PFRMAT TS TARGET T0467 AUTHOR 4008-1775-0004 METHOD The SAM-T08 hand predictions use methods similar to SAM_T06 in CASP7. METHOD METHOD We start with a fully automated method (implemented as the SAM-T08-server): METHOD METHOD Use the SAM-T2K, SAM-T04, and SAM-T06 methods for finding homologs METHOD of the target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. These neural nets have been newly trained METHOD for CASP8 with an improved training protocol. The neural nets for METHOD the 3 different multiple sequence alignments are independently METHOD trained, so combining them should offer improved performance. METHOD METHOD We currently use 15 local-structure alphabets: METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD STR4 an attempt at an alphabet like STR2, but not requiring DSSP. METHOD This alphabet may be trying to make some irrelevant METHOD distinctions as well. 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 PB de Brevern's protein blocks METHOD METHOD N_NOTOR METHOD N_NOTOR2 METHOD O_NOTOR METHOD O_NOTOR2 alphabets based on the torsion angle of METHOD backbone hydrogen bonds METHOD METHOD N_SEP METHOD O_SEP alphabets based on the separation of donor and METHOD acceptor for backbone hydrogen bonds METHOD 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 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 METHOD We make 2-track HMMs with each alphabet with the amino-acid track METHOD having a weight of 1 and the local structure track having a weight METHOD of 0.1 (for backbone alphabets) or 0.3 (for burial alphabets). METHOD We use these HMMs to score a template library of about METHOD 14000 (t06), 16000 (t04), or 18000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. The target HMMs are used to score consensus METHOD sequences for the templates, to get a cheap approximation of METHOD profile-profile scoring, which does not yet work in the SAM package. METHOD METHOD We also used single-track HMMs to score not just the template METHOD library, but a non-redundant copy of the entire PDB. This scoring METHOD is done with real sequences, not consensus sequences. METHOD METHOD All the target HMMs use a new calibration method the provides more METHOD accurate E-values than before, and can be used even with METHOD local-structure alphabets that used to give us trouble (such as METHOD protein blocks). METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. Later this summer, we METHOD hope to be able to use multi-track template HMMs, but we have not METHOD had time to calibrate such models while keeping the code METHOD compatible with the old libraries, so the template libraries METHOD currently use old calibrations, with somewhat optimistic E-values. 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 settings on the SAM alignment software. 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. Two different neural net METHOD methods were used, and the results submitted separately. METHOD METHOD CB-CB constraints were extracted from the alignments and a METHOD combinatorial optimization done to choose a most-believable METHOD subset. METHOD METHOD Then the "undertaker" program (named because it originally METHOD optimized burial) is used to try to combine the alignments and the METHOD fragments into a consistent 3D model. No single alignment or METHOD parent template was used as a frozen core, though in many cases METHOD one had much more influence than the others. The alignment scores METHOD were not used by undertaker, but were used only to pick the set METHOD of alignments and fragments that undertaker would see. METHOD METHOD The cost functions used by undertaker rely heavily on the METHOD alignment constraints, on helix and strand constraints generated METHOD from the secondary-structure predictions, and on the neural-net METHOD predictions of local properties that undertaker can measure. METHOD The residue-residue contact predictions are also given to METHOD undertaker, but have less weight. There are also a number of METHOD built-in cost functions (breaks, clashes, burial, ...) that are METHOD included in the cost function. METHOD METHOD The automatic script runs the undertaker-optimized model through METHOD gromacs (to fix small clashes and breaks) and repacks the METHOD sidechains using Rosetta, but these post-undertaker optimizations METHOD are not included in the server predictions. They can be used in METHOD subsequent re-optimization. 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 We often do "polishing" runs, where all the current models are read in METHOD and optimization with undertaker's genetic algorithm is done with high METHOD crossover. METHOD METHOD Some improvements in undertaker include better communication with METHOD SCWRL for initial model building form alignments (now using the METHOD standard protocol that identical residues have fixed rotamers, rather METHOD than being reoptimized by SCWRL), more cost functions based on the METHOD neural net predictions, multiple constraint sets (for easier METHOD weighting of the importance of different constraints), and some new METHOD conformation-change operators (Backrub and BigBackrub). METHOD METHOD We also created model-quality-assessment methods for CASP8, which we METHOD are applying to the server predictions. We do two optimizations from the METHOD top 10 models with two of the MQA methods, and consider these models METHOD as possible alternatives to our natively-generated models. METHOD METHOD The SAM HMMs came up with only weak hits for this taret (best was METHOD 1c8cA with E-value 2.4), and those hits did not seem to lead to good METHOD full-length models, so I ended up working mainly with metaserver METHOD models. The BAKER-ROBETTA_TS1 and BAKER-ROBETTA_TS5 models turned METHOD out to be the ones I liked best and used most heavily in creating my METHOD models. METHOD METHOD Since T0467 