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 2 Sun Jul 16 00:03:56 2006 MODEL 2 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 31.135 25.190 28.308 1.00 0.00 ATOM 2 CA MET 1 31.687 26.428 27.738 1.00 0.00 ATOM 3 CB MET 1 33.178 26.261 27.458 1.00 0.00 ATOM 4 CG MET 1 34.021 25.962 28.690 1.00 0.00 ATOM 5 SD MET 1 33.981 27.297 29.901 1.00 0.00 ATOM 6 CE MET 1 34.922 28.558 29.047 1.00 0.00 ATOM 7 O MET 1 30.270 25.943 25.879 1.00 0.00 ATOM 8 C MET 1 30.926 26.807 26.450 1.00 0.00 ATOM 9 N ASP 2 31.303 27.945 25.861 1.00 0.00 ATOM 10 CA ASP 2 30.705 28.382 24.589 1.00 0.00 ATOM 11 CB ASP 2 31.164 29.799 24.239 1.00 0.00 ATOM 12 CG ASP 2 30.539 30.893 25.096 1.00 0.00 ATOM 13 OD1 ASP 2 29.593 30.608 25.790 1.00 0.00 ATOM 14 OD2 ASP 2 31.104 31.957 25.169 1.00 0.00 ATOM 15 O ASP 2 30.122 27.117 22.654 1.00 0.00 ATOM 16 C ASP 2 31.023 27.458 23.413 1.00 0.00 ATOM 17 N ALA 3 32.239 26.924 23.408 1.00 0.00 ATOM 18 CA ALA 3 32.630 25.958 22.372 1.00 0.00 ATOM 19 CB ALA 3 34.090 25.583 22.470 1.00 0.00 ATOM 20 O ALA 3 31.074 24.340 21.558 1.00 0.00 ATOM 21 C ALA 3 31.832 24.653 22.462 1.00 0.00 ATOM 22 N LYS 4 31.711 24.156 23.702 1.00 0.00 ATOM 23 CA LYS 4 30.946 22.922 23.965 1.00 0.00 ATOM 24 CB LYS 4 31.091 22.504 25.429 1.00 0.00 ATOM 25 CG LYS 4 32.475 21.991 25.803 1.00 0.00 ATOM 26 CD LYS 4 32.542 21.597 27.270 1.00 0.00 ATOM 27 CE LYS 4 33.933 21.112 27.652 1.00 0.00 ATOM 28 NZ LYS 4 34.021 20.750 29.093 1.00 0.00 ATOM 29 O LYS 4 28.804 22.274 23.040 1.00 0.00 ATOM 30 C LYS 4 29.471 23.140 23.601 1.00 0.00 ATOM 31 N PHE 5 28.949 24.287 24.009 1.00 0.00 ATOM 32 CA PHE 5 27.557 24.659 23.723 1.00 0.00 ATOM 33 CB PHE 5 27.202 25.976 24.416 1.00 0.00 ATOM 34 CG PHE 5 27.132 25.873 25.913 1.00 0.00 ATOM 35 CD1 PHE 5 27.063 24.636 26.535 1.00 0.00 ATOM 36 CD2 PHE 5 27.134 27.013 26.702 1.00 0.00 ATOM 37 CE1 PHE 5 26.998 24.539 27.912 1.00 0.00 ATOM 38 CE2 PHE 5 27.071 26.921 28.079 1.00 0.00 ATOM 39 CZ PHE 5 27.002 25.682 28.684 1.00 0.00 ATOM 40 O PHE 5 26.301 24.205 21.749 1.00 0.00 ATOM 41 C PHE 5 27.283 24.782 22.228 1.00 0.00 ATOM 42 N LEU 6 28.205 25.418 21.507 1.00 0.00 ATOM 43 CA LEU 6 28.086 25.526 20.036 1.00 0.00 ATOM 44 CB LEU 6 29.216 26.396 19.474 1.00 0.00 ATOM 45 CG LEU 6 29.130 27.886 19.826 1.00 0.00 ATOM 46 CD1 LEU 6 30.393 28.605 19.372 1.00 0.00 ATOM 47 CD2 LEU 6 27.898 28.494 19.170 1.00 0.00 ATOM 48 O LEU 6 27.237 23.888 18.510 1.00 0.00 ATOM 49 C LEU 6 28.096 24.159 19.345 1.00 0.00 ATOM 50 N GLU 7 28.950 23.264 19.837 1.00 0.00 ATOM 51 CA GLU 7 29.027 21.894 19.288 1.00 0.00 ATOM 52 CB GLU 7 30.220 21.143 19.886 1.00 0.00 ATOM 53 CG GLU 7 30.420 19.740 19.334 1.00 0.00 ATOM 54 CD GLU 7 31.450 18.983 20.126 1.00 0.00 ATOM 55 OE1 GLU 7 31.987 19.541 21.052 1.00 0.00 ATOM 56 OE2 GLU 7 31.620 17.813 19.875 1.00 0.00 ATOM 57 O GLU 7 27.253 20.384 18.682 1.00 0.00 ATOM 58 C GLU 7 27.740 21.109 19.543 1.00 0.00 ATOM 59 N ILE 8 27.196 21.263 20.745 1.00 0.00 ATOM 60 CA ILE 8 25.958 20.583 21.146 1.00 0.00 ATOM 61 CB ILE 8 25.780 20.789 22.660 1.00 0.00 ATOM 62 CG1 ILE 8 26.829 19.998 23.441 1.00 0.00 ATOM 63 CG2 ILE 8 24.406 20.348 23.145 1.00 0.00 ATOM 64 CD1 ILE 8 26.909 20.432 24.911 1.00 0.00 ATOM 65 O ILE 8 23.952 20.285 19.837 1.00 0.00 ATOM 66 C ILE 8 24.777 21.080 20.290 1.00 0.00 ATOM 67 N LEU 9 24.747 22.392 20.057 1.00 0.00 ATOM 68 CA LEU 9 23.709 23.004 19.209 1.00 0.00 ATOM 69 