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 3 Sun Jul 16 00:03:57 2006 MODEL 3 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 32.747 23.905 27.544 1.00 0.00 ATOM 2 CA MET 1 33.510 23.668 26.343 1.00 0.00 ATOM 3 CB MET 1 33.467 22.184 25.968 1.00 0.00 ATOM 4 CG MET 1 34.355 21.818 24.791 1.00 0.00 ATOM 5 SD MET 1 36.110 21.960 25.174 1.00 0.00 ATOM 6 CE MET 1 36.319 20.605 26.324 1.00 0.00 ATOM 7 O MET 1 31.924 24.213 24.703 1.00 0.00 ATOM 8 C MET 1 33.079 24.357 25.067 1.00 0.00 ATOM 9 N ASP 2 33.936 25.131 24.432 1.00 0.00 ATOM 10 CA ASP 2 33.527 25.803 23.183 1.00 0.00 ATOM 11 CB ASP 2 34.691 26.653 22.671 1.00 0.00 ATOM 12 CG ASP 2 34.926 27.889 23.516 1.00 0.00 ATOM 13 OD1 ASP 2 34.047 28.220 24.341 1.00 0.00 ATOM 14 OD2 ASP 2 35.987 28.526 23.354 1.00 0.00 ATOM 15 O ASP 2 32.187 24.855 21.425 1.00 0.00 ATOM 16 C ASP 2 33.175 24.727 22.146 1.00 0.00 ATOM 17 N ALA 3 33.992 23.674 22.082 1.00 0.00 ATOM 18 CA ALA 3 33.757 22.584 21.128 1.00 0.00 ATOM 19 CB ALA 3 34.867 21.574 21.180 1.00 0.00 ATOM 20 O ALA 3 31.692 21.508 20.508 1.00 0.00 ATOM 21 C ALA 3 32.442 21.865 21.423 1.00 0.00 ATOM 22 N LYS 4 32.176 21.645 22.705 1.00 0.00 ATOM 23 CA LYS 4 30.961 20.955 23.119 1.00 0.00 ATOM 24 CB LYS 4 30.935 20.728 24.610 1.00 0.00 ATOM 25 CG LYS 4 29.760 19.902 25.093 1.00 0.00 ATOM 26 CD LYS 4 29.886 18.455 24.641 1.00 0.00 ATOM 27 CE LYS 4 28.708 17.624 25.117 1.00 0.00 ATOM 28 NZ LYS 4 28.830 16.207 24.672 1.00 0.00 ATOM 29 O LYS 4 28.751 21.309 22.240 1.00 0.00 ATOM 30 C LYS 4 29.730 21.800 22.808 1.00 0.00 ATOM 31 N PHE 5 29.784 23.099 23.173 1.00 0.00 ATOM 32 CA PHE 5 28.681 24.008 22.912 1.00 0.00 ATOM 33 CB PHE 5 28.966 25.370 23.590 1.00 0.00 ATOM 34 CG PHE 5 27.875 26.411 23.408 1.00 0.00 ATOM 35 CD1 PHE 5 26.752 26.426 24.230 1.00 0.00 ATOM 36 CD2 PHE 5 28.000 27.397 22.433 1.00 0.00 ATOM 37 CE1 PHE 5 25.770 27.413 24.076 1.00 0.00 ATOM 38 CE2 PHE 5 27.022 28.391 22.278 1.00 0.00 ATOM 39 CZ PHE 5 25.914 28.393 23.097 1.00 0.00 ATOM 40 O PHE 5 27.280 24.422 20.996 1.00 0.00 ATOM 41 C PHE 5 28.434 24.197 21.423 1.00 0.00 ATOM 42 N LEU 6 29.490 24.267 20.646 1.00 0.00 ATOM 43 CA LEU 6 29.341 24.400 19.211 1.00 0.00 ATOM 44 CB LEU 6 30.712 24.489 18.538 1.00 0.00 ATOM 45 CG LEU 6 30.712 24.580 17.011 1.00 0.00 ATOM 46 CD1 LEU 6 29.992 25.835 16.544 1.00 0.00 ATOM 47 CD2 LEU 6 32.136 24.621 16.476 1.00 0.00 ATOM 48 O LEU 6 27.738 23.322 17.796 1.00 0.00 ATOM 49 C LEU 6 28.627 23.185 18.634 1.00 0.00 ATOM 50 N GLU 7 29.054 21.993 19.052 1.00 0.00 ATOM 51 CA GLU 7 28.432 20.773 18.547 1.00 0.00 ATOM 52 CB GLU 7 29.169 19.539 19.066 1.00 0.00 ATOM 53 CG GLU 7 30.546 19.333 18.453 1.00 0.00 ATOM 54 CD GLU 7 31.296 18.174 19.078 1.00 0.00 ATOM 55 OE1 GLU 7 30.772 17.578 20.042 1.00 0.00 ATOM 56 OE2 GLU 7 32.408 17.864 18.605 1.00 0.00 ATOM 57 O GLU 7 26.128 20.241 18.221 1.00 0.00 ATOM 58 C GLU 7 26.984 20.679 18.988 1.00 0.00 ATOM 59 N ILE 8 26.713 21.070 20.241 1.00 0.00 ATOM 60 CA ILE 8 25.339 21.044 20.707 1.00 0.00 ATOM 61 CB ILE 8 25.200 21.502 22.165 1.00 0.00 ATOM 62 CG1 ILE 8 23.793 21.197 22.680 1.00 0.00 ATOM 63 CG2 ILE 8 25.510 22.992 22.317 1.00 0.00 ATOM 64 CD1 ILE 8 23.588 21.560 24.145 1.00 0.00 ATOM 65 O ILE 8 23.335 21.758 19.588 1.00 0.00 ATOM 66 C ILE 8 24.498 22.021 19.889 1.00 0.00 ATOM 67 N LEU 9 25.096 23.195 19.532 1.00 0.00 ATOM 68 CA LEU 9 24.389 24.186 18.738 1.00 0.00 