and T0468 are quite similar sequences, I tried to find METHOD similar folds for both targets. Models 3 and 4 resulted from trying METHOD to use my current favorite T0468 model as a template for T0467. I did METHOD not get a good full-length model that way, but one part of it METHOD (K33-S70) looked good, so I tried pasting that into two of my favorite METHOD full-length models and reoptimizing. METHOD METHOD Model METHOD 1 T0467.try4-opt3.pdb # < try2-opt3.gromacs0 < MQAY2-opt3 < BAKER-ROBETTA_TS1 METHOD # this claims to be from BAKER-ROBETTA_TS1, but looks more METHOD # like the TS5 models. Perhaps there was crossover in METHOD # the try2 or try4 optimization METHOD METHOD 2 T0467.MQAY2-opt3.gromacs0.repack-nonPC.pdb # < BAKER-ROBETTA_TS1 METHOD # best rosetta energy METHOD METHOD 3 T0467.try9-opt3.pdb # < try7-opt3 < chimera-MQAY2-try6 METHOD chimera-MQAY2-try6: METHOD M1-Y32, D71-K97 from T0467.MQAY2-opt3.gromacs0.repack-nonPC.pdb METHOD K33-S70 from T0467.try6-opt3.pdb METHOD try6-opt3 < align(T0468.try2-opt3) METHOD METHOD 4 T0467.try10-opt3.pdb # < try8-opt3 < chimera-MQAY4-try6 METHOD chimera-MQAY4-try6: METHOD M1-Y32, D71-K97 from T0467.MQAY4-opt3.pdb METHOD K33-S70 from T0467.try6-opt3.pdb METHOD try6-opt3 < align(T0468.try2-opt3) METHOD METHOD 5 T0467.try5-opt3.pdb # < MQAC1-opt3 < SAM-T08-server_TS1 METHOD # this was probably the best of the SAM+undertaker models, METHOD # though it came via the SAM-T08 server. METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0467 model 3 Thu Jul 24 12:05:46 2008 MODEL 3 PARENT 1dcu_A 1q40_B 1nfi_E 2r19_A 1prn_A REMARK 7 REMARK 7 ALLPARENTS 1dcu_A 1q40_B 1nfi_E 2r19_A 1prn_A 2die_A 2o62_A REMARK 7 ALLPARENTS 2bsz_A 3b95_A 1n11_A 2qc9_A 1s70_B 1c8c_A 1xyi_A REMARK 7 ALLPARENTS 2z1c_A 1yli_A 1azp_A ATOM 1 N MET 1 9.689 37.341 35.227 1.00 0.00 ATOM 2 CA MET 1 11.152 37.238 35.146 1.00 0.00 ATOM 3 CB MET 1 11.531 36.541 33.839 1.00 0.00 ATOM 4 CG MET 1 11.180 37.290 32.554 1.00 0.00 ATOM 5 SD MET 1 11.802 36.479 31.045 1.00 0.00 ATOM 6 CE MET 1 10.574 35.210 30.940 1.00 0.00 ATOM 7 O MET 1 11.087 39.543 34.662 1.00 0.00 ATOM 8 C MET 1 11.751 38.632 35.134 1.00 0.00 ATOM 9 N ASP 2 12.991 38.708 35.605 1.00 0.00 ATOM 10 CA ASP 2 13.724 39.982 35.580 1.00 0.00 ATOM 11 CB ASP 2 14.514 40.170 36.878 1.00 0.00 ATOM 12 CG ASP 2 15.271 41.489 36.967 1.00 0.00 ATOM 13 OD1 ASP 2 15.278 42.214 36.001 1.00 0.00 ATOM 14 OD2 ASP 2 15.698 41.834 38.043 1.00 0.00 ATOM 15 O ASP 2 15.657 39.373 34.296 1.00 0.00 ATOM 16 C ASP 2 14.597 39.999 34.331 1.00 0.00 ATOM 17 N LEU 3 14.150 40.718 33.305 1.00 0.00 ATOM 18 CA LEU 3 14.908 40.810 32.054 1.00 0.00 ATOM 19 CB LEU 3 13.937 40.889 30.870 1.00 0.00 ATOM 20 CG LEU 3 14.596 41.271 29.533 1.00 0.00 ATOM 21 CD1 LEU 3 15.543 40.188 29.015 1.00 0.00 ATOM 22 CD2 LEU 3 13.552 41.592 28.468 1.00 0.00 ATOM 23 O LEU 3 15.326 43.158 32.313 1.00 0.00 ATOM 24 C LEU 3 15.793 42.052 32.036 1.00 0.00 ATOM 25 N ASN 4 17.068 41.868 31.712 1.00 0.00 ATOM 26 CA ASN 4 18.016 42.994 31.659 1.00 0.00 ATOM 27 CB ASN 4 19.076 42.887 32.741 1.00 0.00 ATOM 28 CG ASN 4 18.525 42.954 34.138 1.00 0.00 ATOM 29 ND2 ASN 4 18.645 41.860 34.845 1.00 0.00 ATOM 30 OD1 ASN 4 18.061 44.004 34.593 1.00 0.00 ATOM 31 O ASN 4 19.199 42.006 29.822 1.00 0.00 ATOM 32 C ASN 4 18.680 43.022 30.287 1.00 0.00 ATOM 33 N ARG 5 18.663 44.183 29.642 1.00 0.00 ATOM 34 CA ARG 5 19.252 44.304 28.373 1.00 0.00 ATOM 35 CB ARG 5 18.521 45.342 27.533 1.00 0.00 ATOM 36 CG ARG 5 19.026 45.479 26.106 1.00 0.00 ATOM 37 CD ARG 5 18.221 46.396 25.258 1.00 0.00 ATOM 38 NE ARG 5 18.733 46.574 23.908 1.00 0.00 ATOM 39 CZ ARG 5 18.083 47.220 22.923 1.00 0.00 ATOM 40 NH1 ARG 5 16.882 47.720 23.116 1.00 0.00 ATOM 41 NH2 ARG 5 18.674 47.321 21.744 1.00 0.00 ATOM 42 O ARG 5 21.198 45.682 28.730 1.00 0.00 ATOM 43 C ARG 5 20.767 44.552 28.492 1.00 0.00 ATOM 44 N MET 6 21.560 43.499 28.325 1.00 0.00 ATOM 45 CA MET 6 23.010 43.624 28.413 1.00 0.00 ATOM 46 CB MET 6 23.592 42.250 28.739 1.00 0.00 ATOM 47 CG MET 6 23.201 41.707 30.105 1.00 0.00 ATOM 48 SD MET 6 23.845 42.708 31.461 1.00 0.00 ATOM 49 CE MET 6 22.928 42.036 32.844 1.00 0.00 ATOM 50 O MET 6 24.786 44.546 27.056 1.00 0.00 ATOM 51 C MET 6 23.628 44.133 27.091 1.00 0.00 ATOM 52 N GLY 7 22.756 44.373 26.127 1.00 0.00 ATOM 53 CA GLY 7 23.140 44.877 24.801 1.00 0.00 ATOM 54 O GLY 7 20.907 44.292 24.102 1.00 0.00 ATOM 55 C GLY 7 21.993 44.792 23.804 1.00 0.00 ATOM 56 N LYS 8 22.241 45.415 22.649 1.00 0.00 ATOM 57 CA LYS 8 21.311 45.359 21.499 1.00 0.00 ATOM 58 CB LYS 8 22.325 45.765 20.184 1.00 0.00 ATOM 59 CG LYS 8 23.666 46.432 20.395 1.00 0.00 ATOM 60 CD LYS 8 23.645 47.938 20.440 1.00 0.00 ATOM 61 CE LYS 8 24.987 48.574 20.760 1.00 0.00 ATOM 62 NZ LYS 8 25.719 49.046 19.537 1.00 0.00 ATOM 63 O LYS 8 19.860 43.585 20.791 1.00 0.00 ATOM 64 C LYS 8 21.003 43.918 21.106 1.00 0.00 ATOM 65 N ASP 9 22.022 43.066 21.126 1.00 0.00 ATOM 66 CA ASP 9 21.845 41.647 20.767 1.00 0.00 ATOM 67 CB ASP 9 22.920 41.247 19.747 1.00 0.00 ATOM 68 CG ASP 9 22.691 41.897 18.373 1.00 0.00 ATOM 69 OD1 ASP 9 21.535 42.258 18.086 1.00 0.00 ATOM 70 OD2 ASP 9 23.653 42.054 17.583 1.00 0.00 ATOM 71 O ASP 9 21.242 39.645 21.970 1.00 0.00 ATOM 72 C ASP 9 21.901 40.685 21.972 1.00 0.00 ATOM 73 N GLU 10 22.456 41.167 23.083 1.00 0.00 ATOM 74 CA GLU 10 22.724 40.338 24.265 1.00 0.00 ATOM 75 CB GLU 10 24.165 40.505 24.745 1.00 0.00 ATOM 76 CG GLU 10 24.520 39.673 25.970 1.00 0.00 ATOM 77 CD GLU 10 25.947 39.896 26.388 1.00 0.00 ATOM 78 OE1 GLU 10 26.619 40.670 25.749 1.00 0.00 ATOM 79 OE2 GLU 10 26.332 39.382 27.411 1.00 0.00 ATOM 80 O GLU 10 21.668 41.841 25.785 1.00 0.00 ATOM 81 C GLU 10 21.744 40.691 25.353 1.00 0.00 ATOM 82 N TYR 11 20.984 39.700 25.806 1.00 0.00 ATOM 83 CA TYR 11 20.001 39.922 26.860 1.00 0.00 ATOM 84 CB TYR 11 18.577 39.901 26.303 1.00 0.00 ATOM 85 CG TYR 11 18.286 41.014 25.321 1.00 0.00 ATOM 86 CD1 TYR 11 18.736 40.943 24.010 1.00 0.00 ATOM 87 CD2 TYR 11 17.562 