CB LEU 9 23.818 24.533 19.259 1.00 0.00 ATOM 70 CG LEU 9 23.422 25.173 20.596 1.00 0.00 ATOM 71 CD1 LEU 9 23.751 26.659 20.581 1.00 0.00 ATOM 72 CD2 LEU 9 21.936 24.952 20.845 1.00 0.00 ATOM 73 O LEU 9 22.820 22.138 17.140 1.00 0.00 ATOM 74 C LEU 9 23.812 22.509 17.762 1.00 0.00 ATOM 75 N VAL 10 25.019 22.559 17.217 1.00 0.00 ATOM 76 CA VAL 10 25.242 22.185 15.818 1.00 0.00 ATOM 77 CB VAL 10 26.545 22.807 15.317 1.00 0.00 ATOM 78 CG1 VAL 10 26.757 22.443 13.869 1.00 0.00 ATOM 79 CG2 VAL 10 26.511 24.322 15.372 1.00 0.00 ATOM 80 O VAL 10 26.161 20.013 16.255 1.00 0.00 ATOM 81 C VAL 10 25.271 20.650 15.713 1.00 0.00 ATOM 82 N CYS 11 24.353 20.114 14.917 1.00 0.00 ATOM 83 CA CYS 11 24.312 18.664 14.672 1.00 0.00 ATOM 84 CB CYS 11 23.289 18.271 13.608 1.00 0.00 ATOM 85 SG CYS 11 23.257 16.445 13.430 1.00 0.00 ATOM 86 O CYS 11 26.130 18.544 13.147 1.00 0.00 ATOM 87 C CYS 11 25.682 18.150 14.221 1.00 0.00 ATOM 88 N PRO 12 26.206 17.131 14.899 1.00 0.00 ATOM 89 CA PRO 12 27.485 16.475 14.571 1.00 0.00 ATOM 90 CB PRO 12 27.637 15.412 15.648 1.00 0.00 ATOM 91 CG PRO 12 26.950 16.048 16.853 1.00 0.00 ATOM 92 CD PRO 12 25.704 16.649 16.209 1.00 0.00 ATOM 93 O PRO 12 28.564 15.718 12.562 1.00 0.00 ATOM 94 C PRO 12 27.507 15.844 13.167 1.00 0.00 ATOM 95 N LEU 13 26.336 15.427 12.698 1.00 0.00 ATOM 96 CA LEU 13 26.200 14.817 11.371 1.00 0.00 ATOM 97 CB LEU 13 24.751 14.368 11.139 1.00 0.00 ATOM 98 CG LEU 13 24.483 13.704 9.783 1.00 0.00 ATOM 99 CD1 LEU 13 25.273 12.408 9.671 1.00 0.00 ATOM 100 CD2 LEU 13 22.992 13.442 9.631 1.00 0.00 ATOM 101 O LEU 13 27.706 15.613 9.701 1.00 0.00 ATOM 102 C LEU 13 26.642 15.790 10.268 1.00 0.00 ATOM 103 N CYS 14 25.817 16.776 9.970 1.00 0.00 ATOM 104 CA CYS 14 26.150 17.729 8.893 1.00 0.00 ATOM 105 CB CYS 14 25.318 17.435 7.658 1.00 0.00 ATOM 106 SG CYS 14 25.603 15.747 7.053 1.00 0.00 ATOM 107 O CYS 14 25.669 20.017 8.413 1.00 0.00 ATOM 108 C CYS 14 25.963 19.188 9.252 1.00 0.00 ATOM 109 N LYS 15 25.895 19.439 10.571 1.00 0.00 ATOM 110 CA LYS 15 25.944 20.779 11.142 1.00 0.00 ATOM 111 CB LYS 15 27.301 21.405 10.803 1.00 0.00 ATOM 112 CG LYS 15 27.712 21.673 9.352 1.00 0.00 ATOM 113 CD LYS 15 29.110 22.248 9.263 1.00 0.00 ATOM 114 CE LYS 15 29.651 22.029 7.869 1.00 0.00 ATOM 115 NZ LYS 15 31.032 22.445 7.883 1.00 0.00 ATOM 116 O LYS 15 24.722 22.856 11.414 1.00 0.00 ATOM 117 C LYS 15 24.710 21.690 11.010 1.00 0.00 ATOM 118 N GLY 16 23.555 21.054 10.814 1.00 0.00 ATOM 119 CA GLY 16 22.248 21.742 10.923 1.00 0.00 ATOM 120 O GLY 16 22.293 21.360 13.272 1.00 0.00 ATOM 121 C GLY 16 22.043 22.178 12.384 1.00 0.00 ATOM 122 N PRO 17 21.565 23.397 12.666 1.00 0.00 ATOM 123 CA PRO 17 21.321 23.839 14.047 1.00 0.00 ATOM 124 CB PRO 17 21.012 25.333 13.943 1.00 0.00 ATOM 125 CG PRO 17 20.397 25.476 12.549 1.00 0.00 ATOM 126 CD PRO 17 21.157 24.444 11.712 1.00 0.00 ATOM 127 O PRO 17 19.069 22.990 14.062 1.00 0.00 ATOM 128 C PRO 17 20.140 23.072 14.656 1.00 0.00 ATOM 129 N LEU 18 20.445 22.368 15.740 1.00 0.00 ATOM 130 CA LEU 18 19.430 21.614 16.494 1.00 0.00 ATOM 131 CB LEU 18 20.105 20.571 17.394 1.00 0.00 ATOM 132 CG LEU 18 21.033 19.587 16.670 1.00 0.00 ATOM 133 CD1 LEU 18 21.550 18.541 17.649 1.00 0.00 ATOM 134 CD2 LEU 18 20.280 18.927 15.524 1.00 0.00 ATOM 135 O LEU 18 19.003 23.592 17.746 1.00 0.00 ATOM 136 C LEU 18 18.556 22.535 17.324 1.00 0.00 ATOM 137 N VAL 19 17.378 22.051 17.654 1.00 0.00 ATOM 138 