515 C HIS 65 33.554 23.119 31.463 1.00 0.00 ATOM 516 N HIS 66 34.705 23.096 32.116 1.00 0.00 ATOM 517 CA HIS 66 34.999 24.055 33.175 1.00 0.00 ATOM 518 CB HIS 66 36.317 23.702 33.868 1.00 0.00 ATOM 519 CG HIS 66 36.670 24.622 34.997 1.00 0.00 ATOM 520 CD2 HIS 66 37.684 25.639 35.229 1.00 0.00 ATOM 521 ND1 HIS 66 35.972 24.644 36.183 1.00 0.00 ATOM 522 CE1 HIS 66 36.521 25.564 36.997 1.00 0.00 ATOM 523 NE2 HIS 66 37.548 26.165 36.431 1.00 0.00 ATOM 524 O HIS 66 34.567 26.454 33.170 1.00 0.00 ATOM 525 C HIS 66 35.076 25.502 32.593 1.00 0.00 ATOM 526 N HIS 67 35.786 25.669 31.509 1.00 0.00 ATOM 527 CA HIS 67 35.957 26.976 30.862 1.00 0.00 ATOM 528 CB HIS 67 36.946 26.675 29.662 1.00 0.00 ATOM 529 CG HIS 67 37.413 27.889 28.924 1.00 0.00 ATOM 530 CD2 HIS 67 37.019 29.185 28.959 1.00 0.00 ATOM 531 ND1 HIS 67 38.398 27.816 27.949 1.00 0.00 ATOM 532 CE1 HIS 67 38.581 29.010 27.414 1.00 0.00 ATOM 533 NE2 HIS 67 37.754 29.860 28.002 1.00 0.00 ATOM 534 O HIS 67 34.372 28.767 30.620 1.00 0.00 ATOM 535 C HIS 67 34.630 27.572 30.428 1.00 0.00 ATOM 536 N HIS 68 33.748 26.737 29.898 1.00 0.00 ATOM 537 CA HIS 68 32.448 27.210 29.428 1.00 0.00 ATOM 538 CB HIS 68 31.688 26.080 28.731 1.00 0.00 ATOM 539 CG HIS 68 30.366 26.499 28.164 1.00 0.00 ATOM 540 CD2 HIS 68 28.970 26.263 28.503 1.00 0.00 ATOM 541 ND1 HIS 68 30.255 27.307 27.054 1.00 0.00 ATOM 542 CE1 HIS 68 28.952 27.508 26.788 1.00 0.00 ATOM 543 NE2 HIS 68 28.176 26.887 27.652 1.00 0.00 ATOM 544 O HIS 68 30.904 28.736 30.478 1.00 0.00 ATOM 545 C HIS 68 31.590 27.713 30.589 1.00 0.00 TER END