ATOM 69 CB LEU 9 25.262 25.428 18.541 1.00 0.00 ATOM 70 CG LEU 9 24.649 26.562 17.716 1.00 0.00 ATOM 71 CD1 LEU 9 23.393 27.098 18.387 1.00 0.00 ATOM 72 CD2 LEU 9 25.634 27.710 17.566 1.00 0.00 ATOM 73 O LEU 9 22.915 23.658 16.972 1.00 0.00 ATOM 74 C LEU 9 24.055 23.577 17.385 1.00 0.00 ATOM 75 N VAL 10 25.165 23.048 16.735 1.00 0.00 ATOM 76 CA VAL 10 24.995 22.515 15.366 1.00 0.00 ATOM 77 CB VAL 10 25.995 23.176 14.385 1.00 0.00 ATOM 78 CG1 VAL 10 25.787 24.688 14.355 1.00 0.00 ATOM 79 CG2 VAL 10 27.418 22.850 14.797 1.00 0.00 ATOM 80 O VAL 10 26.187 20.463 15.742 1.00 0.00 ATOM 81 C VAL 10 25.200 21.007 15.252 1.00 0.00 ATOM 82 N CYS 11 24.312 20.379 14.562 1.00 0.00 ATOM 83 CA CYS 11 24.412 18.938 14.411 1.00 0.00 ATOM 84 CB CYS 11 23.383 18.544 13.367 1.00 0.00 ATOM 85 SG CYS 11 23.233 16.799 13.137 1.00 0.00 ATOM 86 O CYS 11 26.033 18.824 12.637 1.00 0.00 ATOM 87 C CYS 11 25.704 18.447 13.764 1.00 0.00 ATOM 88 N PRO 12 26.463 17.555 14.471 1.00 0.00 ATOM 89 CA PRO 12 27.726 17.010 13.966 1.00 0.00 ATOM 90 CB PRO 12 28.277 16.237 15.167 1.00 0.00 ATOM 91 CG PRO 12 27.605 16.878 16.350 1.00 0.00 ATOM 92 CD PRO 12 26.210 17.095 15.847 1.00 0.00 ATOM 93 O PRO 12 28.334 16.201 11.796 1.00 0.00 ATOM 94 C PRO 12 27.512 16.178 12.706 1.00 0.00 ATOM 95 N LEU 13 26.381 15.433 12.637 1.00 0.00 ATOM 96 CA LEU 13 26.085 14.590 11.480 1.00 0.00 ATOM 97 CB LEU 13 24.825 13.770 11.697 1.00 0.00 ATOM 98 CG LEU 13 25.051 12.462 12.439 1.00 0.00 ATOM 99 CD1 LEU 13 23.731 11.922 12.952 1.00 0.00 ATOM 100 CD2 LEU 13 25.748 11.443 11.532 1.00 0.00 ATOM 101 O LEU 13 26.443 15.058 9.163 1.00 0.00 ATOM 102 C LEU 13 25.841 15.378 10.181 1.00 0.00 ATOM 103 N CYS 14 24.996 16.412 10.220 1.00 0.00 ATOM 104 CA CYS 14 24.547 17.050 8.987 1.00 0.00 ATOM 105 CB CYS 14 22.928 16.257 8.902 1.00 0.00 ATOM 106 SG CYS 14 21.877 17.442 9.794 1.00 0.00 ATOM 107 O CYS 14 24.185 19.236 8.072 1.00 0.00 ATOM 108 C CYS 14 24.694 18.563 8.996 1.00 0.00 ATOM 109 N LYS 15 25.351 19.121 10.024 1.00 0.00 ATOM 110 CA LYS 15 25.582 20.572 10.030 1.00 0.00 ATOM 111 CB LYS 15 26.255 20.851 8.591 1.00 0.00 ATOM 112 CG LYS 15 27.547 20.090 8.328 1.00 0.00 ATOM 113 CD LYS 15 27.321 18.645 7.919 1.00 0.00 ATOM 114 CE LYS 15 28.602 17.826 7.931 1.00 0.00 ATOM 115 NZ LYS 15 28.423 16.461 7.380 1.00 0.00 ATOM 116 O LYS 15 24.870 22.803 10.563 1.00 0.00 ATOM 117 C LYS 15 24.539 21.632 10.375 1.00 0.00 ATOM 118 N GLY 16 23.182 21.265 10.462 1.00 0.00 ATOM 119 CA GLY 16 22.125 22.208 10.770 1.00 0.00 ATOM 120 O GLY 16 22.146 21.635 13.132 1.00 0.00 ATOM 121 C GLY 16 21.906 22.490 12.261 1.00 0.00 ATOM 122 N PRO 17 21.474 23.677 12.572 1.00 0.00 ATOM 123 CA PRO 17 21.184 24.006 13.976 1.00 0.00 ATOM 124 CB PRO 17 20.560 25.384 13.887 1.00 0.00 ATOM 125 CG PRO 17 21.288 26.004 12.725 1.00 0.00 ATOM 126 CD PRO 17 21.278 24.888 11.708 1.00 0.00 ATOM 127 O PRO 17 19.210 22.635 13.859 1.00 0.00 ATOM 128 C PRO 17 20.169 23.013 14.538 1.00 0.00 ATOM 129 N LEU 18 20.421 22.633 15.762 1.00 0.00 ATOM 130 CA LEU 18 19.548 21.679 16.429 1.00 0.00 ATOM 131 CB LEU 18 20.326 20.463 17.013 1.00 0.00 ATOM 132 CG LEU 18 21.385 19.704 16.174 1.00 0.00 ATOM 133 CD1 LEU 18 21.805 18.428 16.922 1.00 0.00 ATOM 134 CD2 LEU 18 21.003 19.488 14.824 1.00 0.00 ATOM 135 O LEU 18 19.184 22.836 18.508 1.00 0.00 ATOM 136 C LEU 18 18.673 22.340 17.503 1.00 0.00 ATOM 137 N VAL 19 17.338 22.293 17.333 