CA VAL 19 16.451 22.800 18.526 1.00 0.00 ATOM 139 CB VAL 19 15.095 23.038 17.836 1.00 0.00 ATOM 140 CG1 VAL 19 14.120 23.830 18.708 1.00 0.00 ATOM 141 CG2 VAL 19 15.258 23.788 16.506 1.00 0.00 ATOM 142 O VAL 19 16.140 20.828 19.826 1.00 0.00 ATOM 143 C VAL 19 16.279 22.049 19.835 1.00 0.00 ATOM 144 N PHE 20 16.235 22.808 20.923 1.00 0.00 ATOM 145 CA PHE 20 15.960 22.243 22.246 1.00 0.00 ATOM 146 CB PHE 20 16.451 23.204 23.336 1.00 0.00 ATOM 147 CG PHE 20 16.293 22.596 24.721 1.00 0.00 ATOM 148 CD1 PHE 20 17.189 21.637 25.171 1.00 0.00 ATOM 149 CD2 PHE 20 15.267 23.035 25.539 1.00 0.00 ATOM 150 CE1 PHE 20 17.032 21.103 26.449 1.00 0.00 ATOM 151 CE2 PHE 20 15.118 22.512 26.817 1.00 0.00 ATOM 152 CZ PHE 20 15.997 21.541 27.256 1.00 0.00 ATOM 153 O PHE 20 13.657 22.909 22.215 1.00 0.00 ATOM 154 C PHE 20 14.457 21.983 22.394 1.00 0.00 ATOM 155 N ASP 21 14.144 20.751 22.760 1.00 0.00 ATOM 156 CA ASP 21 12.769 20.356 23.077 1.00 0.00 ATOM 157 CB ASP 21 12.438 19.004 22.439 1.00 0.00 ATOM 158 CG ASP 21 11.015 18.524 22.685 1.00 0.00 ATOM 159 OD1 ASP 21 10.306 19.177 23.413 1.00 0.00 ATOM 160 OD2 ASP 21 10.599 17.602 22.025 1.00 0.00 ATOM 161 O ASP 21 13.220 19.460 25.260 1.00 0.00 ATOM 162 C ASP 21 12.622 20.313 24.603 1.00 0.00 ATOM 163 N LYS 22 11.937 21.316 25.151 1.00 0.00 ATOM 164 CA LYS 22 11.710 21.403 26.610 1.00 0.00 ATOM 165 CB LYS 22 10.899 22.654 26.951 1.00 0.00 ATOM 166 CG LYS 22 11.657 23.963 26.773 1.00 0.00 ATOM 167 CD LYS 22 10.789 25.158 27.138 1.00 0.00 ATOM 168 CE LYS 22 11.539 26.468 26.942 1.00 0.00 ATOM 169 NZ LYS 22 10.690 27.648 27.261 1.00 0.00 ATOM 170 O LYS 22 11.289 19.816 28.332 1.00 0.00 ATOM 171 C LYS 22 11.001 20.188 27.206 1.00 0.00 ATOM 172 N SER 23 10.021 19.650 26.478 1.00 0.00 ATOM 173 CA SER 23 9.256 18.489 26.994 1.00 0.00 ATOM 174 CB SER 23 8.172 18.097 26.007 1.00 0.00 ATOM 175 OG SER 23 7.188 19.087 25.887 1.00 0.00 ATOM 176 O SER 23 10.098 16.700 28.374 1.00 0.00 ATOM 177 C SER 23 10.149 17.281 27.285 1.00 0.00 ATOM 178 N LYS 24 11.003 16.990 26.318 1.00 0.00 ATOM 179 CA LYS 24 11.908 15.822 26.371 1.00 0.00 ATOM 180 CB LYS 24 12.074 15.210 24.979 1.00 0.00 ATOM 181 CG LYS 24 10.798 14.615 24.397 1.00 0.00 ATOM 182 CD LYS 24 11.042 14.025 23.017 1.00 0.00 ATOM 183 CE LYS 24 9.775 13.406 22.446 1.00 0.00 ATOM 184 NZ LYS 24 10.005 12.804 21.105 1.00 0.00 ATOM 185 O LYS 24 14.034 15.142 27.186 1.00 0.00 ATOM 186 C LYS 24 13.314 16.094 26.931 1.00 0.00 ATOM 187 N ASP 25 13.705 17.365 27.028 1.00 0.00 ATOM 188 CA ASP 25 15.073 17.776 27.433 1.00 0.00 ATOM 189 CB ASP 25 15.360 17.344 28.872 1.00 0.00 ATOM 190 CG ASP 25 14.499 18.036 29.921 1.00 0.00 ATOM 191 OD1 ASP 25 14.428 19.241 29.900 1.00 0.00 ATOM 192 OD2 ASP 25 13.800 17.353 30.632 1.00 0.00 ATOM 193 O ASP 25 17.021 16.402 26.796 1.00 0.00 ATOM 194 C ASP 25 16.111 17.172 26.459 1.00 0.00 ATOM 195 N GLU 26 15.815 17.385 25.197 1.00 0.00 ATOM 196 CA GLU 26 16.634 16.838 24.099 1.00 0.00 ATOM 197 CB GLU 26 15.950 15.621 23.473 1.00 0.00 ATOM 198 CG GLU 26 15.581 14.528 24.467 1.00 0.00 ATOM 199 CD GLU 26 15.111 13.286 23.762 1.00 0.00 ATOM 200 OE1 GLU 26 15.078 13.287 22.555 1.00 0.00 ATOM 201 OE2 GLU 26 14.892 12.298 24.424 1.00 0.00 ATOM 202 O GLU 26 16.255 18.999 23.066 1.00 0.00 ATOM 203 C GLU 26 16.872 17.926 23.064 1.00 0.00 ATOM 204 N LEU 27 17.868 17.665 22.232 1.00 0.00 ATOM 205 CA LEU 27 18.141 18.510 21.069 1.00 0.00 