42.131 25.708 1.00 0.00 ATOM 88 CE1 TYR 11 18.475 41.956 23.109 1.00 0.00 ATOM 89 CE2 TYR 11 17.294 43.151 24.815 1.00 0.00 ATOM 90 CZ TYR 11 17.752 43.061 23.517 1.00 0.00 ATOM 91 OH TYR 11 17.485 44.074 22.624 1.00 0.00 ATOM 92 O TYR 11 20.559 37.750 27.698 1.00 0.00 ATOM 93 C TYR 11 20.204 38.898 27.965 1.00 0.00 ATOM 94 N TYR 12 19.994 39.298 29.234 1.00 0.00 ATOM 95 CA TYR 12 20.196 38.384 30.342 1.00 0.00 ATOM 96 CB TYR 12 21.445 38.761 31.140 1.00 0.00 ATOM 97 CG TYR 12 21.685 37.890 32.353 1.00 0.00 ATOM 98 CD1 TYR 12 22.189 36.604 32.219 1.00 0.00 ATOM 99 CD2 TYR 12 21.407 38.356 33.629 1.00 0.00 ATOM 100 CE1 TYR 12 22.409 35.804 33.323 1.00 0.00 ATOM 101 CE2 TYR 12 21.623 37.565 34.741 1.00 0.00 ATOM 102 CZ TYR 12 22.125 36.289 34.585 1.00 0.00 ATOM 103 OH TYR 12 22.343 35.498 35.688 1.00 0.00 ATOM 104 O TYR 12 18.477 39.437 31.643 1.00 0.00 ATOM 105 C TYR 12 18.983 38.380 31.266 1.00 0.00 ATOM 106 N VAL 13 18.518 37.188 31.631 1.00 0.00 ATOM 107 CA VAL 13 17.368 37.067 32.511 1.00 0.00 ATOM 108 CB VAL 13 16.244 36.294 31.809 1.00 0.00 ATOM 109 CG1 VAL 13 15.046 36.153 32.744 1.00 0.00 ATOM 110 CG2 VAL 13 15.788 36.995 30.525 1.00 0.00 ATOM 111 O VAL 13 18.343 35.284 33.792 1.00 0.00 ATOM 112 C VAL 13 17.775 36.376 33.817 1.00 0.00 ATOM 113 N GLN 14 17.248 36.925 34.907 1.00 0.00 ATOM 114 CA GLN 14 17.301 36.220 36.186 1.00 0.00 ATOM 115 CB GLN 14 18.222 36.967 37.182 1.00 0.00 ATOM 116 CG GLN 14 17.493 38.013 38.008 1.00 0.00 ATOM 117 CD GLN 14 18.359 38.590 39.107 1.00 0.00 ATOM 118 OE1 GLN 14 19.243 39.405 38.855 1.00 0.00 ATOM 119 NE2 GLN 14 18.118 38.156 40.341 1.00 0.00 ATOM 120 O GLN 14 15.034 36.841 36.663 1.00 0.00 ATOM 121 C GLN 14 15.893 35.960 36.707 1.00 0.00 ATOM 122 N ILE 15 15.657 34.749 37.203 1.00 0.00 ATOM 123 CA ILE 15 14.334 34.384 37.735 1.00 0.00 ATOM 124 CB ILE 15 13.501 33.538 36.754 1.00 0.00 ATOM 125 CG1 ILE 15 13.198 34.336 35.484 1.00 0.00 ATOM 126 CG2 ILE 15 12.212 33.071 37.415 1.00 0.00 ATOM 127 CD1 ILE 15 12.568 33.516 34.384 1.00 0.00 ATOM 128 O ILE 15 15.269 32.569 38.984 1.00 0.00 ATOM 129 C ILE 15 14.550 33.562 39.002 1.00 0.00 ATOM 130 N THR 16 13.958 34.005 40.094 1.00 0.00 ATOM 131 CA THR 16 14.073 33.280 41.356 1.00 0.00 ATOM 132 CB THR 16 14.944 34.108 42.377 1.00 0.00 ATOM 133 CG2 THR 16 16.253 34.680 41.751 1.00 0.00 ATOM 134 OG1 THR 16 14.180 35.259 42.766 1.00 0.00 ATOM 135 O THR 16 11.767 33.505 41.881 1.00 0.00 ATOM 136 C THR 16 12.722 32.748 41.701 1.00 0.00 ATOM 137 N VAL 17 12.623 31.426 41.800 1.00 0.00 ATOM 138 CA VAL 17 11.356 30.786 42.134 1.00 0.00 ATOM 139 CB VAL 17 10.930 29.813 41.018 1.00 0.00 ATOM 140 CG1 VAL 17 9.596 29.164 41.358 1.00 0.00 ATOM 141 CG2 VAL 17 10.845 30.538 39.684 1.00 0.00 ATOM 142 O VAL 17 12.034 28.961 43.561 1.00 0.00 ATOM 143 C VAL 17 11.515 30.076 43.497 1.00 0.00 ATOM 144 N ASP 18 11.067 30.726 44.566 1.00 0.00 ATOM 145 CA ASP 18 11.166 30.143 45.900 1.00 0.00 ATOM 146 CB ASP 18 10.208 28.960 46.051 1.00 0.00 ATOM 147 CG ASP 18 8.739 29.310 45.849 1.00 0.00 ATOM 148 OD1 ASP 18 8.285 30.252 46.452 1.00 0.00 ATOM 149 OD2 ASP 18 8.126 28.735 44.981 1.00 0.00 ATOM 150 O ASP 18 12.861 28.591 46.591 1.00 0.00 ATOM 151 C ASP 18 12.604 29.731 46.199 1.00 0.00 ATOM 152 N GLY 19 13.539 30.656 46.014 1.00 0.00 ATOM 153 CA GLY 19 14.936 30.372 46.270 1.00 0.00 ATOM 154 O GLY 19 16.914 29.451 45.203 1.00 0.00 ATOM 155 C GLY 19 15.691 29.584 45.149 1.00 0.00 ATOM 156 N LYS 20 14.955 29.084 44.161 1.00 0.00 ATOM 157 CA LYS 20 15.565 28.337 43.067 1.00 0.00 ATOM 158 CB LYS 20 14.588 27.317 42.436 1.00 0.00 ATOM 159 CG LYS 20 13.983 26.351 43.377 1.00 0.00 ATOM 160 CD LYS 20 14.948 25.486 43.997 1.00 0.00 ATOM 161 CE LYS 20 14.150 24.312 44.603 1.00 0.00 ATOM 162 NZ LYS 20 15.112 23.363 45.193 1.00 0.00 ATOM 163 O LYS 20 15.441 30.347 41.778 1.00 0.00 ATOM 164 C LYS 20 16.098 29.354 42.065 1.00 0.00 ATOM 165 N GLU 21 17.173 28.944 41.392 1.00 0.00 ATOM 166 CA GLU 21 17.846 29.888 40.492 1.00 0.00 ATOM 167 CB GLU 21 19.282 30.224 41.014 1.00 0.00 ATOM 168 CG GLU 21 19.341 31.000 42.371 1.00 0.00 ATOM 169 CD GLU 21 20.671 30.838 43.048 1.00 0.00 ATOM 170 OE1 GLU 21 21.585 30.240 42.429 1.00 0.00 ATOM 171 OE2 GLU 21 20.806 31.326 44.193 1.00 0.00 ATOM 172 O GLU 21 18.289 28.487 38.595 1.00 0.00 ATOM 173 C GLU 21 17.723 29.494 39.024 1.00 0.00 ATOM 174 N VAL 22 16.986 30.289 38.255 1.00 0.00 ATOM 175 CA VAL 22 16.800 30.009 36.831 1.00 0.00 ATOM 176 CB VAL 22 15.309 30.037 36.486 1.00 0.00 ATOM 177 CG1 VAL 22 15.156 29.964 34.968 1.00 0.00 ATOM 178 CG2 VAL 22 14.637 28.839 37.146 1.00 0.00 ATOM 179 O VAL 22 16.890 32.338 36.271 1.00 0.00 ATOM 180 C VAL 22 17.381 31.220 36.114 1.00 0.00 ATOM 181 N HIS 23 18.427 30.996 35.326 1.00 0.00 ATOM 182 CA HIS 23 19.063 32.081 34.587 1.00 0.00 ATOM 183 CB HIS 23 20.489 32.303 35.101 1.00 0.00 ATOM 184 CG HIS 23 20.568 32.547 36.575 1.00 0.00 ATOM 185 CD2 HIS 23 20.817 31.706 37.606 1.00 0.00 ATOM 186 ND1 HIS 23 20.375 33.793 37.134 1.00 0.00 ATOM 187 CE1 HIS 23 20.503 33.708 38.446 1.00 0.00 ATOM 188 NE2 HIS 23 20.771 32.453 38.757 1.00 0.00 ATOM 189 O HIS 23 19.179 30.634 32.677 1.00 0.00 ATOM 190 C HIS 23 19.029 31.784 33.092 1.00 0.00 ATOM 191 N SER 24 18.831 32.821 32.285 1.00 0.00 ATOM 192 CA SER 24 18.784 32.650 30.864 1.00 0.00 ATOM 193 CB SER 24 17.383 33.002 30.412 1.00 0.00 ATOM 194 OG SER 24 17.244 32.746 29.029 1.00 0.00 ATOM 195 O SER 24 19.670 34.845 30.547 1.00 0.00 ATOM 196 C SER 24 19.603 33.687 30.133 1.00 0.00 ATOM 197 N LYS 25 20.233 33.276 29.036 1.00 0.00 ATOM 198 CA LYS 25 21.052 34.191 28.248 1.00 0.00 ATOM 199 CB LYS 25 22.547 33.965 28.483 1.00 0.00 ATOM 200 CG LYS 25 23.454 34.941 27.744 1.00 0.00 ATOM 201 CD LYS 25 24.917 34.697 28.080 1.00 0.00 ATOM 202 CE LYS 25 25.824 35.665 27.335 1.00 0.00 ATOM 203 NZ LYS 25 27.254 35.477 27.698 1.00 0.00 ATOM 204 O LYS 25 20.588 32.913 26.268 1.00 0.00 ATOM 205 C LYS 25 20.682 34.033 26.774 1.00 0.00 ATOM 206 N ALA 26 20.477 