1.00 0.00 ATOM 138 CA VAL 19 16.419 22.884 18.308 1.00 0.00 ATOM 139 CB VAL 19 15.040 23.162 17.683 1.00 0.00 ATOM 140 CG1 VAL 19 15.169 24.122 16.513 1.00 0.00 ATOM 141 CG2 VAL 19 14.412 21.873 17.179 1.00 0.00 ATOM 142 O VAL 19 16.576 20.774 19.438 1.00 0.00 ATOM 143 C VAL 19 16.250 21.952 19.507 1.00 0.00 ATOM 144 N PHE 20 15.715 22.478 20.600 1.00 0.00 ATOM 145 CA PHE 20 15.484 21.678 21.787 1.00 0.00 ATOM 146 CB PHE 20 15.954 22.407 23.062 1.00 0.00 ATOM 147 CG PHE 20 17.381 22.883 22.962 1.00 0.00 ATOM 148 CD1 PHE 20 17.671 24.078 22.322 1.00 0.00 ATOM 149 CD2 PHE 20 18.415 22.132 23.487 1.00 0.00 ATOM 150 CE1 PHE 20 18.976 24.512 22.197 1.00 0.00 ATOM 151 CE2 PHE 20 19.722 22.568 23.378 1.00 0.00 ATOM 152 CZ PHE 20 20.001 23.751 22.723 1.00 0.00 ATOM 153 O PHE 20 13.156 22.181 21.583 1.00 0.00 ATOM 154 C PHE 20 14.013 21.311 21.822 1.00 0.00 ATOM 155 N ASP 21 13.709 20.052 22.110 1.00 0.00 ATOM 156 CA ASP 21 12.345 19.552 22.225 1.00 0.00 ATOM 157 CB ASP 21 12.215 18.196 21.523 1.00 0.00 ATOM 158 CG ASP 21 10.803 17.647 21.581 1.00 0.00 ATOM 159 OD1 ASP 21 9.952 18.262 22.257 1.00 0.00 ATOM 160 OD2 ASP 21 10.549 16.597 20.954 1.00 0.00 ATOM 161 O ASP 21 12.585 18.415 24.335 1.00 0.00 ATOM 162 C ASP 21 12.078 19.364 23.713 1.00 0.00 ATOM 163 N LYS 22 11.529 20.541 24.368 1.00 0.00 ATOM 164 CA LYS 22 11.262 20.602 25.819 1.00 0.00 ATOM 165 CB LYS 22 10.507 21.880 26.189 1.00 0.00 ATOM 166 CG LYS 22 11.335 23.148 26.062 1.00 0.00 ATOM 167 CD LYS 22 10.527 24.375 26.446 1.00 0.00 ATOM 168 CE LYS 22 11.346 25.647 26.296 1.00 0.00 ATOM 169 NZ LYS 22 10.556 26.860 26.637 1.00 0.00 ATOM 170 O LYS 22 10.560 19.011 27.477 1.00 0.00 ATOM 171 C LYS 22 10.395 19.452 26.338 1.00 0.00 ATOM 172 N SER 23 9.486 19.088 25.496 1.00 0.00 ATOM 173 CA SER 23 8.561 18.021 25.873 1.00 0.00 ATOM 174 CB SER 23 7.548 17.771 24.756 1.00 0.00 ATOM 175 OG SER 23 6.685 18.882 24.591 1.00 0.00 ATOM 176 O SER 23 8.804 15.897 26.976 1.00 0.00 ATOM 177 C SER 23 9.259 16.687 26.138 1.00 0.00 ATOM 178 N LYS 24 10.341 16.421 25.408 1.00 0.00 ATOM 179 CA LYS 24 11.062 15.157 25.539 1.00 0.00 ATOM 180 CB LYS 24 10.647 14.273 24.270 1.00 0.00 ATOM 181 CG LYS 24 9.203 13.838 24.181 1.00 0.00 ATOM 182 CD LYS 24 8.911 12.759 25.179 1.00 0.00 ATOM 183 CE LYS 24 7.666 11.963 24.776 1.00 0.00 ATOM 184 NZ LYS 24 7.817 11.254 23.474 1.00 0.00 ATOM 185 O LYS 24 13.191 14.299 26.231 1.00 0.00 ATOM 186 C LYS 24 12.460 15.287 26.133 1.00 0.00 ATOM 187 N ASP 25 12.837 16.504 26.508 1.00 0.00 ATOM 188 CA ASP 25 14.163 16.740 27.077 1.00 0.00 ATOM 189 CB ASP 25 14.273 15.994 28.409 1.00 0.00 ATOM 190 CG ASP 25 13.320 16.536 29.459 1.00 0.00 ATOM 191 OD1 ASP 25 13.312 17.765 29.676 1.00 0.00 ATOM 192 OD2 ASP 25 12.582 15.731 30.062 1.00 0.00 ATOM 193 O ASP 25 16.305 15.740 26.611 1.00 0.00 ATOM 194 C ASP 25 15.294 16.277 26.155 1.00 0.00 ATOM 195 N GLU 26 15.164 16.529 24.924 1.00 0.00 ATOM 196 CA GLU 26 16.164 16.120 23.942 1.00 0.00 ATOM 197 CB GLU 26 15.660 14.888 23.188 1.00 0.00 ATOM 198 CG GLU 26 15.449 13.665 24.064 1.00 0.00 ATOM 199 CD GLU 26 14.968 12.461 23.278 1.00 0.00 ATOM 200 OE1 GLU 26 14.753 12.597 22.056 1.00 0.00 ATOM 201 OE2 GLU 26 14.806 11.381 23.886 1.00 0.00 ATOM 202 O GLU 26 15.642 18.221 22.929 1.00 0.00 ATOM 203 C GLU 26 16.429 17.273 22.997 1.00 0.00 ATOM 204 N LEU 27 17.584 17.235 22.347 1.00 0.00 ATOM 205 CA LEU 27 17.935 18.206 21.320 