ATOM 206 CB LEU 27 19.603 18.930 21.066 1.00 0.00 ATOM 207 CG LEU 27 19.884 20.000 22.104 1.00 0.00 ATOM 208 CD1 LEU 27 21.358 20.303 22.017 1.00 0.00 ATOM 209 CD2 LEU 27 19.197 21.277 21.681 1.00 0.00 ATOM 210 O LEU 27 18.406 16.633 19.606 1.00 0.00 ATOM 211 C LEU 27 17.843 17.708 19.810 1.00 0.00 ATOM 212 N ILE 28 17.002 18.292 18.977 1.00 0.00 ATOM 213 CA ILE 28 16.531 17.602 17.757 1.00 0.00 ATOM 214 CB ILE 28 14.994 17.613 17.659 1.00 0.00 ATOM 215 CG1 ILE 28 14.476 19.050 17.568 1.00 0.00 ATOM 216 CG2 ILE 28 14.380 16.897 18.851 1.00 0.00 ATOM 217 CD1 ILE 28 13.007 19.149 17.223 1.00 0.00 ATOM 218 O ILE 28 17.064 19.482 16.359 1.00 0.00 ATOM 219 C ILE 28 17.133 18.261 16.517 1.00 0.00 ATOM 220 N CYS 29 17.475 17.384 15.583 1.00 0.00 ATOM 221 CA CYS 29 17.915 17.756 14.238 1.00 0.00 ATOM 222 CB CYS 29 19.048 16.858 13.726 1.00 0.00 ATOM 223 SG CYS 29 19.762 17.626 12.223 1.00 0.00 ATOM 224 O CYS 29 16.190 16.462 13.191 1.00 0.00 ATOM 225 C CYS 29 16.746 17.537 13.296 1.00 0.00 ATOM 226 N LYS 30 16.489 18.564 12.495 1.00 0.00 ATOM 227 CA LYS 30 15.456 18.523 11.474 1.00 0.00 ATOM 228 CB LYS 30 14.930 19.931 11.186 1.00 0.00 ATOM 229 CG LYS 30 14.182 20.571 12.348 1.00 0.00 ATOM 230 CD LYS 30 13.687 21.963 11.986 1.00 0.00 ATOM 231 CE LYS 30 12.915 22.593 13.136 1.00 0.00 ATOM 232 NZ LYS 30 12.408 23.949 12.790 1.00 0.00 ATOM 233 O LYS 30 15.091 17.442 9.382 1.00 0.00 ATOM 234 C LYS 30 15.933 17.885 10.152 1.00 0.00 ATOM 235 N GLY 31 17.244 17.861 9.928 1.00 0.00 ATOM 236 CA GLY 31 17.851 17.405 8.657 1.00 0.00 ATOM 237 O GLY 31 16.930 15.532 7.441 1.00 0.00 ATOM 238 C GLY 31 17.637 15.907 8.376 1.00 0.00 ATOM 239 N ASP 32 18.182 15.078 9.252 1.00 0.00 ATOM 240 CA ASP 32 18.090 13.605 9.125 1.00 0.00 ATOM 241 CB ASP 32 19.476 12.998 8.900 1.00 0.00 ATOM 242 CG ASP 32 19.461 11.547 8.438 1.00 0.00 ATOM 243 OD1 ASP 32 18.726 11.241 7.529 1.00 0.00 ATOM 244 OD2 ASP 32 20.291 10.792 8.887 1.00 0.00 ATOM 245 O ASP 32 17.503 11.686 10.500 1.00 0.00 ATOM 246 C ASP 32 17.445 12.909 10.333 1.00 0.00 ATOM 247 N ARG 33 16.927 13.758 11.200 1.00 0.00 ATOM 248 CA ARG 33 16.194 13.462 12.440 1.00 0.00 ATOM 249 CB ARG 33 14.897 12.712 12.175 1.00 0.00 ATOM 250 CG ARG 33 13.874 13.475 11.348 1.00 0.00 ATOM 251 CD ARG 33 12.609 12.737 11.105 1.00 0.00 ATOM 252 NE ARG 33 11.696 13.394 10.183 1.00 0.00 ATOM 253 CZ ARG 33 10.508 12.889 9.794 1.00 0.00 ATOM 254 NH1 ARG 33 10.103 11.710 10.211 1.00 0.00 ATOM 255 NH2 ARG 33 9.771 13.602 8.961 1.00 0.00 ATOM 256 O ARG 33 16.344 12.154 14.469 1.00 0.00 ATOM 257 C ARG 33 16.963 12.705 13.555 1.00 0.00 ATOM 258 N LEU 34 18.235 13.067 13.725 1.00 0.00 ATOM 259 CA LEU 34 19.018 12.695 14.924 1.00 0.00 ATOM 260 CB LEU 34 20.515 12.994 14.767 1.00 0.00 ATOM 261 CG LEU 34 21.203 12.213 13.637 1.00 0.00 ATOM 262 CD1 LEU 34 22.650 12.686 13.505 1.00 0.00 ATOM 263 CD2 LEU 34 21.203 10.713 13.902 1.00 0.00 ATOM 264 O LEU 34 17.990 14.596 16.016 1.00 0.00 ATOM 265 C LEU 34 18.481 13.468 16.139 1.00 0.00 ATOM 266 N ALA 35 18.522 12.809 17.287 1.00 0.00 ATOM 267 CA ALA 35 18.118 13.441 18.550 1.00 0.00 ATOM 268 CB ALA 35 16.757 12.932 19.014 1.00 0.00 ATOM 269 O ALA 35 19.642 11.989 19.691 1.00 0.00 ATOM 270 C ALA 35 19.161 13.117 19.609 1.00 0.00 ATOM 271 N PHE 36 19.512 14.126 20.386 1.00 0.00 ATOM 272 CA PHE 36 20.465 13.969 21.489 1.00 0.00 ATOM 273 CB PHE 36 21.635 14.940 21.327 1.00 0.00 ATOM 274 