35.153 26.089 1.00 0.00 ATOM 207 CA ALA 26 20.119 35.119 24.675 1.00 0.00 ATOM 208 CB ALA 26 18.609 35.318 24.463 1.00 0.00 ATOM 209 O ALA 26 20.789 37.346 24.154 1.00 0.00 ATOM 210 C ALA 26 20.866 36.151 23.875 1.00 0.00 ATOM 211 N ASP 27 21.603 35.691 22.868 1.00 0.00 ATOM 212 CA ASP 27 22.372 36.595 22.021 1.00 0.00 ATOM 213 CB ASP 27 23.833 36.135 22.083 1.00 0.00 ATOM 214 CG ASP 27 24.807 37.083 21.408 1.00 0.00 ATOM 215 OD1 ASP 27 24.364 38.122 20.877 1.00 0.00 ATOM 216 OD2 ASP 27 26.044 36.809 21.429 1.00 0.00 ATOM 217 O ASP 27 21.958 35.448 19.955 1.00 0.00 ATOM 218 C ASP 27 21.737 36.446 20.643 1.00 0.00 ATOM 219 N ASN 28 20.949 37.438 20.242 1.00 0.00 ATOM 220 CA ASN 28 20.309 37.395 18.968 1.00 0.00 ATOM 221 CB ASN 28 18.955 38.082 19.004 1.00 0.00 ATOM 222 CG ASN 28 18.210 38.017 17.700 1.00 0.00 ATOM 223 ND2 ASN 28 16.919 38.218 17.778 1.00 0.00 ATOM 224 OD1 ASN 28 18.805 37.860 16.627 1.00 0.00 ATOM 225 O ASN 28 21.283 39.283 17.851 1.00 0.00 ATOM 226 C ASN 28 21.214 38.058 17.930 1.00 0.00 ATOM 227 N GLY 29 21.756 37.239 17.039 1.00 0.00 ATOM 228 CA GLY 29 22.543 37.686 15.874 1.00 0.00 ATOM 229 O GLY 29 20.472 38.074 14.725 1.00 0.00 ATOM 230 C GLY 29 21.701 38.072 14.661 1.00 0.00 ATOM 231 N GLN 30 22.366 38.394 13.556 1.00 0.00 ATOM 232 CA GLN 30 21.677 38.762 12.381 1.00 0.00 ATOM 233 CB GLN 30 22.680 39.326 11.371 1.00 0.00 ATOM 234 CG GLN 30 22.048 39.852 10.093 1.00 0.00 ATOM 235 CD GLN 30 23.074 40.433 9.138 1.00 0.00 ATOM 236 OE1 GLN 30 24.281 40.367 9.387 1.00 0.00 ATOM 237 NE2 GLN 30 22.598 41.009 8.040 1.00 0.00 ATOM 238 O GLN 30 19.677 37.598 11.745 1.00 0.00 ATOM 239 C GLN 30 20.903 37.557 11.856 1.00 0.00 ATOM 240 N LYS 31 21.621 36.485 11.533 1.00 0.00 ATOM 241 CA LYS 31 20.989 35.292 11.030 1.00 0.00 ATOM 242 CB LYS 31 21.559 35.455 9.400 1.00 0.00 ATOM 243 CG LYS 31 21.799 36.862 8.847 1.00 0.00 ATOM 244 CD LYS 31 22.479 36.836 7.477 1.00 0.00 ATOM 245 CE LYS 31 21.587 36.225 6.391 1.00 0.00 ATOM 246 NZ LYS 31 20.545 37.181 6.018 1.00 0.00 ATOM 247 O LYS 31 20.884 32.954 11.567 1.00 0.00 ATOM 248 C LYS 31 21.128 34.093 11.967 1.00 0.00 ATOM 249 N TYR 32 21.517 34.353 13.211 1.00 0.00 ATOM 250 CA TYR 32 21.681 33.284 14.191 1.00 0.00 ATOM 251 CB TYR 32 23.081 32.692 14.059 1.00 0.00 ATOM 252 CG TYR 32 24.254 33.616 14.293 1.00 0.00 ATOM 253 CD1 TYR 32 24.847 33.737 15.543 1.00 0.00 ATOM 254 CD2 TYR 32 24.794 34.355 13.230 1.00 0.00 ATOM 255 CE1 TYR 32 25.932 34.549 15.730 1.00 0.00 ATOM 256 CE2 TYR 32 25.886 35.172 13.416 1.00 0.00 ATOM 257 CZ TYR 32 26.437 35.257 14.693 1.00 0.00 ATOM 258 OH TYR 32 27.521 36.064 14.903 1.00 0.00 ATOM 259 O TYR 32 21.306 34.998 15.789 1.00 0.00 ATOM 260 C TYR 32 21.366 33.789 15.554 1.00 0.00 ATOM 261 N LYS 33 21.161 32.863 16.486 1.00 0.00 ATOM 262 CA LYS 33 20.849 33.232 17.861 1.00 0.00 ATOM 263 CB LYS 33 19.349 33.457 18.020 1.00 0.00 ATOM 264 CG LYS 33 18.924 33.707 19.459 1.00 0.00 ATOM 265 CD LYS 33 17.438 34.017 19.589 1.00 0.00 ATOM 266 CE LYS 33 17.086 34.340 21.041 1.00 0.00 ATOM 267 NZ LYS 33 15.659 34.726 21.234 1.00 0.00 ATOM 268 O LYS 33 21.001 30.945 18.521 1.00 0.00 ATOM 269 C LYS 33 21.298 32.114 18.766 1.00 0.00 ATOM 270 N ASP 34 22.023 32.467 19.824 1.00 0.00 ATOM 271 CA ASP 34 22.511 31.472 20.771 1.00 0.00 ATOM 272 CB ASP 34 24.041 31.349 20.657 1.00 0.00 ATOM 273 CG ASP 34 24.502 30.608 19.410 1.00 0.00 ATOM 274 OD1 ASP 34 23.663 30.165 18.588 1.00 0.00 ATOM 275 OD2 ASP 34 25.732 30.469 19.250 1.00 0.00 ATOM 276 O ASP 34 22.247 32.844 22.721 1.00 0.00 ATOM 277 C ASP 34 21.894 31.829 22.120 1.00 0.00 ATOM 278 N TYR 35 20.975 30.994 22.593 1.00 0.00 ATOM 279 CA TYR 35 20.323 31.236 23.873 1.00 0.00 ATOM 280 CB TYR 35 18.944 31.922 23.663 1.00 0.00 ATOM 281 CG TYR 35 17.914 30.993 23.018 1.00 0.00 ATOM 282 CD1 TYR 35 17.095 30.119 23.810 1.00 0.00 ATOM 283 CD2 TYR 35 17.783 30.926 21.639 1.00 0.00 ATOM 284 CE1 TYR 35 16.181 29.233 23.213 1.00 0.00 ATOM 285 CE2 TYR 35 16.874 30.044 21.042 1.00 0.00 ATOM 286 CZ TYR 35 16.067 29.205 21.839 1.00 0.00 ATOM 287 OH TYR 35 15.183 28.330 21.218 1.00 0.00 ATOM 288 O TYR 35 20.123 28.869 24.210 1.00 0.00 ATOM 289 C TYR 35 20.343 29.970 24.719 1.00 0.00 ATOM 290 N GLU 36 20.626 30.129 26.006 1.00 0.00 ATOM 291 CA GLU 36 20.810 28.989 26.897 1.00 0.00 ATOM 292 CB GLU 36 22.286 28.737 27.205 1.00 0.00 ATOM 293 CG GLU 36 22.964 29.870 27.961 1.00 0.00 ATOM 294 CD GLU 36 24.461 29.667 28.092 1.00 0.00 ATOM 295 OE1 GLU 36 24.975 28.660 27.559 1.00 0.00 ATOM 296 OE2 GLU 36 25.122 30.516 28.726 1.00 0.00 ATOM 297 O GLU 36 19.843 30.391 28.586 1.00 0.00 ATOM 298 C GLU 36 20.102 29.243 28.222 1.00 0.00 ATOM 299 N TYR 37 19.789 28.170 28.943 1.00 0.00 ATOM 300 CA TYR 37 19.113 28.295 30.228 1.00 0.00 ATOM 301 CB TYR 37 17.608 27.947 30.152 1.00 0.00 ATOM 302 CG TYR 37 16.838 28.573 29.009 1.00 0.00 ATOM 303 CD1 TYR 37 16.759 27.941 27.770 1.00 0.00 ATOM 304 CD2 TYR 37 16.178 29.791 29.171 1.00 0.00 ATOM 305 CE1 TYR 37 16.031 28.502 26.714 1.00 0.00 ATOM 306 CE2 TYR 37 15.451 30.365 28.123 1.00 0.00 ATOM 307 CZ TYR 37 15.382 29.710 26.895 1.00 0.00 ATOM 308 OH TYR 37 14.663 30.259 25.857 1.00 0.00 ATOM 309 O TYR 37 19.990 26.220 31.053 1.00 0.00 ATOM 310 C TYR 37 19.815 27.421 31.263 1.00 0.00 ATOM 311 N LYS 38 20.212 28.024 32.378 1.00 0.00 ATOM 312 CA LYS 38 20.889 27.285 33.431 1.00 0.00 ATOM 313 CB LYS 38 22.149 28.017 33.896 1.00 0.00 ATOM 314 CG LYS 38 23.244 28.094 32.844 1.00 0.00 ATOM 315 CD LYS 38 24.473 28.814 33.377 1.00 0.00 ATOM 316 CE LYS 38 25.580 28.860 32.337 1.00 0.00 ATOM 317 NZ LYS 38 26.826 29.472 32.877 1.00 0.00 ATOM 318 O LYS 38 19.569 28.256 35.236 1.00 0.00 ATOM 319 C LYS 38 19.884 27.222 34.644 1.00 0.00 ATOM 320 N LEU 39 19.410 26.027 34.980 1.00 0.00 ATOM 321 CA LEU 39 18.478 25.868 36.090 1.00 0.00 ATOM 322 CB LEU 39 17.207 25.160 35.597 1.00 0.00 ATOM 323 CG LEU 39 16.177 24.840 36.686 1.00 0.00 ATOM 324 CD1 LEU 39 15.682 26.126 37.331 1.00 0.00 ATOM 325 CD2 LEU 39 