1.00 0.00 ATOM 206 CB LEU 27 19.414 18.470 21.378 1.00 0.00 ATOM 207 CG LEU 27 19.859 19.297 20.171 1.00 0.00 ATOM 208 CD1 LEU 27 19.313 20.686 20.245 1.00 0.00 ATOM 209 CD2 LEU 27 21.379 19.329 20.153 1.00 0.00 ATOM 210 O LEU 27 18.311 16.225 20.044 1.00 0.00 ATOM 211 C LEU 27 17.739 17.310 20.102 1.00 0.00 ATOM 212 N ILE 28 16.868 17.718 19.187 1.00 0.00 ATOM 213 CA ILE 28 16.559 16.915 18.003 1.00 0.00 ATOM 214 CB ILE 28 15.077 16.495 18.007 1.00 0.00 ATOM 215 CG1 ILE 28 14.759 15.667 19.253 1.00 0.00 ATOM 216 CG2 ILE 28 14.758 15.660 16.778 1.00 0.00 ATOM 217 CD1 ILE 28 13.286 15.362 19.425 1.00 0.00 ATOM 218 O ILE 28 16.275 18.807 16.546 1.00 0.00 ATOM 219 C ILE 28 16.834 17.718 16.735 1.00 0.00 ATOM 220 N CYS 29 17.706 17.187 15.880 1.00 0.00 ATOM 221 CA CYS 29 18.103 17.873 14.653 1.00 0.00 ATOM 222 CB CYS 29 19.384 17.246 14.133 1.00 0.00 ATOM 223 SG CYS 29 19.897 17.872 12.552 1.00 0.00 ATOM 224 O CYS 29 16.756 16.651 13.078 1.00 0.00 ATOM 225 C CYS 29 17.071 17.753 13.541 1.00 0.00 ATOM 226 N LYS 30 16.563 18.895 13.066 1.00 0.00 ATOM 227 CA LYS 30 15.561 18.913 12.000 1.00 0.00 ATOM 228 CB LYS 30 14.974 20.318 11.840 1.00 0.00 ATOM 229 CG LYS 30 14.132 20.776 13.019 1.00 0.00 ATOM 230 CD LYS 30 13.613 22.189 12.810 1.00 0.00 ATOM 231 CE LYS 30 12.742 22.634 13.974 1.00 0.00 ATOM 232 NZ LYS 30 12.235 24.022 13.789 1.00 0.00 ATOM 233 O LYS 30 15.337 18.241 9.720 1.00 0.00 ATOM 234 C LYS 30 16.106 18.498 10.627 1.00 0.00 ATOM 235 N GLY 31 17.483 18.448 10.437 1.00 0.00 ATOM 236 CA GLY 31 18.053 18.088 9.153 1.00 0.00 ATOM 237 O GLY 31 17.303 16.217 7.868 1.00 0.00 ATOM 238 C GLY 31 17.960 16.599 8.844 1.00 0.00 ATOM 239 N ASP 32 18.597 15.752 9.647 1.00 0.00 ATOM 240 CA ASP 32 18.542 14.319 9.398 1.00 0.00 ATOM 241 CB ASP 32 19.926 13.824 8.975 1.00 0.00 ATOM 242 CG ASP 32 20.966 14.006 10.062 1.00 0.00 ATOM 243 OD1 ASP 32 20.607 14.496 11.152 1.00 0.00 ATOM 244 OD2 ASP 32 22.143 13.657 9.822 1.00 0.00 ATOM 245 O ASP 32 18.333 12.279 10.636 1.00 0.00 ATOM 246 C ASP 32 18.132 13.493 10.614 1.00 0.00 ATOM 247 N ARG 33 17.581 14.172 11.624 1.00 0.00 ATOM 248 CA ARG 33 17.080 13.494 12.805 1.00 0.00 ATOM 249 CB ARG 33 15.536 13.125 12.382 1.00 0.00 ATOM 250 CG ARG 33 14.647 14.303 12.010 1.00 0.00 ATOM 251 CD ARG 33 13.252 13.863 11.551 1.00 0.00 ATOM 252 NE ARG 33 12.581 12.995 12.518 1.00 0.00 ATOM 253 CZ ARG 33 12.390 13.304 13.799 1.00 0.00 ATOM 254 NH1 ARG 33 12.824 14.466 14.267 1.00 0.00 ATOM 255 NH2 ARG 33 11.769 12.453 14.608 1.00 0.00 ATOM 256 O ARG 33 17.647 12.069 14.643 1.00 0.00 ATOM 257 C ARG 33 18.005 12.987 13.908 1.00 0.00 ATOM 258 N LEU 34 19.176 13.591 14.042 1.00 0.00 ATOM 259 CA LEU 34 20.104 13.169 15.088 1.00 0.00 ATOM 260 CB LEU 34 21.415 13.924 14.961 1.00 0.00 ATOM 261 CG LEU 34 22.531 13.591 15.950 1.00 0.00 ATOM 262 CD1 LEU 34 22.795 12.089 15.959 1.00 0.00 ATOM 263 CD2 LEU 34 23.787 14.352 15.554 1.00 0.00 ATOM 264 O LEU 34 18.725 14.618 16.462 1.00 0.00 ATOM 265 C LEU 34 19.445 13.611 16.406 1.00 0.00 ATOM 266 N ALA 35 19.681 12.843 17.463 1.00 0.00 ATOM 267 CA ALA 35 19.106 13.144 18.776 1.00 0.00 ATOM 268 CB ALA 35 18.040 12.080 19.107 1.00 0.00 ATOM 269 O ALA 35 20.899 12.174 20.001 1.00 0.00 ATOM 270 C ALA 35 20.121 13.133 19.886 1.00 0.00 ATOM 271 N PHE 36 20.081 14.145 20.827 1.00 0.00 ATOM 272 CA PHE 36 20.968 14.106 21.968 1.00 0.00 ATOM 273 CB PHE 36 21.849 15.328 