CG PHE 36 22.473 14.681 20.108 1.00 0.00 ATOM 275 CD1 PHE 36 22.170 15.288 18.898 1.00 0.00 ATOM 276 CD2 PHE 36 23.566 13.830 20.168 1.00 0.00 ATOM 277 CE1 PHE 36 22.942 15.051 17.775 1.00 0.00 ATOM 278 CE2 PHE 36 24.339 13.591 19.048 1.00 0.00 ATOM 279 CZ PHE 36 24.026 14.203 17.850 1.00 0.00 ATOM 280 O PHE 36 19.419 15.322 23.141 1.00 0.00 ATOM 281 C PHE 36 19.752 14.191 22.828 1.00 0.00 ATOM 282 N PRO 37 19.502 13.109 23.592 1.00 0.00 ATOM 283 CA PRO 37 18.947 13.235 24.953 1.00 0.00 ATOM 284 CB PRO 37 18.862 11.786 25.388 1.00 0.00 ATOM 285 CG PRO 37 18.588 11.020 24.111 1.00 0.00 ATOM 286 CD PRO 37 19.611 11.699 23.203 1.00 0.00 ATOM 287 O PRO 37 21.161 13.741 25.654 1.00 0.00 ATOM 288 C PRO 37 19.959 13.978 25.819 1.00 0.00 ATOM 289 N ILE 38 19.508 15.006 26.525 1.00 0.00 ATOM 290 CA ILE 38 20.427 15.825 27.352 1.00 0.00 ATOM 291 CB ILE 38 20.636 17.224 26.746 1.00 0.00 ATOM 292 CG1 ILE 38 21.411 17.125 25.428 1.00 0.00 ATOM 293 CG2 ILE 38 21.367 18.127 27.729 1.00 0.00 ATOM 294 CD1 ILE 38 21.245 18.329 24.530 1.00 0.00 ATOM 295 O ILE 38 18.821 16.476 28.962 1.00 0.00 ATOM 296 C ILE 38 19.906 15.975 28.784 1.00 0.00 ATOM 297 N LYS 39 20.841 15.901 29.709 1.00 0.00 ATOM 298 CA LYS 39 20.575 16.227 31.125 1.00 0.00 ATOM 299 CB LYS 39 20.889 15.027 32.019 1.00 0.00 ATOM 300 CG LYS 39 20.580 15.243 33.495 1.00 0.00 ATOM 301 CD LYS 39 20.929 14.013 34.319 1.00 0.00 ATOM 302 CE LYS 39 20.611 14.225 35.793 1.00 0.00 ATOM 303 NZ LYS 39 20.873 13.003 36.599 1.00 0.00 ATOM 304 O LYS 39 22.612 17.470 31.298 1.00 0.00 ATOM 305 C LYS 39 21.402 17.440 31.523 1.00 0.00 ATOM 306 N ASP 40 20.716 18.454 32.031 1.00 0.00 ATOM 307 CA ASP 40 21.395 19.680 32.536 1.00 0.00 ATOM 308 CB ASP 40 22.233 19.357 33.776 1.00 0.00 ATOM 309 CG ASP 40 21.423 18.890 34.979 1.00 0.00 ATOM 310 OD1 ASP 40 20.470 19.550 35.319 1.00 0.00 ATOM 311 OD2 ASP 40 21.666 17.804 35.447 1.00 0.00 ATOM 312 O ASP 40 23.404 20.807 31.743 1.00 0.00 ATOM 313 C ASP 40 22.294 20.343 31.475 1.00 0.00 ATOM 314 N GLY 41 21.814 20.372 30.241 1.00 0.00 ATOM 315 CA GLY 41 22.553 20.980 29.103 1.00 0.00 ATOM 316 O GLY 41 24.416 20.460 27.635 1.00 0.00 ATOM 317 C GLY 41 23.703 20.107 28.563 1.00 0.00 ATOM 318 N ILE 42 23.887 18.903 29.104 1.00 0.00 ATOM 319 CA ILE 42 24.940 17.991 28.610 1.00 0.00 ATOM 320 CB ILE 42 25.843 17.498 29.755 1.00 0.00 ATOM 321 CG1 ILE 42 26.545 18.680 30.428 1.00 0.00 ATOM 322 CG2 ILE 42 26.862 16.496 29.235 1.00 0.00 ATOM 323 CD1 ILE 42 27.279 18.312 31.698 1.00 0.00 ATOM 324 O ILE 42 23.514 16.058 28.509 1.00 0.00 ATOM 325 C ILE 42 24.305 16.790 27.897 1.00 0.00 ATOM 326 N PRO 43 24.684 16.539 26.647 1.00 0.00 ATOM 327 CA PRO 43 24.194 15.384 25.890 1.00 0.00 ATOM 328 CB PRO 43 24.906 15.466 24.562 1.00 0.00 ATOM 329 CG PRO 43 25.233 16.938 24.375 1.00 0.00 ATOM 330 CD PRO 43 25.521 17.408 25.792 1.00 0.00 ATOM 331 O PRO 43 25.682 13.954 27.101 1.00 0.00 ATOM 332 C PRO 43 24.594 14.081 26.565 1.00 0.00 ATOM 333 N MET 44 23.734 13.090 26.324 1.00 0.00 ATOM 334 CA MET 44 24.000 11.720 26.772 1.00 0.00 ATOM 335 CB MET 44 22.791 10.830 26.494 1.00 0.00 ATOM 336 CG MET 44 22.971 9.376 26.906 1.00 0.00 ATOM 337 SD MET 44 21.538 8.357 26.505 1.00 0.00 ATOM 338 CE MET 44 21.688 8.249 24.723 1.00 0.00 ATOM 339 O MET 44 26.187 10.722 26.767 1.00 0.00 ATOM 340 C MET 44 25.247 11.142 26.095 1.00 0.00 ATOM 341 N MET 45 25.289 11.282 24.770 1.00 0.00 ATOM 