15.017 24.063 36.075 1.00 0.00 ATOM 326 O LEU 39 19.499 23.949 37.103 1.00 0.00 ATOM 327 C LEU 39 19.166 25.128 37.231 1.00 0.00 ATOM 328 N THR 40 19.378 25.820 38.347 1.00 0.00 ATOM 329 CA THR 40 20.026 25.213 39.497 1.00 0.00 ATOM 330 CB THR 40 20.745 26.260 40.373 1.00 0.00 ATOM 331 CG2 THR 40 21.850 26.944 39.583 1.00 0.00 ATOM 332 OG1 THR 40 19.803 27.248 40.807 1.00 0.00 ATOM 333 O THR 40 17.946 25.260 40.693 1.00 0.00 ATOM 334 C THR 40 18.989 24.647 40.462 1.00 0.00 ATOM 335 N GLY 41 19.279 23.478 41.026 1.00 0.00 ATOM 336 CA GLY 41 18.364 22.848 41.964 1.00 0.00 ATOM 337 O GLY 41 19.993 21.177 42.588 1.00 0.00 ATOM 338 C GLY 41 19.081 21.912 42.967 1.00 0.00 ATOM 339 N PHE 42 18.661 21.949 44.227 1.00 0.00 ATOM 340 CA PHE 42 19.267 21.106 45.251 1.00 0.00 ATOM 341 CB PHE 42 18.776 21.547 46.629 1.00 0.00 ATOM 342 CG PHE 42 19.427 20.815 47.768 1.00 0.00 ATOM 343 CD1 PHE 42 20.702 21.152 48.189 1.00 0.00 ATOM 344 CD2 PHE 42 18.763 19.789 48.420 1.00 0.00 ATOM 345 CE1 PHE 42 21.301 20.476 49.236 1.00 0.00 ATOM 346 CE2 PHE 42 19.362 19.114 49.467 1.00 0.00 ATOM 347 CZ PHE 42 20.625 19.455 49.876 1.00 0.00 ATOM 348 O PHE 42 17.710 19.337 44.814 1.00 0.00 ATOM 349 C PHE 42 18.871 19.646 45.081 1.00 0.00 ATOM 350 N ASP 43 19.856 18.741 45.224 1.00 0.00 ATOM 351 CA ASP 43 19.587 17.315 45.086 1.00 0.00 ATOM 352 CB ASP 43 20.099 16.704 43.784 1.00 0.00 ATOM 353 CG ASP 43 21.621 16.650 43.673 1.00 0.00 ATOM 354 OD1 ASP 43 22.331 16.779 44.697 1.00 0.00 ATOM 355 OD2 ASP 43 22.110 16.460 42.533 1.00 0.00 ATOM 356 O ASP 43 20.458 17.254 47.320 1.00 0.00 ATOM 357 C ASP 43 20.043 16.608 46.357 1.00 0.00 ATOM 358 N LYS 44 19.967 15.280 46.360 1.00 0.00 ATOM 359 CA LYS 44 20.378 14.502 47.520 1.00 0.00 ATOM 360 CB LYS 44 19.826 13.079 47.443 1.00 0.00 ATOM 361 CG LYS 44 18.309 12.997 47.513 1.00 0.00 ATOM 362 CD LYS 44 17.831 11.554 47.492 1.00 0.00 ATOM 363 CE LYS 44 16.315 11.473 47.541 1.00 0.00 ATOM 364 NZ LYS 44 15.831 10.067 47.545 1.00 0.00 ATOM 365 O LYS 44 22.629 15.099 46.947 1.00 0.00 ATOM 366 C LYS 44 21.892 14.438 47.680 1.00 0.00 ATOM 367 N ASP 45 22.354 13.641 48.637 1.00 0.00 ATOM 368 CA ASP 45 23.785 13.500 48.878 1.00 0.00 ATOM 369 CB ASP 45 24.397 12.457 47.965 1.00 0.00 ATOM 370 CG ASP 45 23.918 11.051 48.282 1.00 0.00 ATOM 371 OD1 ASP 45 23.033 10.846 49.154 1.00 0.00 ATOM 372 OD2 ASP 45 24.417 10.122 47.623 1.00 0.00 ATOM 373 O ASP 45 25.639 15.009 49.082 1.00 0.00 ATOM 374 C ASP 45 24.434 14.827 49.255 1.00 0.00 ATOM 375 N GLY 46 23.633 15.754 49.771 1.00 0.00 ATOM 376 CA GLY 46 24.146 17.056 50.170 1.00 0.00 ATOM 377 O GLY 46 25.712 18.696 49.388 1.00 0.00 ATOM 378 C GLY 46 24.822 17.898 49.093 1.00 0.00 ATOM 379 N LYS 47 24.398 17.721 47.846 1.00 0.00 ATOM 380 CA LYS 47 24.972 18.475 46.740 1.00 0.00 ATOM 381 CB LYS 47 25.823 17.516 45.892 1.00 0.00 ATOM 382 CG LYS 47 25.051 16.408 45.248 1.00 0.00 ATOM 383 CD LYS 47 25.982 15.432 44.526 1.00 0.00 ATOM 384 CE LYS 47 25.211 14.467 43.670 1.00 0.00 ATOM 385 NZ LYS 47 26.113 13.495 42.948 1.00 0.00 ATOM 386 O LYS 47 22.697 18.951 46.147 1.00 0.00 ATOM 387 C LYS 47 23.890 19.150 45.908 1.00 0.00 ATOM 388 N GLU 48 24.304 19.950 44.930 1.00 0.00 ATOM 389 CA GLU 48 23.355 20.646 44.070 1.00 0.00 ATOM 390 CB GLU 48 23.487 22.172 44.189 1.00 0.00 ATOM 391 CG GLU 48 23.047 22.706 45.570 1.00 0.00 ATOM 392 CD GLU 48 23.023 24.230 45.631 1.00 0.00 ATOM 393 OE1 GLU 48 24.071 24.818 45.967 1.00 0.00 ATOM 394 OE2 GLU 48 21.964 24.812 45.305 1.00 0.00 ATOM 395 O GLU 48 24.747 19.863 42.280 1.00 0.00 ATOM 396 C GLU 48 23.635 20.270 42.618 1.00 0.00 ATOM 397 N LYS 49 22.626 20.407 41.763 1.00 0.00 ATOM 398 CA LYS 49 22.784 20.081 40.354 1.00 0.00 ATOM 399 CB LYS 49 22.123 18.720 40.053 1.00 0.00 ATOM 400 CG LYS 49 20.632 18.667 40.317 1.00 0.00 ATOM 401 CD LYS 49 19.992 17.274 40.170 1.00 0.00 ATOM 402 CE LYS 49 18.578 17.222 40.749 1.00 0.00 ATOM 403 NZ LYS 49 17.674 16.212 40.124 1.00 0.00 ATOM 404 O LYS 49 21.223 21.793 39.731 1.00 0.00 ATOM 405 C LYS 49 22.255 21.185 39.445 1.00 0.00 ATOM 406 N GLU 50 22.961 21.442 38.348 1.00 0.00 ATOM 407 CA GLU 50 22.548 22.473 37.409 1.00 0.00 ATOM 408 CB GLU 50 23.642 23.536 37.289 1.00 0.00 ATOM 409 CG GLU 50 23.297 24.681 36.349 1.00 0.00 ATOM 410 CD GLU 50 24.386 25.731 36.287 1.00 0.00 ATOM 411 OE1 GLU 50 25.439 25.534 36.929 1.00 0.00 ATOM 412 OE2 GLU 50 24.189 26.751 35.593 1.00 0.00 ATOM 413 O GLU 50 23.087 21.152 35.484 1.00 0.00 ATOM 414 C GLU 50 22.267 21.890 36.032 1.00 0.00 ATOM 415 N LEU 51 21.109 22.223 35.472 1.00 0.00 ATOM 416 CA LEU 51 20.736 21.725 34.153 1.00 0.00 ATOM 417 CB LEU 51 19.311 21.186 34.141 1.00 0.00 ATOM 418 CG LEU 51 19.005 20.083 35.151 1.00 0.00 ATOM 419 CD1 LEU 51 17.535 19.636 34.999 1.00 0.00 ATOM 420 CD2 LEU 51 20.011 18.930 34.992 1.00 0.00 ATOM 421 O LEU 51 20.213 23.893 33.275 1.00 0.00 ATOM 422 C LEU 51 20.917 22.887 33.187 1.00 0.00 ATOM 423 N GLU 52 21.861 22.747 32.261 1.00 0.00 ATOM 424 CA GLU 52 22.123 23.798 31.284 1.00 0.00 ATOM 425 CB GLU 52 23.603 24.222 31.345 1.00 0.00 ATOM 426 CG GLU 52 24.066 24.646 32.732 1.00 0.00 ATOM 427 CD GLU 52 25.538 25.017 32.788 1.00 0.00 ATOM 428 OE1 GLU 52 25.989 25.460 33.863 1.00 0.00 ATOM 429 OE2 GLU 52 26.244 24.869 31.768 1.00 0.00 ATOM 430 O GLU 52 22.179 22.320 29.395 1.00 0.00 ATOM 431 C GLU 52 21.684 23.328 29.901 1.00 0.00 ATOM 432 N PHE 53 20.757 24.060 29.290 1.00 0.00 ATOM 433 CA PHE 53 20.267 23.704 27.967 1.00 0.00 ATOM 434 CB PHE 53 18.750 23.740 27.973 1.00 0.00 ATOM 435 CG PHE 53 18.164 23.425 26.636 1.00 0.00 ATOM 436 CD1 PHE 53 18.106 22.109 26.181 1.00 0.00 ATOM 437 CD2 PHE 53 17.673 24.443 25.824 1.00 0.00 ATOM 438 CE1 PHE 53 17.563 21.810 24.932 1.00 0.00 ATOM 439 CE2 PHE 53 17.128 24.161 24.571 1.00 0.00 ATOM 440 CZ PHE 53 17.074 22.838 24.126 1.00 0.00 ATOM 441 O PHE 53 20.461 26.005 27.323 1.00 0.00 ATOM 442 C PHE 53 20.668 24.829 27.022 1.00 0.00 ATOM 443 N THR 54 21.242 24.467 25.879 1.00 0.00 ATOM 444 