21.941 1.00 0.00 ATOM 274 CG PHE 36 22.789 15.367 20.738 1.00 0.00 ATOM 275 CD1 PHE 36 22.621 16.295 19.720 1.00 0.00 ATOM 276 CD2 PHE 36 23.865 14.515 20.657 1.00 0.00 ATOM 277 CE1 PHE 36 23.517 16.338 18.637 1.00 0.00 ATOM 278 CE2 PHE 36 24.752 14.557 19.558 1.00 0.00 ATOM 279 CZ PHE 36 24.573 15.471 18.577 1.00 0.00 ATOM 280 O PHE 36 19.175 15.077 23.199 1.00 0.00 ATOM 281 C PHE 36 20.193 14.377 23.248 1.00 0.00 ATOM 282 N PRO 37 20.596 13.788 24.376 1.00 0.00 ATOM 283 CA PRO 37 19.895 14.013 25.625 1.00 0.00 ATOM 284 CB PRO 37 20.402 12.900 26.495 1.00 0.00 ATOM 285 CG PRO 37 21.805 12.669 26.011 1.00 0.00 ATOM 286 CD PRO 37 21.772 12.914 24.506 1.00 0.00 ATOM 287 O PRO 37 21.576 15.683 25.862 1.00 0.00 ATOM 288 C PRO 37 20.399 15.382 26.076 1.00 0.00 ATOM 289 N ILE 38 19.510 16.292 26.438 1.00 0.00 ATOM 290 CA ILE 38 19.914 17.630 26.838 1.00 0.00 ATOM 291 CB ILE 38 19.351 18.712 25.875 1.00 0.00 ATOM 292 CG1 ILE 38 19.898 18.576 24.436 1.00 0.00 ATOM 293 CG2 ILE 38 19.507 20.081 26.498 1.00 0.00 ATOM 294 CD1 ILE 38 21.397 18.670 24.235 1.00 0.00 ATOM 295 O ILE 38 18.147 17.676 28.450 1.00 0.00 ATOM 296 C ILE 38 19.326 17.925 28.206 1.00 0.00 ATOM 297 N LYS 39 20.154 18.445 29.100 1.00 0.00 ATOM 298 CA LYS 39 19.694 18.772 30.437 1.00 0.00 ATOM 299 CB LYS 39 19.981 17.620 31.396 1.00 0.00 ATOM 300 CG LYS 39 19.587 17.917 32.831 1.00 0.00 ATOM 301 CD LYS 39 19.777 16.697 33.727 1.00 0.00 ATOM 302 CE LYS 39 19.313 16.982 35.157 1.00 0.00 ATOM 303 NZ LYS 39 19.433 15.781 36.041 1.00 0.00 ATOM 304 O LYS 39 21.664 20.055 30.890 1.00 0.00 ATOM 305 C LYS 39 20.432 20.011 30.906 1.00 0.00 ATOM 306 N ASP 40 19.669 21.011 31.320 1.00 0.00 ATOM 307 CA ASP 40 20.216 22.274 31.791 1.00 0.00 ATOM 308 CB ASP 40 20.915 22.078 33.139 1.00 0.00 ATOM 309 CG ASP 40 19.958 21.656 34.236 1.00 0.00 ATOM 310 OD1 ASP 40 18.902 22.306 34.387 1.00 0.00 ATOM 311 OD2 ASP 40 20.265 20.675 34.946 1.00 0.00 ATOM 312 O ASP 40 22.231 23.460 31.238 1.00 0.00 ATOM 313 C ASP 40 21.200 22.929 30.819 1.00 0.00 ATOM 314 N GLY 41 20.864 22.904 29.537 1.00 0.00 ATOM 315 CA GLY 41 21.723 23.532 28.540 1.00 0.00 ATOM 316 O GLY 41 23.722 23.176 27.295 1.00 0.00 ATOM 317 C GLY 41 22.943 22.727 28.131 1.00 0.00 ATOM 318 N ILE 42 23.127 21.471 28.719 1.00 0.00 ATOM 319 CA ILE 42 24.260 20.635 28.372 1.00 0.00 ATOM 320 CB ILE 42 25.021 20.080 29.590 1.00 0.00 ATOM 321 CG1 ILE 42 25.575 21.228 30.438 1.00 0.00 ATOM 322 CG2 ILE 42 26.182 19.208 29.142 1.00 0.00 ATOM 323 CD1 ILE 42 26.108 20.788 31.784 1.00 0.00 ATOM 324 O ILE 42 22.860 18.760 27.844 1.00 0.00 ATOM 325 C ILE 42 23.828 19.449 27.521 1.00 0.00 ATOM 326 N PRO 43 24.570 19.186 26.451 1.00 0.00 ATOM 327 CA PRO 43 24.252 18.055 25.593 1.00 0.00 ATOM 328 CB PRO 43 24.499 18.611 24.164 1.00 0.00 ATOM 329 CG PRO 43 25.763 19.411 24.420 1.00 0.00 ATOM 330 CD PRO 43 25.688 19.957 25.856 1.00 0.00 ATOM 331 O PRO 43 26.257 16.932 26.272 1.00 0.00 ATOM 332 C PRO 43 25.051 16.846 26.045 1.00 0.00 ATOM 333 N MET 44 24.362 15.725 26.209 1.00 0.00 ATOM 334 CA MET 44 25.012 14.503 26.639 1.00 0.00 ATOM 335 CB MET 44 24.214 13.850 27.754 1.00 0.00 ATOM 336 CG MET 44 24.887 12.597 28.307 1.00 0.00 ATOM 337 SD MET 44 23.921 11.779 29.764 1.00 0.00 ATOM 338 CE MET 44 22.596 10.815 28.721 1.00 0.00 ATOM 339 O MET 44 24.037 13.485 24.699 1.00 0.00 ATOM 340 C MET 44 25.025 13.556 25.447 1.00 0.00 ATOM 341 N MET 45 