342 CA MET 45 26.426 10.780 23.983 1.00 0.00 ATOM 343 CB MET 45 26.124 10.890 22.490 1.00 0.00 ATOM 344 CG MET 45 25.040 9.943 21.995 1.00 0.00 ATOM 345 SD MET 45 25.466 8.207 22.246 1.00 0.00 ATOM 346 CE MET 45 26.814 8.019 21.084 1.00 0.00 ATOM 347 O MET 45 28.748 10.863 24.482 1.00 0.00 ATOM 348 C MET 45 27.733 11.509 24.287 1.00 0.00 ATOM 349 N LEU 46 27.647 12.816 24.522 1.00 0.00 ATOM 350 CA LEU 46 28.815 13.667 24.757 1.00 0.00 ATOM 351 CB LEU 46 28.417 15.146 24.682 1.00 0.00 ATOM 352 CG LEU 46 29.564 16.142 24.895 1.00 0.00 ATOM 353 CD1 LEU 46 30.630 15.948 23.824 1.00 0.00 ATOM 354 CD2 LEU 46 29.017 17.562 24.860 1.00 0.00 ATOM 355 O LEU 46 30.653 13.254 26.135 1.00 0.00 ATOM 356 C LEU 46 29.450 13.356 26.095 1.00 0.00 ATOM 357 N GLU 47 28.685 13.162 27.167 1.00 0.00 ATOM 358 CA GLU 47 29.272 12.784 28.461 1.00 0.00 ATOM 359 CB GLU 47 28.204 12.792 29.557 1.00 0.00 ATOM 360 CG GLU 47 28.729 12.471 30.949 1.00 0.00 ATOM 361 CD GLU 47 27.635 12.548 31.977 1.00 0.00 ATOM 362 OE1 GLU 47 26.524 12.851 31.613 1.00 0.00 ATOM 363 OE2 GLU 47 27.882 12.196 33.106 1.00 0.00 ATOM 364 O GLU 47 31.056 11.267 28.876 1.00 0.00 ATOM 365 C GLU 47 29.943 11.408 28.400 1.00 0.00 ATOM 366 N SER 48 29.283 10.454 27.745 1.00 0.00 ATOM 367 CA SER 48 29.863 9.108 27.532 1.00 0.00 ATOM 368 CB SER 48 28.832 8.190 26.904 1.00 0.00 ATOM 369 OG SER 48 27.760 7.931 27.769 1.00 0.00 ATOM 370 O SER 48 32.201 8.747 27.094 1.00 0.00 ATOM 371 C SER 48 31.122 9.157 26.658 1.00 0.00 ATOM 372 N GLU 49 31.011 9.864 25.540 1.00 0.00 ATOM 373 CA GLU 49 32.130 10.043 24.587 1.00 0.00 ATOM 374 CB GLU 49 31.628 10.664 23.282 1.00 0.00 ATOM 375 CG GLU 49 30.761 9.740 22.438 1.00 0.00 ATOM 376 CD GLU 49 30.212 10.454 21.234 1.00 0.00 ATOM 377 OE1 GLU 49 30.442 11.632 21.111 1.00 0.00 ATOM 378 OE2 GLU 49 29.657 9.800 20.383 1.00 0.00 ATOM 379 O GLU 49 34.419 10.556 25.131 1.00 0.00 ATOM 380 C GLU 49 33.251 10.914 25.181 1.00 0.00 ATOM 381 N ALA 50 32.850 11.938 25.938 1.00 0.00 ATOM 382 CA ALA 50 33.790 12.847 26.619 1.00 0.00 ATOM 383 CB ALA 50 33.159 14.122 27.198 1.00 0.00 ATOM 384 O ALA 50 35.687 12.335 27.945 1.00 0.00 ATOM 385 C ALA 50 34.504 12.111 27.743 1.00 0.00 ATOM 386 N ARG 51 33.791 11.256 28.473 1.00 0.00 ATOM 387 CA ARG 51 34.424 10.466 29.553 1.00 0.00 ATOM 388 CB ARG 51 33.403 9.694 30.373 1.00 0.00 ATOM 389 CG ARG 51 33.981 8.915 31.545 1.00 0.00 ATOM 390 CD ARG 51 32.982 8.117 32.302 1.00 0.00 ATOM 391 NE ARG 51 32.383 7.029 31.546 1.00 0.00 ATOM 392 CZ ARG 51 32.981 5.846 31.301 1.00 0.00 ATOM 393 NH1 ARG 51 34.206 5.608 31.717 1.00 0.00 ATOM 394 NH2 ARG 51 32.314 4.939 30.611 1.00 0.00 ATOM 395 O ARG 51 36.591 9.462 29.597 1.00 0.00 ATOM 396 C ARG 51 35.512 9.542 28.999 1.00 0.00 ATOM 397 N GLU 52 35.179 8.851 27.913 1.00 0.00 ATOM 398 CA GLU 52 36.135 7.947 27.266 1.00 0.00 ATOM 399 CB GLU 52 35.470 7.207 26.104 1.00 0.00 ATOM 400 CG GLU 52 34.445 6.164 26.527 1.00 0.00 ATOM 401 CD GLU 52 33.744 5.572 25.337 1.00 0.00 ATOM 402 OE1 GLU 52 33.996 6.015 24.242 1.00 0.00 ATOM 403 OE2 GLU 52 33.041 4.604 25.506 1.00 0.00 ATOM 404 O GLU 52 38.465 8.209 26.981 1.00 0.00 ATOM 405 C GLU 52 37.365 8.700 26.768 1.00 0.00 ATOM 406 N LEU 53 37.150 9.860 26.144 1.00 0.00 ATOM 407 CA LEU 53 38.222 10.719 25.595 1.00 0.00 ATOM 408 CB LEU 53 37.739 11.416 24.316 1.00 0.00 ATOM 409 CG LEU 53 37.285 10.475 23.193 1.00 0.00 ATOM 410 CD1 LEU 53 36.800 