CA THR 54 21.664 25.460 24.898 1.00 0.00 ATOM 445 CB THR 54 23.180 25.376 24.636 1.00 0.00 ATOM 446 CG2 THR 54 23.602 26.421 23.617 1.00 0.00 ATOM 447 OG1 THR 54 23.891 25.606 25.859 1.00 0.00 ATOM 448 O THR 54 21.017 24.190 22.972 1.00 0.00 ATOM 449 C THR 54 20.985 25.278 23.548 1.00 0.00 ATOM 450 N ALA 55 20.397 26.350 23.030 1.00 0.00 ATOM 451 CA ALA 55 19.747 26.302 21.725 1.00 0.00 ATOM 452 CB ALA 55 18.277 26.688 21.777 1.00 0.00 ATOM 453 O ALA 55 20.542 28.461 21.047 1.00 0.00 ATOM 454 C ALA 55 20.467 27.261 20.784 1.00 0.00 ATOM 455 N GLN 56 20.996 26.730 19.686 1.00 0.00 ATOM 456 CA GLN 56 21.705 27.555 18.715 1.00 0.00 ATOM 457 CB GLN 56 23.199 27.112 18.757 1.00 0.00 ATOM 458 CG GLN 56 23.858 27.335 20.117 1.00 0.00 ATOM 459 CD GLN 56 25.333 26.962 19.988 1.00 0.00 ATOM 460 OE1 GLN 56 25.974 27.091 18.933 1.00 0.00 ATOM 461 NE2 GLN 56 25.934 26.588 21.092 1.00 0.00 ATOM 462 O GLN 56 20.712 26.455 16.828 1.00 0.00 ATOM 463 C GLN 56 20.939 27.524 17.397 1.00 0.00 ATOM 464 N LYS 57 20.543 28.697 16.913 1.00 0.00 ATOM 465 CA LYS 57 19.798 28.790 15.648 1.00 0.00 ATOM 466 CB LYS 57 19.501 30.236 15.298 1.00 0.00 ATOM 467 CG LYS 57 18.750 30.307 13.992 1.00 0.00 ATOM 468 CD LYS 57 18.107 31.630 13.682 1.00 0.00 ATOM 469 CE LYS 57 17.519 31.563 12.297 1.00 0.00 ATOM 470 NZ LYS 57 18.185 32.449 11.340 1.00 0.00 ATOM 471 O LYS 57 21.770 28.545 14.314 1.00 0.00 ATOM 472 C LYS 57 20.599 28.208 14.500 1.00 0.00 ATOM 473 N ASN 58 19.971 27.330 13.725 1.00 0.00 ATOM 474 CA ASN 58 20.641 26.708 12.589 1.00 0.00 ATOM 475 CB ASN 58 21.396 27.472 11.611 1.00 0.00 ATOM 476 CG ASN 58 20.755 28.789 11.240 1.00 0.00 ATOM 477 ND2 ASN 58 21.499 29.868 11.399 1.00 0.00 ATOM 478 OD1 ASN 58 19.586 28.834 10.854 1.00 0.00 ATOM 479 O ASN 58 21.791 24.711 11.921 1.00 0.00 ATOM 480 C ASN 58 21.422 25.425 12.854 1.00 0.00 ATOM 481 N LEU 59 21.670 25.134 14.128 1.00 0.00 ATOM 482 CA LEU 59 22.405 23.932 14.496 1.00 0.00 ATOM 483 CB LEU 59 22.840 24.043 15.993 1.00 0.00 ATOM 484 CG LEU 59 24.010 23.172 16.488 1.00 0.00 ATOM 485 CD1 LEU 59 25.146 23.272 15.495 1.00 0.00 ATOM 486 CD2 LEU 59 24.500 23.582 17.873 1.00 0.00 ATOM 487 O LEU 59 20.375 22.640 14.527 1.00 0.00 ATOM 488 C LEU 59 21.559 22.690 14.189 1.00 0.00 ATOM 489 N ARG 60 22.169 21.695 13.553 1.00 0.00 ATOM 490 CA ARG 60 21.459 20.467 13.214 1.00 0.00 ATOM 491 CB ARG 60 22.307 19.469 12.503 1.00 0.00 ATOM 492 CG ARG 60 21.514 18.282 11.944 1.00 0.00 ATOM 493 CD ARG 60 22.399 17.361 11.087 1.00 0.00 ATOM 494 NE ARG 60 23.473 16.809 11.898 1.00 0.00 ATOM 495 CZ ARG 60 24.737 17.213 11.851 1.00 0.00 ATOM 496 NH1 ARG 60 25.111 18.174 11.012 1.00 0.00 ATOM 497 NH2 ARG 60 25.618 16.687 12.680 1.00 0.00 ATOM 498 O ARG 60 20.049 19.130 14.655 1.00 0.00 ATOM 499 C ARG 60 21.136 19.693 14.520 1.00 0.00 ATOM 500 N LYS 61 22.078 19.677 15.459 1.00 0.00 ATOM 501 CA LYS 61 21.873 18.980 16.723 1.00 0.00 ATOM 502 CB LYS 61 23.256 18.906 17.453 1.00 0.00 ATOM 503 CG LYS 61 24.158 17.744 17.056 1.00 0.00 ATOM 504 CD LYS 61 23.658 16.423 17.632 1.00 0.00 ATOM 505 CE LYS 61 24.638 15.281 17.354 1.00 0.00 ATOM 506 NZ LYS 61 24.161 13.966 17.879 1.00 0.00 ATOM 507 O LYS 61 19.988 18.952 18.207 1.00 0.00 ATOM 508 C LYS 61 20.776 19.639 17.555 1.00 0.00 ATOM 509 N GLU 62 20.729 20.966 17.534 1.00 0.00 ATOM 510 CA GLU 62 19.711 21.715 18.304 1.00 0.00 ATOM 511 CB GLU 62 19.808 23.153 18.280 1.00 0.00 ATOM 512 CG GLU 62 19.785 23.846 16.915 1.00 0.00 ATOM 513 CD GLU 62 18.388 24.262 16.457 1.00 0.00 ATOM 514 OE1 GLU 62 17.438 24.230 17.271 1.00 0.00 ATOM 515 OE2 GLU 62 18.245 24.636 15.274 1.00 0.00 ATOM 516 O GLU 62 17.337 21.153 18.572 1.00 0.00 ATOM 517 C GLU 62 18.295 21.361 17.836 1.00 0.00 ATOM 518 N ALA 63 19.696 20.987 19.934 1.00 0.00 ATOM 519 CA ALA 63 19.483 21.001 21.376 1.00 0.00 ATOM 520 CB ALA 63 18.033 20.607 21.678 1.00 0.00 ATOM 521 O ALA 63 20.751 19.043 21.921 1.00 0.00 ATOM 522 C ALA 63 20.536 20.232 22.159 1.00 0.00 ATOM 523 N PHE 64 21.193 20.910 23.094 1.00 0.00 ATOM 524 CA PHE 64 22.223 20.273 23.907 1.00 0.00 ATOM 525 CB PHE 64 23.523 21.018 23.710 1.00 0.00 ATOM 526 CG PHE 64 24.077 20.774 22.362 1.00 0.00 ATOM 527 CD1 PHE 64 24.926 19.707 22.148 1.00 0.00 ATOM 528 CD2 PHE 64 23.704 21.567 21.283 1.00 0.00 ATOM 529 CE1 PHE 64 25.424 19.434 20.893 1.00 0.00 ATOM 530 CE2 PHE 64 24.186 21.296 20.008 1.00 0.00 ATOM 531 CZ PHE 64 25.059 20.224 19.817 1.00 0.00 ATOM 532 O PHE 64 21.282 21.562 25.695 1.00 0.00 ATOM 533 C PHE 64 21.945 20.575 25.372 1.00 0.00 ATOM 534 N LEU 65 22.452 19.726 26.259 1.00 0.00 ATOM 535 CA LEU 65 22.251 19.918 27.690 1.00 0.00 ATOM 536 CB LEU 65 21.184 18.978 28.208 1.00 0.00 ATOM 537 CG LEU 65 19.777 19.558 28.023 1.00 0.00 ATOM 538 CD1 LEU 65 18.704 18.505 28.266 1.00 0.00 ATOM 539 CD2 LEU 65 19.547 20.776 28.926 1.00 0.00 ATOM 540 O LEU 65 23.971 18.294 28.085 1.00 0.00 ATOM 541 C LEU 65 23.354 19.267 28.518 1.00 0.00 ATOM 542 N ARG 66 23.600 19.807 29.708 1.00 0.00 ATOM 543 CA ARG 66 24.626 19.265 30.578 1.00 0.00 ATOM 544 CB ARG 66 26.010 19.863 30.196 1.00 0.00 ATOM 545 CG ARG 66 25.938 20.882 29.073 1.00 0.00 ATOM 546 CD ARG 66 27.301 21.186 28.467 1.00 0.00 ATOM 547 NE ARG 66 27.787 20.072 27.654 1.00 0.00 ATOM 548 CZ ARG 66 28.133 20.174 26.375 1.00 0.00 ATOM 549 NH1 ARG 66 28.064 21.346 25.761 1.00 0.00 ATOM 550 NH2 ARG 66 28.557 19.103 25.710 1.00 0.00 ATOM 551 O ARG 66 23.625 20.426 32.420 1.00 0.00 ATOM 552 C ARG 66 24.144 19.385 32.016 1.00 0.00 ATOM 553 N VAL 67 24.317 18.319 32.790 1.00 0.00 ATOM 554 CA VAL 67 23.895 18.322 34.186 1.00 0.00 ATOM 555 CB VAL 67 23.094 17.039 34.499 1.00 0.00 ATOM 556 CG1 VAL 67 22.735 16.998 35.994 1.00 0.00 ATOM 557 CG2 VAL 67 21.846 16.993 33.673 1.00 0.00 ATOM 558 O VAL 67 25.979 17.431 34.970 1.00 0.00 ATOM 559 C VAL 67 25.166 18.354 35.025 1.00 0.00 ATOM 560 N TYR 68 25.332 19.419 35.800 1.00 0.00 ATOM 561 CA TYR 68 26.538 19.610 36.596 1.00 0.00 ATOM 562 CB TYR 68 27.063 21.063 36.430 1.00 