26.147 12.915 25.174 1.00 0.00 ATOM 342 CA MET 45 26.155 12.005 24.023 1.00 0.00 ATOM 343 CB MET 45 27.589 11.747 23.555 1.00 0.00 ATOM 344 CG MET 45 28.264 12.956 22.932 1.00 0.00 ATOM 345 SD MET 45 27.495 13.462 21.383 1.00 0.00 ATOM 346 CE MET 45 28.095 12.190 20.274 1.00 0.00 ATOM 347 O MET 45 25.808 10.237 25.584 1.00 0.00 ATOM 348 C MET 45 25.500 10.707 24.488 1.00 0.00 ATOM 349 N LEU 46 24.369 10.370 23.880 1.00 0.00 ATOM 350 CA LEU 46 23.647 9.154 24.232 1.00 0.00 ATOM 351 CB LEU 46 22.523 8.892 23.228 1.00 0.00 ATOM 352 CG LEU 46 21.346 9.869 23.255 1.00 0.00 ATOM 353 CD1 LEU 46 20.375 9.576 22.121 1.00 0.00 ATOM 354 CD2 LEU 46 20.588 9.763 24.568 1.00 0.00 ATOM 355 O LEU 46 25.636 7.975 23.592 1.00 0.00 ATOM 356 C LEU 46 24.580 7.949 24.223 1.00 0.00 ATOM 357 N GLU 47 24.275 7.043 25.053 1.00 0.00 ATOM 358 CA GLU 47 25.102 5.857 25.152 1.00 0.00 ATOM 359 CB GLU 47 24.486 4.854 26.130 1.00 0.00 ATOM 360 CG GLU 47 24.553 5.283 27.586 1.00 0.00 ATOM 361 CD GLU 47 23.827 4.327 28.511 1.00 0.00 ATOM 362 OE1 GLU 47 23.207 3.369 28.005 1.00 0.00 ATOM 363 OE2 GLU 47 23.875 4.537 29.741 1.00 0.00 ATOM 364 O GLU 47 26.333 4.682 23.463 1.00 0.00 ATOM 365 C GLU 47 25.244 5.195 23.790 1.00 0.00 ATOM 366 N SER 48 24.177 5.182 22.986 1.00 0.00 ATOM 367 CA SER 48 24.268 4.505 21.684 1.00 0.00 ATOM 368 CB SER 48 22.988 4.575 20.919 1.00 0.00 ATOM 369 OG SER 48 23.143 4.055 19.614 1.00 0.00 ATOM 370 O SER 48 26.262 4.474 20.265 1.00 0.00 ATOM 371 C SER 48 25.391 5.151 20.843 1.00 0.00 ATOM 372 N GLU 49 25.368 6.476 20.757 1.00 0.00 ATOM 373 CA GLU 49 26.308 7.180 19.921 1.00 0.00 ATOM 374 CB GLU 49 25.881 8.653 19.808 1.00 0.00 ATOM 375 CG GLU 49 24.548 8.825 19.108 1.00 0.00 ATOM 376 CD GLU 49 24.069 10.288 19.019 1.00 0.00 ATOM 377 OE1 GLU 49 24.805 11.247 19.369 1.00 0.00 ATOM 378 OE2 GLU 49 22.950 10.472 18.548 1.00 0.00 ATOM 379 O GLU 49 28.675 6.871 19.684 1.00 0.00 ATOM 380 C GLU 49 27.732 7.060 20.453 1.00 0.00 ATOM 381 N ALA 50 27.800 7.141 21.739 1.00 0.00 ATOM 382 CA ALA 50 29.093 7.029 22.408 1.00 0.00 ATOM 383 CB ALA 50 28.889 7.272 23.922 1.00 0.00 ATOM 384 O ALA 50 30.996 5.604 21.933 1.00 0.00 ATOM 385 C ALA 50 29.762 5.665 22.126 1.00 0.00 ATOM 386 N ARG 51 28.965 4.632 22.100 1.00 0.00 ATOM 387 CA ARG 51 29.478 3.274 21.824 1.00 0.00 ATOM 388 CB ARG 51 28.436 2.194 21.965 1.00 0.00 ATOM 389 CG ARG 51 28.067 2.069 23.433 1.00 0.00 ATOM 390 CD ARG 51 27.192 0.910 23.772 1.00 0.00 ATOM 391 NE ARG 51 25.896 0.985 23.109 1.00 0.00 ATOM 392 CZ ARG 51 24.795 0.375 23.537 1.00 0.00 ATOM 393 NH1 ARG 51 24.814 -0.372 24.637 1.00 0.00 ATOM 394 NH2 ARG 51 23.670 0.507 22.852 1.00 0.00 ATOM 395 O ARG 51 30.754 2.245 20.083 1.00 0.00 ATOM 396 C ARG 51 30.033 3.196 20.407 1.00 0.00 ATOM 397 N GLU 52 29.566 4.025 19.481 1.00 0.00 ATOM 398 CA GLU 52 30.123 3.935 18.107 1.00 0.00 ATOM 399 CB GLU 52 28.960 4.043 17.064 1.00 0.00 ATOM 400 CG GLU 52 27.985 2.849 17.104 1.00 0.00 ATOM 401 CD GLU 52 28.629 1.483 16.784 1.00 0.00 ATOM 402 OE1 GLU 52 28.466 0.530 17.574 1.00 0.00 ATOM 403 OE2 GLU 52 29.245 1.385 15.719 1.00 0.00 ATOM 404 O GLU 52 32.125 4.656 17.044 1.00 0.00 ATOM 405 C GLU 52 31.405 4.755 18.029 1.00 0.00 ATOM 406 N LEU 53 31.672 5.529 19.143 1.00 0.00 ATOM 407 CA LEU 53 32.891 6.326 19.095 1.00 0.00 ATOM 408 CB LEU 53 32.931 7.274 20.299 1.00 0.00 ATOM 409 CG LEU 53 31.756 8.262 20.301 1.00 0.00 ATOM 410 