11.287 21.998 1.00 0.00 ATOM 411 CD2 LEU 53 38.435 9.564 22.794 1.00 0.00 ATOM 412 O LEU 53 38.233 11.840 27.728 1.00 0.00 ATOM 413 C LEU 53 38.709 11.774 26.608 1.00 0.00 ATOM 414 N ALA 54 39.732 12.528 26.214 1.00 0.00 ATOM 415 CA ALA 54 40.293 13.601 27.070 1.00 0.00 ATOM 416 CB ALA 54 41.814 13.421 27.107 1.00 0.00 ATOM 417 O ALA 54 39.480 15.099 25.391 1.00 0.00 ATOM 418 C ALA 54 39.894 14.991 26.549 1.00 0.00 ATOM 419 N PRO 55 40.133 16.072 27.307 1.00 0.00 ATOM 420 CA PRO 55 39.855 17.450 26.849 1.00 0.00 ATOM 421 CB PRO 55 40.433 18.377 27.920 1.00 0.00 ATOM 422 CG PRO 55 40.362 17.523 29.178 1.00 0.00 ATOM 423 CD PRO 55 40.619 16.090 28.703 1.00 0.00 ATOM 424 O PRO 55 39.921 18.244 24.597 1.00 0.00 ATOM 425 C PRO 55 40.546 17.722 25.507 1.00 0.00 ATOM 426 N GLU 56 41.758 17.182 25.341 1.00 0.00 ATOM 427 CA GLU 56 42.538 17.323 24.097 1.00 0.00 ATOM 428 CB GLU 56 43.956 16.780 24.288 1.00 0.00 ATOM 429 CG GLU 56 44.835 17.623 25.202 1.00 0.00 ATOM 430 CD GLU 56 46.214 17.039 25.324 1.00 0.00 ATOM 431 OE1 GLU 56 46.468 16.029 24.713 1.00 0.00 ATOM 432 OE2 GLU 56 47.049 17.661 25.938 1.00 0.00 ATOM 433 O GLU 56 41.505 17.218 21.902 1.00 0.00 ATOM 434 C GLU 56 41.886 16.621 22.912 1.00 0.00 ATOM 435 N GLU 57 41.717 15.310 23.039 1.00 0.00 ATOM 436 CA GLU 57 41.089 14.497 21.970 1.00 0.00 ATOM 437 CB GLU 57 41.083 13.016 22.356 1.00 0.00 ATOM 438 CG GLU 57 42.457 12.360 22.346 1.00 0.00 ATOM 439 CD GLU 57 43.096 12.450 20.988 1.00 0.00 ATOM 440 OE1 GLU 57 42.468 12.069 20.030 1.00 0.00 ATOM 441 OE2 GLU 57 44.166 13.004 20.893 1.00 0.00 ATOM 442 O GLU 57 39.285 15.030 20.477 1.00 0.00 ATOM 443 C GLU 57 39.657 14.934 21.645 1.00 0.00 ATOM 444 N GLU 58 38.924 15.335 22.691 1.00 0.00 ATOM 445 CA GLU 58 37.534 15.784 22.548 1.00 0.00 ATOM 446 CB GLU 58 36.923 16.063 23.912 1.00 0.00 ATOM 447 CG GLU 58 35.472 16.560 23.839 1.00 0.00 ATOM 448 CD GLU 58 34.933 16.881 25.237 1.00 0.00 ATOM 449 OE1 GLU 58 35.690 16.703 26.223 1.00 0.00 ATOM 450 OE2 GLU 58 33.770 17.319 25.351 1.00 0.00 ATOM 451 O GLU 58 36.587 17.180 20.830 1.00 0.00 ATOM 452 C GLU 58 37.427 17.070 21.721 1.00 0.00 ATOM 453 N VAL 59 38.338 17.998 21.981 1.00 0.00 ATOM 454 CA VAL 59 38.340 19.280 21.247 1.00 0.00 ATOM 455 CB VAL 59 39.339 20.273 21.842 1.00 0.00 ATOM 456 CG1 VAL 59 39.554 21.524 20.973 1.00 0.00 ATOM 457 CG2 VAL 59 38.745 20.759 23.165 1.00 0.00 ATOM 458 O VAL 59 37.907 19.616 18.905 1.00 0.00 ATOM 459 C VAL 59 38.585 19.034 19.753 1.00 0.00 ATOM 460 N LYS 60 39.534 18.160 19.448 1.00 0.00 ATOM 461 CA LYS 60 39.777 17.790 18.030 1.00 0.00 ATOM 462 CB LYS 60 40.872 16.731 17.922 1.00 0.00 ATOM 463 CG LYS 60 42.238 17.274 18.330 1.00 0.00 ATOM 464 CD LYS 60 43.273 16.154 18.218 1.00 0.00 ATOM 465 CE LYS 60 44.624 16.640 18.745 1.00 0.00 ATOM 466 NZ LYS 60 45.664 15.614 18.587 1.00 0.00 ATOM 467 O LYS 60 38.199 17.651 16.218 1.00 0.00 ATOM 468 C LYS 60 38.507 17.271 17.354 1.00 0.00 ATOM 469 N LEU 61 37.743 16.478 18.104 1.00 0.00 ATOM 470 CA LEU 61 36.461 15.930 17.648 1.00 0.00 ATOM 471 CB LEU 61 35.922 14.920 18.668 1.00 0.00 ATOM 472 CG LEU 61 34.624 14.211 18.262 1.00 0.00 ATOM 473 CD1 LEU 61 34.837 13.426 16.975 1.00 0.00 ATOM 474 CD2 LEU 61 34.174 13.291 19.387 1.00 0.00 ATOM 475 O LEU 61 34.723 16.936 16.344 1.00 0.00 ATOM 476 C LEU 61 35.377 16.993 17.386 1.00 0.00 ATOM 477 N GLU 62 35.404 18.058 18.186 1.00 0.00 ATOM 478 CA GLU 62 