0.00 ATOM 563 CG TYR 68 28.226 21.481 37.332 1.00 0.00 ATOM 564 CD1 TYR 68 29.448 20.770 37.341 1.00 0.00 ATOM 565 CD2 TYR 68 28.089 22.572 38.211 1.00 0.00 ATOM 566 CE1 TYR 68 30.509 21.140 38.217 1.00 0.00 ATOM 567 CE2 TYR 68 29.137 22.949 39.094 1.00 0.00 ATOM 568 CZ TYR 68 30.341 22.229 39.086 1.00 0.00 ATOM 569 OH TYR 68 31.362 22.592 39.938 1.00 0.00 ATOM 570 O TYR 68 25.367 19.994 38.654 1.00 0.00 ATOM 571 C TYR 68 26.287 19.405 38.085 1.00 0.00 ATOM 572 N HIS 69 27.105 18.568 38.716 1.00 0.00 ATOM 573 CA HIS 69 26.957 18.300 40.136 1.00 0.00 ATOM 574 CB HIS 69 27.156 16.809 40.418 1.00 0.00 ATOM 575 CG HIS 69 26.094 15.937 39.821 1.00 0.00 ATOM 576 CD2 HIS 69 24.970 16.138 38.921 1.00 0.00 ATOM 577 ND1 HIS 69 26.011 14.586 40.081 1.00 0.00 ATOM 578 CE1 HIS 69 24.963 14.075 39.408 1.00 0.00 ATOM 579 NE2 HIS 69 24.334 15.000 38.711 1.00 0.00 ATOM 580 O HIS 69 29.191 19.032 40.618 1.00 0.00 ATOM 581 C HIS 69 27.992 19.143 40.874 1.00 0.00 ATOM 582 N SER 70 27.526 19.986 41.790 1.00 0.00 ATOM 583 CA SER 70 28.423 20.838 42.555 1.00 0.00 ATOM 584 CB SER 70 28.483 22.254 41.962 1.00 0.00 ATOM 585 OG SER 70 29.361 23.094 42.689 1.00 0.00 ATOM 586 O SER 70 26.749 21.038 44.255 1.00 0.00 ATOM 587 C SER 70 27.950 20.955 43.993 1.00 0.00 ATOM 588 N ASP 71 28.894 20.963 44.928 1.00 0.00 ATOM 589 CA ASP 71 28.555 21.075 46.343 1.00 0.00 ATOM 590 CB ASP 71 28.045 19.778 46.946 1.00 0.00 ATOM 591 CG ASP 71 29.057 18.605 46.911 1.00 0.00 ATOM 592 OD1 ASP 71 30.272 18.834 46.734 1.00 0.00 ATOM 593 OD2 ASP 71 28.633 17.445 47.130 1.00 0.00 ATOM 594 O ASP 71 30.874 21.688 46.409 1.00 0.00 ATOM 595 C ASP 71 29.850 21.455 47.053 1.00 0.00 ATOM 596 N LYS 72 29.805 21.515 48.380 1.00 0.00 ATOM 597 CA LYS 72 30.984 21.865 49.161 1.00 0.00 ATOM 598 CB LYS 72 30.630 21.820 50.664 1.00 0.00 ATOM 599 CG LYS 72 31.795 22.088 51.599 1.00 0.00 ATOM 600 CD LYS 72 31.367 22.061 53.062 1.00 0.00 ATOM 601 CE LYS 72 31.503 20.684 53.661 1.00 0.00 ATOM 602 NZ LYS 72 31.095 20.658 55.087 1.00 0.00 ATOM 603 O LYS 72 33.346 21.402 48.987 1.00 0.00 ATOM 604 C LYS 72 32.202 20.965 48.858 1.00 0.00 ATOM 605 N LYS 73 31.945 19.723 48.458 1.00 0.00 ATOM 606 CA LYS 73 33.023 18.793 48.143 1.00 0.00 ATOM 607 CB LYS 73 32.531 17.379 48.415 1.00 0.00 ATOM 608 CG LYS 73 32.056 17.216 49.833 1.00 0.00 ATOM 609 CD LYS 73 33.215 17.094 50.813 1.00 0.00 ATOM 610 CE LYS 73 33.406 15.639 51.234 1.00 0.00 ATOM 611 NZ LYS 73 32.651 15.272 52.471 1.00 0.00 ATOM 612 O LYS 73 34.675 18.425 46.444 1.00 0.00 ATOM 613 C LYS 73 33.579 18.912 46.728 1.00 0.00 ATOM 614 N GLY 74 32.847 19.601 45.858 1.00 0.00 ATOM 615 CA GLY 74 33.311 19.823 44.497 1.00 0.00 ATOM 616 O GLY 74 33.231 18.831 42.369 1.00 0.00 ATOM 617 C GLY 74 33.200 18.614 43.590 1.00 0.00 ATOM 618 N VAL 75 33.055 17.419 44.139 1.00 0.00 ATOM 619 CA VAL 75 32.891 16.165 43.403 1.00 0.00 ATOM 620 CB VAL 75 32.502 15.029 44.343 1.00 0.00 ATOM 621 CG1 VAL 75 33.696 14.681 45.218 1.00 0.00 ATOM 622 CG2 VAL 75 31.316 15.403 45.210 1.00 0.00 ATOM 623 O VAL 75 30.687 16.598 42.576 1.00 0.00 ATOM 624 C VAL 75 31.859 16.479 42.296 1.00 0.00 ATOM 625 N SER 76 32.272 16.703 41.113 1.00 0.00 ATOM 626 CA SER 76 31.389 17.166 40.047 1.00 0.00 ATOM 627 CB SER 76 31.994 18.333 39.330 1.00 0.00 ATOM 628 OG SER 76 33.207 18.031 38.665 1.00 0.00 ATOM 629 O SER 76 32.109 15.176 38.915 1.00 0.00 ATOM 630 C SER 76 31.244 16.048 39.020 1.00 0.00 ATOM 631 N ALA 77 30.152 16.075 38.261 1.00 0.00 ATOM 632 CA ALA 77 29.909 15.051 37.238 1.00 0.00 ATOM 633 CB ALA 77 29.445 13.720 37.840 1.00 0.00 ATOM 634 O ALA 77 28.054 16.418 36.570 1.00 0.00 ATOM 635 C ALA 77 28.976 15.683 36.212 1.00 0.00 ATOM 636 N TRP 78 29.213 15.395 34.936 1.00 0.00 ATOM 637 CA TRP 78 28.378 15.943 33.863 1.00 0.00 ATOM 638 CB TRP 78 29.232 16.600 32.787 1.00 0.00 ATOM 639 CG TRP 78 29.844 17.891 33.208 1.00 0.00 ATOM 640 CD1 TRP 78 31.131 18.071 33.624 1.00 0.00 ATOM 641 CD2 TRP 78 29.223 19.168 33.308 1.00 0.00 ATOM 642 CE2 TRP 78 30.203 20.080 33.759 1.00 0.00 ATOM 643 CE3 TRP 78 27.946 19.650 33.008 1.00 0.00 ATOM 644 NE1 TRP 78 31.361 19.373 33.963 1.00 0.00 ATOM 645 CZ2 TRP 78 29.940 21.425 33.933 1.00 0.00 ATOM 646 CZ3 TRP 78 27.690 21.008 33.203 1.00 0.00 ATOM 647 CH2 TRP 78 28.680 21.874 33.632 1.00 0.00 ATOM 648 O TRP 78 28.307 13.876 32.641 1.00 0.00 ATOM 649 C TRP 78 27.676 14.848 33.060 1.00 0.00 ATOM 650 N GLU 79 26.373 15.007 32.849 1.00 0.00 ATOM 651 CA GLU 79 25.605 14.025 32.093 1.00 0.00 ATOM 652 CB GLU 79 24.724 13.252 33.077 1.00 0.00 ATOM 653 CG GLU 79 23.862 12.173 32.435 1.00 0.00 ATOM 654 CD GLU 79 23.095 11.400 33.471 1.00 0.00 ATOM 655 OE1 GLU 79 23.287 11.653 34.637 1.00 0.00 ATOM 656 OE2 GLU 79 22.235 10.636 33.098 1.00 0.00 ATOM 657 O GLU 79 23.836 15.446 31.313 1.00 0.00 ATOM 658 C GLU 79 24.762 14.693 31.012 1.00 0.00 ATOM 659 N GLU 80 25.084 14.416 29.752 1.00 0.00 ATOM 660 CA GLU 80 24.339 15.001 28.621 1.00 0.00 ATOM 661 CB GLU 80 25.187 14.960 27.360 1.00 0.00 ATOM 662 CG GLU 80 24.520 15.430 26.089 1.00 0.00 ATOM 663 CD GLU 80 25.404 15.394 24.860 1.00 0.00 ATOM 664 OE1 GLU 80 26.544 14.904 24.914 1.00 0.00 ATOM 665 OE2 GLU 80 24.907 15.839 23.804 1.00 0.00 ATOM 666 O GLU 80 22.934 13.099 28.316 1.00 0.00 ATOM 667 C GLU 80 22.984 14.317 28.527 1.00 0.00 ATOM 668 N VAL 81 21.940 15.130 28.525 1.00 0.00 ATOM 669 CA VAL 81 20.547 14.642 28.572 1.00 0.00 ATOM 670 CB VAL 81 19.730 15.279 29.764 1.00 0.00 ATOM 671 CG1 VAL 81 18.310 14.711 29.857 1.00 0.00 ATOM 672 CG2 VAL 81 20.464 15.099 31.102 1.00 0.00 ATOM 673 O VAL 81 19.895 15.930 26.653 1.00 0.00 ATOM 674 C VAL 81 19.917 14.825 27.198 1.00 0.00 ATOM 675 N LYS 82 19.226 13.779 26.768 1.00 0.00 ATOM 676 CA LYS 82 18.557 13.768 25.453 1.00 0.00 ATOM 677 CB LYS 82 18.253 12.334 25.013 1.00 0.00 ATOM 678 CG LYS 82 19.486 11.502 24.688 1.00 0.00 ATOM 679 CD LYS 82 19.105 10.088 24.275 1.00 0.00 ATOM 680 CE LYS 82 20.334 9.270 23.907 1.00 0.00 ATOM 681 NZ LYS 82 19.976 7.879 