CD1 LEU 53 31.840 9.191 21.517 1.00 0.00 ATOM 411 CD2 LEU 53 31.722 9.088 19.020 1.00 0.00 ATOM 412 O LEU 53 34.088 4.500 20.076 1.00 0.00 ATOM 413 C LEU 53 34.110 5.395 19.242 1.00 0.00 ATOM 414 N ALA 54 35.226 5.713 18.556 1.00 0.00 ATOM 415 CA ALA 54 36.490 5.092 18.858 1.00 0.00 ATOM 416 CB ALA 54 37.580 5.602 17.928 1.00 0.00 ATOM 417 O ALA 54 36.074 6.266 20.950 1.00 0.00 ATOM 418 C ALA 54 36.828 5.469 20.337 1.00 0.00 ATOM 419 N PRO 55 37.675 4.666 20.983 1.00 0.00 ATOM 420 CA PRO 55 38.063 4.899 22.369 1.00 0.00 ATOM 421 CB PRO 55 39.217 3.918 22.557 1.00 0.00 ATOM 422 CG PRO 55 38.814 2.773 21.662 1.00 0.00 ATOM 423 CD PRO 55 38.358 3.500 20.412 1.00 0.00 ATOM 424 O PRO 55 38.097 6.948 23.605 1.00 0.00 ATOM 425 C PRO 55 38.516 6.321 22.628 1.00 0.00 ATOM 426 N GLU 56 39.263 6.945 21.695 1.00 0.00 ATOM 427 CA GLU 56 39.725 8.307 21.839 1.00 0.00 ATOM 428 CB GLU 56 40.713 8.657 20.723 1.00 0.00 ATOM 429 CG GLU 56 42.053 7.949 20.836 1.00 0.00 ATOM 430 CD GLU 56 42.959 8.223 19.653 1.00 0.00 ATOM 431 OE1 GLU 56 42.510 8.909 18.708 1.00 0.00 ATOM 432 OE2 GLU 56 44.114 7.751 19.666 1.00 0.00 ATOM 433 O GLU 56 38.469 10.225 22.564 1.00 0.00 ATOM 434 C GLU 56 38.557 9.291 21.770 1.00 0.00 ATOM 435 N GLU 57 37.665 9.060 20.832 1.00 0.00 ATOM 436 CA GLU 57 36.496 9.959 20.706 1.00 0.00 ATOM 437 CB GLU 57 35.683 9.654 19.398 1.00 0.00 ATOM 438 CG GLU 57 36.496 9.861 18.134 1.00 0.00 ATOM 439 CD GLU 57 35.749 9.545 16.826 1.00 0.00 ATOM 440 OE1 GLU 57 35.108 8.479 16.710 1.00 0.00 ATOM 441 OE2 GLU 57 35.842 10.370 15.907 1.00 0.00 ATOM 442 O GLU 57 35.051 10.858 22.382 1.00 0.00 ATOM 443 C GLU 57 35.585 9.855 21.940 1.00 0.00 ATOM 444 N GLU 58 35.374 8.687 22.436 1.00 0.00 ATOM 445 CA GLU 58 34.542 8.525 23.612 1.00 0.00 ATOM 446 CB GLU 58 34.499 7.001 23.821 1.00 0.00 ATOM 447 CG GLU 58 33.644 6.537 24.912 1.00 0.00 ATOM 448 CD GLU 58 33.493 5.006 24.918 1.00 0.00 ATOM 449 OE1 GLU 58 34.287 4.284 24.244 1.00 0.00 ATOM 450 OE2 GLU 58 32.580 4.525 25.616 1.00 0.00 ATOM 451 O GLU 58 34.370 10.043 25.476 1.00 0.00 ATOM 452 C GLU 58 35.106 9.334 24.792 1.00 0.00 ATOM 453 N VAL 59 36.399 9.210 25.011 1.00 0.00 ATOM 454 CA VAL 59 37.055 9.936 26.087 1.00 0.00 ATOM 455 CB VAL 59 38.530 9.546 26.228 1.00 0.00 ATOM 456 CG1 VAL 59 39.197 10.392 27.311 1.00 0.00 ATOM 457 CG2 VAL 59 38.635 8.071 26.576 1.00 0.00 ATOM 458 O VAL 59 36.637 12.198 26.786 1.00 0.00 ATOM 459 C VAL 59 36.921 11.433 25.864 1.00 0.00 ATOM 460 N LYS 60 37.138 11.861 24.633 1.00 0.00 ATOM 461 CA LYS 60 37.015 13.264 24.253 1.00 0.00 ATOM 462 CB LYS 60 37.397 13.459 22.811 1.00 0.00 ATOM 463 CG LYS 60 37.314 14.892 22.314 1.00 0.00 ATOM 464 CD LYS 60 37.794 14.968 20.890 1.00 0.00 ATOM 465 CE LYS 60 37.243 16.171 20.200 1.00 0.00 ATOM 466 NZ LYS 60 37.386 15.947 18.744 1.00 0.00 ATOM 467 O LYS 60 35.443 14.883 25.056 1.00 0.00 ATOM 468 C LYS 60 35.608 13.792 24.518 1.00 0.00 ATOM 469 N LEU 61 34.597 13.011 24.143 1.00 0.00 ATOM 470 CA LEU 61 33.208 13.411 24.347 1.00 0.00 ATOM 471 CB LEU 61 32.363 11.992 24.303 1.00 0.00 ATOM 472 CG LEU 61 30.974 11.809 23.695 1.00 0.00 ATOM 473 CD1 LEU 61 31.081 11.775 22.179 1.00 0.00 ATOM 474 CD2 LEU 61 30.377 10.516 24.218 1.00 0.00 ATOM 475 O LEU 61 32.295 14.518 26.287 1.00 0.00 ATOM 476 C LEU 61 32.918 13.550 25.849 1.00 0.00 ATOM 477 N GLU 62 33.366 12.581 26.649 1.00 0.00 ATOM 478 CA GLU 62 33.157 12.669 28.090 