34.467 19.192 18.041 1.00 0.00 ATOM 479 CB GLU 62 34.693 20.219 19.154 1.00 0.00 ATOM 480 CG GLU 62 33.907 21.512 18.985 1.00 0.00 ATOM 481 CD GLU 62 34.185 22.471 20.108 1.00 0.00 ATOM 482 OE1 GLU 62 33.986 22.105 21.241 1.00 0.00 ATOM 483 OE2 GLU 62 34.705 23.530 19.843 1.00 0.00 ATOM 484 O GLU 62 33.656 20.046 15.907 1.00 0.00 ATOM 485 C GLU 62 34.615 19.860 16.668 1.00 0.00 ATOM 486 N HIS 63 35.865 20.104 16.292 1.00 0.00 ATOM 487 CA HIS 63 36.169 20.735 14.993 1.00 0.00 ATOM 488 CB HIS 63 37.643 21.147 14.922 1.00 0.00 ATOM 489 CG HIS 63 37.990 22.298 15.813 1.00 0.00 ATOM 490 CD2 HIS 63 38.809 22.380 16.887 1.00 0.00 ATOM 491 ND1 HIS 63 37.462 23.561 15.636 1.00 0.00 ATOM 492 CE1 HIS 63 37.944 24.369 16.564 1.00 0.00 ATOM 493 NE2 HIS 63 38.762 23.677 17.335 1.00 0.00 ATOM 494 O HIS 63 35.420 20.335 12.754 1.00 0.00 ATOM 495 C HIS 63 35.852 19.847 13.790 1.00 0.00 ATOM 496 N HIS 64 36.028 18.532 13.957 1.00 0.00 ATOM 497 CA HIS 64 35.656 17.580 12.890 1.00 0.00 ATOM 498 CB HIS 64 36.105 16.160 13.252 1.00 0.00 ATOM 499 CG HIS 64 37.590 15.971 13.215 1.00 0.00 ATOM 500 CD2 HIS 64 38.574 16.738 12.689 1.00 0.00 ATOM 501 ND1 HIS 64 38.215 14.874 13.771 1.00 0.00 ATOM 502 CE1 HIS 64 39.520 14.975 13.588 1.00 0.00 ATOM 503 NE2 HIS 64 39.763 16.097 12.936 1.00 0.00 ATOM 504 O HIS 64 33.790 17.635 11.428 1.00 0.00 ATOM 505 C HIS 64 34.157 17.568 12.597 1.00 0.00 ATOM 506 N HIS 65 33.354 17.601 13.657 1.00 0.00 ATOM 507 CA HIS 65 31.892 17.693 13.519 1.00 0.00 ATOM 508 CB HIS 65 31.214 17.634 14.891 1.00 0.00 ATOM 509 CG HIS 65 31.309 16.294 15.552 1.00 0.00 ATOM 510 CD2 HIS 65 31.692 15.088 15.072 1.00 0.00 ATOM 511 ND1 HIS 65 30.984 16.094 16.878 1.00 0.00 ATOM 512 CE1 HIS 65 31.163 14.821 17.184 1.00 0.00 ATOM 513 NE2 HIS 65 31.591 14.190 16.107 1.00 0.00 ATOM 514 O HIS 65 30.884 18.979 11.746 1.00 0.00 ATOM 515 C HIS 65 31.537 18.985 12.785 1.00 0.00 ATOM 516 N HIS 66 32.094 20.088 13.312 1.00 0.00 ATOM 517 CA HIS 66 31.951 21.422 12.716 1.00 0.00 ATOM 518 CB HIS 66 32.786 22.450 13.485 1.00 0.00 ATOM 519 CG HIS 66 32.258 22.752 14.853 1.00 0.00 ATOM 520 CD2 HIS 66 31.070 22.463 15.435 1.00 0.00 ATOM 521 ND1 HIS 66 32.992 23.438 15.799 1.00 0.00 ATOM 522 CE1 HIS 66 32.276 23.557 16.904 1.00 0.00 ATOM 523 NE2 HIS 66 31.108 22.973 16.709 1.00 0.00 ATOM 524 O HIS 66 31.791 22.117 10.435 1.00 0.00 ATOM 525 C HIS 66 32.361 21.396 11.245 1.00 0.00 ATOM 526 N HIS 67 33.419 20.662 10.928 1.00 0.00 ATOM 527 CA HIS 67 33.901 20.494 9.544 1.00 0.00 ATOM 528 CB HIS 67 35.234 19.739 9.523 1.00 0.00 ATOM 529 CG HIS 67 36.381 20.529 10.072 1.00 0.00 ATOM 530 CD2 HIS 67 36.500 21.847 10.358 1.00 0.00 ATOM 531 ND1 HIS 67 37.594 19.956 10.391 1.00 0.00 ATOM 532 CE1 HIS 67 38.410 20.889 10.850 1.00 0.00 ATOM 533 NE2 HIS 67 37.771 22.044 10.840 1.00 0.00 ATOM 534 O HIS 67 32.638 20.201 7.556 1.00 0.00 ATOM 535 C HIS 67 32.877 19.759 8.677 1.00 0.00 ATOM 536 N HIS 68 32.356 18.650 9.192 1.00 0.00 ATOM 537 CA HIS 68 31.355 17.813 8.493 1.00 0.00 ATOM 538 CB HIS 68 31.081 16.563 9.300 1.00 0.00 ATOM 539 CG HIS 68 32.272 15.615 9.399 1.00 0.00 ATOM 540 CD2 HIS 68 32.444 14.500 10.119 1.00 0.00 ATOM 541 ND1 HIS 68 33.355 15.781 8.676 1.00 0.00 ATOM 542 CE1 HIS 68 34.199 14.799 8.893 1.00 0.00 ATOM 543 NE2 HIS 68 33.641 14.011 9.783 1.00 0.00 ATOM 544 O HIS 68 29.953 19.589 8.989 1.00 0.00 ATOM 545 C HIS 68 30.010 18.533 8.351 1.00 0.00 TER END