23.510 1.00 0.00 ATOM 682 O LYS 82 16.695 14.828 26.585 1.00 0.00 ATOM 683 C LYS 82 17.243 14.602 25.506 1.00 0.00 ATOM 684 N LYS 83 16.762 15.041 24.347 1.00 0.00 ATOM 685 CA LYS 83 15.535 15.829 24.288 1.00 0.00 ATOM 686 CB LYS 83 15.085 15.618 22.673 1.00 0.00 ATOM 687 CG LYS 83 16.180 15.390 21.633 1.00 0.00 ATOM 688 CD LYS 83 15.554 15.211 20.263 1.00 0.00 ATOM 689 CE LYS 83 16.559 15.106 19.137 1.00 0.00 ATOM 690 NZ LYS 83 15.806 15.094 17.823 1.00 0.00 ATOM 691 O LYS 83 13.578 15.558 25.648 1.00 0.00 ATOM 692 C LYS 83 14.379 15.028 24.876 1.00 0.00 ATOM 693 N ASP 84 14.294 13.752 24.513 1.00 0.00 ATOM 694 CA ASP 84 13.219 12.881 25.018 1.00 0.00 ATOM 695 CB ASP 84 13.230 11.538 24.286 1.00 0.00 ATOM 696 CG ASP 84 12.712 11.597 22.856 1.00 0.00 ATOM 697 OD1 ASP 84 12.130 12.591 22.495 1.00 0.00 ATOM 698 OD2 ASP 84 13.035 10.718 22.091 1.00 0.00 ATOM 699 O ASP 84 12.419 12.906 27.252 1.00 0.00 ATOM 700 C ASP 84 13.371 12.676 26.518 1.00 0.00 ATOM 701 N GLU 85 14.631 12.589 26.934 1.00 0.00 ATOM 702 CA GLU 85 14.983 12.547 28.363 1.00 0.00 ATOM 703 CB GLU 85 16.454 11.873 28.403 1.00 0.00 ATOM 704 CG GLU 85 16.586 10.538 27.686 1.00 0.00 ATOM 705 CD GLU 85 15.715 9.461 28.296 1.00 0.00 ATOM 706 OE1 GLU 85 16.003 9.042 29.437 1.00 0.00 ATOM 707 OE2 GLU 85 14.735 9.040 27.640 1.00 0.00 ATOM 708 O GLU 85 14.639 13.930 30.307 1.00 0.00 ATOM 709 C GLU 85 14.766 13.891 29.082 1.00 0.00 ATOM 710 N LEU 86 14.726 14.978 28.317 1.00 0.00 ATOM 711 CA LEU 86 14.522 16.302 28.896 1.00 0.00 ATOM 712 CB LEU 86 14.930 17.361 27.866 1.00 0.00 ATOM 713 CG LEU 86 14.530 18.781 28.264 1.00 0.00 ATOM 714 CD1 LEU 86 15.284 19.246 29.496 1.00 0.00 ATOM 715 CD2 LEU 86 14.796 19.737 27.102 1.00 0.00 ATOM 716 O LEU 86 12.154 16.374 28.478 1.00 0.00 ATOM 717 C LEU 86 13.060 16.442 29.324 1.00 0.00 ATOM 718 N PRO 87 12.748 16.552 30.620 1.00 0.00 ATOM 719 CA PRO 87 11.345 16.591 31.011 1.00 0.00 ATOM 720 CB PRO 87 11.402 16.479 32.530 1.00 0.00 ATOM 721 CG PRO 87 12.766 16.984 32.872 1.00 0.00 ATOM 722 CD PRO 87 13.623 16.375 31.802 1.00 0.00 ATOM 723 O PRO 87 11.427 18.975 30.755 1.00 0.00 ATOM 724 C PRO 87 10.722 17.965 30.793 1.00 0.00 ATOM 725 N ALA 88 9.400 18.003 30.650 1.00 0.00 ATOM 726 CA ALA 88 8.695 19.269 30.439 1.00 0.00 ATOM 727 CB ALA 88 7.229 18.938 30.194 1.00 0.00 ATOM 728 O ALA 88 9.013 21.479 31.373 1.00 0.00 ATOM 729 C ALA 88 8.959 20.270 31.599 1.00 0.00 ATOM 730 N LYS 89 9.120 19.755 32.814 1.00 0.00 ATOM 731 CA LYS 89 9.374 20.608 33.968 1.00 0.00 ATOM 732 CB LYS 89 9.560 19.770 35.233 1.00 0.00 ATOM 733 CG LYS 89 8.294 19.081 35.714 1.00 0.00 ATOM 734 CD LYS 89 8.550 18.269 36.974 1.00 0.00 ATOM 735 CE LYS 89 7.288 17.560 37.439 1.00 0.00 ATOM 736 NZ LYS 89 7.533 16.734 38.654 1.00 0.00 ATOM 737 O LYS 89 10.560 22.684 33.767 1.00 0.00 ATOM 738 C LYS 89 10.590 21.461 33.624 1.00 0.00 ATOM 739 N VAL 90 11.659 20.815 33.170 1.00 0.00 ATOM 740 CA VAL 90 12.890 21.534 32.802 1.00 0.00 ATOM 741 CB VAL 90 14.053 20.409 32.943 1.00 0.00 ATOM 742 CG1 VAL 90 15.413 21.006 32.589 1.00 0.00 ATOM 743 CG2 VAL 90 14.079 19.803 34.334 1.00 0.00 ATOM 744 O VAL 90 13.323 23.344 31.247 1.00 0.00 ATOM 745 C VAL 90 12.729 22.282 31.443 1.00 0.00 ATOM 746 N LYS 91 11.936 21.721 30.535 1.00 0.00 ATOM 747 CA LYS 91 11.719 22.343 29.234 1.00 0.00 ATOM 748 CB LYS 91 10.833 21.415 28.400 1.00 0.00 ATOM 749 CG LYS 91 11.524 20.137 27.949 1.00 0.00 ATOM 750 CD LYS 91 10.588 19.261 27.135 1.00 0.00 ATOM 751 CE LYS 91 11.276 17.982 26.688 1.00 0.00 ATOM 752 NZ LYS 91 10.362 17.099 25.915 1.00 0.00 ATOM 753 O LYS 91 11.258 24.606 28.586 1.00 0.00 ATOM 754 C LYS 91 11.033 23.696 29.385 1.00 0.00 ATOM 755 N GLU 92 10.198 23.827 30.410 1.00 0.00 ATOM 756 CA GLU 92 9.489 25.079 30.653 1.00 0.00 ATOM 757 CB GLU 92 8.496 24.902 31.803 1.00 0.00 ATOM 758 CG GLU 92 7.269 24.081 31.442 1.00 0.00 ATOM 759 CD GLU 92 6.369 23.823 32.635 1.00 0.00 ATOM 760 OE1 GLU 92 6.741 24.227 33.757 1.00 0.00 ATOM 761 OE2 GLU 92 5.292 23.220 32.449 1.00 0.00 ATOM 762 O GLU 92 10.544 27.228 30.431 1.00 0.00 ATOM 763 C GLU 92 10.495 26.169 31.048 1.00 0.00 ATOM 764 N LYS 93 11.436 25.783 31.901 1.00 0.00 ATOM 765 CA LYS 93 12.552 26.671 32.295 1.00 0.00 ATOM 766 CB LYS 93 13.366 26.039 33.426 1.00 0.00 ATOM 767 CG LYS 93 12.615 25.923 34.742 1.00 0.00 ATOM 768 CD LYS 93 12.303 27.294 35.323 1.00 0.00 ATOM 769 CE LYS 93 11.585 27.177 36.656 1.00 0.00 ATOM 770 NZ LYS 93 11.299 28.512 37.251 1.00 0.00 ATOM 771 O LYS 93 14.097 28.042 31.021 1.00 0.00 ATOM 772 C LYS 93 13.509 26.960 31.130 1.00 0.00 ATOM 773 N LEU 94 13.615 25.995 30.241 1.00 0.00 ATOM 774 CA LEU 94 14.422 26.135 29.023 1.00 0.00 ATOM 775 CB LEU 94 14.822 24.789 28.462 1.00 0.00 ATOM 776 CG LEU 94 15.526 23.834 29.437 1.00 0.00 ATOM 777 CD1 LEU 94 15.965 22.586 28.690 1.00 0.00 ATOM 778 CD2 LEU 94 16.724 24.512 30.072 1.00 0.00 ATOM 779 O LEU 94 14.129 27.101 26.814 1.00 0.00 ATOM 780 C LEU 94 13.613 26.880 27.910 1.00 0.00 ATOM 781 N GLY 95 12.371 27.250 28.208 1.00 0.00 ATOM 782 CA GLY 95 11.538 27.951 27.240 1.00 0.00 ATOM 783 O GLY 95 10.407 30.046 27.074 1.00 0.00 ATOM 784 C GLY 95 11.341 29.417 27.575 1.00 0.00 ATOM 785 N VAL 96 12.256 29.964 28.459 1.00 0.00 ATOM 786 CA VAL 96 12.083 31.354 28.855 1.00 0.00 ATOM 787 CB VAL 96 13.104 31.710 29.951 1.00 0.00 ATOM 788 CG1 VAL 96 13.033 33.193 30.284 1.00 0.00 ATOM 789 CG2 VAL 96 12.823 30.918 31.218 1.00 0.00 ATOM 790 O VAL 96 13.378 32.190 27.004 1.00 0.00 ATOM 791 C VAL 96 12.323 32.249 27.632 1.00 0.00 ATOM 792 N LYS 97 11.281 33.052 27.357 1.00 0.00 ATOM 793 CA LYS 97 11.360 33.982 26.250 1.00 0.00 ATOM 794 CB LYS 97 10.006 34.606 25.995 1.00 0.00 ATOM 795 CG LYS 97 9.170 33.834 24.997 1.00 0.00 ATOM 796 CD LYS 97 7.700 34.249 25.014 1.00 0.00 ATOM 797 CE LYS 97 6.943 33.854 23.751 1.00 0.00 ATOM 798 NZ LYS 97 5.468 34.007 23.872 1.00 0.00 ATOM 799 O LYS 97 12.570 35.554 27.651 1.00 0.00 ATOM 800 C LYS 97 12.386 35.086 26.520 1.00 0.00 TER END