1.00 0.00 ATOM 479 CB GLU 62 33.789 11.468 28.799 1.00 0.00 ATOM 480 CG GLU 62 33.552 11.437 30.300 1.00 0.00 ATOM 481 CD GLU 62 34.165 10.219 30.963 1.00 0.00 ATOM 482 OE1 GLU 62 34.763 9.393 30.246 1.00 0.00 ATOM 483 OE2 GLU 62 34.046 10.094 32.200 1.00 0.00 ATOM 484 O GLU 62 33.148 14.665 29.445 1.00 0.00 ATOM 485 C GLU 62 33.779 13.941 28.674 1.00 0.00 ATOM 486 N HIS 63 35.058 14.287 28.271 1.00 0.00 ATOM 487 CA HIS 63 35.711 15.476 28.799 1.00 0.00 ATOM 488 CB HIS 63 37.109 15.611 28.191 1.00 0.00 ATOM 489 CG HIS 63 37.829 16.856 28.603 1.00 0.00 ATOM 490 CD2 HIS 63 38.169 18.119 27.962 1.00 0.00 ATOM 491 ND1 HIS 63 38.372 17.021 29.858 1.00 0.00 ATOM 492 CE1 HIS 63 38.952 18.234 29.928 1.00 0.00 ATOM 493 NE2 HIS 63 38.833 18.897 28.794 1.00 0.00 ATOM 494 O HIS 63 34.690 17.588 29.293 1.00 0.00 ATOM 495 C HIS 63 34.892 16.708 28.438 1.00 0.00 ATOM 496 N HIS 64 34.522 16.778 27.189 1.00 0.00 ATOM 497 CA HIS 64 33.814 17.980 26.720 1.00 0.00 ATOM 498 CB HIS 64 33.742 17.897 25.171 1.00 0.00 ATOM 499 CG HIS 64 34.966 18.335 24.435 1.00 0.00 ATOM 500 CD2 HIS 64 35.112 19.117 23.338 1.00 0.00 ATOM 501 ND1 HIS 64 36.236 17.946 24.784 1.00 0.00 ATOM 502 CE1 HIS 64 37.116 18.449 23.938 1.00 0.00 ATOM 503 NE2 HIS 64 36.461 19.185 23.057 1.00 0.00 ATOM 504 O HIS 64 32.047 19.280 27.545 1.00 0.00 ATOM 505 C HIS 64 32.452 18.135 27.321 1.00 0.00 ATOM 506 N HIS 65 31.764 17.040 27.604 1.00 0.00 ATOM 507 CA HIS 65 30.510 17.132 28.338 1.00 0.00 ATOM 508 CB HIS 65 29.936 15.740 28.608 1.00 0.00 ATOM 509 CG HIS 65 28.622 15.756 29.322 1.00 0.00 ATOM 510 CD2 HIS 65 28.165 15.431 30.665 1.00 0.00 ATOM 511 ND1 HIS 65 27.449 16.149 28.713 1.00 0.00 ATOM 512 CE1 HIS 65 26.443 16.059 29.603 1.00 0.00 ATOM 513 NE2 HIS 65 26.865 15.627 30.775 1.00 0.00 ATOM 514 O HIS 65 29.908 18.814 29.983 1.00 0.00 ATOM 515 C HIS 65 30.668 17.877 29.681 1.00 0.00 ATOM 516 N HIS 66 31.670 17.492 30.472 1.00 0.00 ATOM 517 CA HIS 66 31.921 18.120 31.764 1.00 0.00 ATOM 518 CB HIS 66 33.059 17.402 32.495 1.00 0.00 ATOM 519 CG HIS 66 33.385 17.991 33.832 1.00 0.00 ATOM 520 CD2 HIS 66 34.478 18.779 34.380 1.00 0.00 ATOM 521 ND1 HIS 66 32.558 17.851 34.926 1.00 0.00 ATOM 522 CE1 HIS 66 33.115 18.483 35.976 1.00 0.00 ATOM 523 NE2 HIS 66 34.266 19.043 35.656 1.00 0.00 ATOM 524 O HIS 66 31.759 20.454 32.287 1.00 0.00 ATOM 525 C HIS 66 32.280 19.586 31.573 1.00 0.00 ATOM 526 N HIS 67 33.281 19.866 30.744 1.00 0.00 ATOM 527 CA HIS 67 33.640 21.261 30.551 1.00 0.00 ATOM 528 CB HIS 67 34.746 21.391 29.502 1.00 0.00 ATOM 529 CG HIS 67 35.324 22.767 29.400 1.00 0.00 ATOM 530 CD2 HIS 67 35.260 23.983 30.201 1.00 0.00 ATOM 531 ND1 HIS 67 36.141 23.157 28.362 1.00 0.00 ATOM 532 CE1 HIS 67 36.501 24.440 28.545 1.00 0.00 ATOM 533 NE2 HIS 67 35.975 24.942 29.647 1.00 0.00 ATOM 534 O HIS 67 32.342 23.280 30.401 1.00 0.00 ATOM 535 C HIS 67 32.472 22.098 30.059 1.00 0.00 ATOM 536 N HIS 68 31.588 21.468 29.301 1.00 0.00 ATOM 537 CA HIS 68 30.409 22.170 28.802 1.00 0.00 ATOM 538 CB HIS 68 29.593 21.314 27.832 1.00 0.00 ATOM 539 CG HIS 68 28.469 22.052 27.173 1.00 0.00 ATOM 540 CD2 HIS 68 28.281 22.740 25.904 1.00 0.00 ATOM 541 ND1 HIS 68 27.237 22.216 27.769 1.00 0.00 ATOM 542 CE1 HIS 68 26.441 22.917 26.941 1.00 0.00 ATOM 543 NE2 HIS 68 27.061 23.232 25.821 1.00 0.00 ATOM 544 O HIS 68 29.041 23.730 29.974 1.00 0.00 ATOM 545 C HIS 68 29.472 22.581 29.933 1.00 0.00 TER END