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 4 Thu Jul 24 12:05:46 2008 MODEL 4 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 9.416 35.262 34.279 1.00 0.00 ATOM 2 CA MET 1 10.682 35.426 33.580 1.00 0.00 ATOM 3 CB MET 1 10.528 34.718 32.230 1.00 0.00 ATOM 4 CG MET 1 11.826 34.748 31.453 1.00 0.00 ATOM 5 SD MET 1 11.802 33.845 29.864 1.00 0.00 ATOM 6 CE MET 1 11.723 32.141 30.356 1.00 0.00 ATOM 7 O MET 1 10.164 37.545 32.612 1.00 0.00 ATOM 8 C MET 1 10.898 36.895 33.388 1.00 0.00 ATOM 9 N ASP 2 11.920 37.462 34.060 1.00 0.00 ATOM 10 CA ASP 2 12.232 38.857 33.924 1.00 0.00 ATOM 11 CB ASP 2 12.618 39.397 35.300 1.00 0.00 ATOM 12 CG ASP 2 12.772 40.931 35.316 1.00 0.00 ATOM 13 OD1 ASP 2 12.943 41.505 34.222 1.00 0.00 ATOM 14 OD2 ASP 2 12.614 41.476 36.433 1.00 0.00 ATOM 15 O ASP 2 14.512 38.630 33.153 1.00 0.00 ATOM 16 C ASP 2 13.377 39.067 32.922 1.00 0.00 ATOM 17 N LEU 3 12.983 39.434 31.713 1.00 0.00 ATOM 18 CA LEU 3 13.941 39.717 30.636 1.00 0.00 ATOM 19 CB LEU 3 13.267 39.439 29.280 1.00 0.00 ATOM 20 CG LEU 3 14.074 39.881 28.053 1.00 0.00 ATOM 21 CD1 LEU 3 15.395 39.126 27.883 1.00 0.00 ATOM 22 CD2 LEU 3 13.217 39.726 26.812 1.00 0.00 ATOM 23 O LEU 3 13.655 42.094 30.786 1.00 0.00 ATOM 24 C LEU 3 14.444 41.156 30.676 1.00 0.00 ATOM 25 N ASN 4 15.760 41.327 30.584 1.00 0.00 ATOM 26 CA ASN 4 16.361 42.671 30.609 1.00 0.00 ATOM 27 CB ASN 4 17.181 42.901 31.873 1.00 0.00 ATOM 28 CG ASN 4 16.326 42.916 33.122 1.00 0.00 ATOM 29 ND2 ASN 4 16.583 41.938 33.949 1.00 0.00 ATOM 30 OD1 ASN 4 15.432 43.729 33.318 1.00 0.00 ATOM 31 O ASN 4 17.920 41.917 28.994 1.00 0.00 ATOM 32 C ASN 4 17.195 42.829 29.394 1.00 0.00 ATOM 33 N ARG 5 17.108 44.004 28.778 1.00 0.00 ATOM 34 CA ARG 5 17.881 44.285 27.574 1.00 0.00 ATOM 35 CB ARG 5 16.984 45.023 26.564 1.00 0.00 ATOM 36 CG ARG 5 15.659 44.250 26.402 1.00 0.00 ATOM 37 CD ARG 5 14.853 44.694 25.175 1.00 0.00 ATOM 38 NE ARG 5 13.646 43.861 25.068 1.00 0.00 ATOM 39 CZ ARG 5 12.491 44.164 25.647 1.00 0.00 ATOM 40 NH1 ARG 5 12.346 45.279 26.313 1.00 0.00 ATOM 41 NH2 ARG 5 11.410 43.455 25.387 1.00 0.00 ATOM 42 O ARG 5 19.371 46.017 28.373 1.00 0.00 ATOM 43 C ARG 5 19.257 44.898 27.899 1.00 0.00 ATOM 44 N MET 6 20.218 43.991 27.995 1.00 0.00 ATOM 45 CA MET 6 21.635 44.347 28.246 1.00 0.00 ATOM 46 CB MET 6 22.475 43.124 28.600 1.00 0.00 ATOM 47 CG MET 6 22.030 42.494 29.923 1.00 0.00 ATOM 48 SD MET 6 22.049 43.604 31.383 1.00 0.00 ATOM 49 CE MET 6 23.791 43.793 31.693 1.00 0.00 ATOM 50 O MET 6 23.246 45.870 27.243 1.00 0.00 ATOM 51 C MET 6 22.259 45.159 27.093 1.00 0.00 ATOM 52 N GLY 7 21.693 44.960 25.910 1.00 0.00 ATOM 53 CA GLY 7 22.118 45.648 24.685 1.00 0.00 ATOM 54 O GLY 7 20.455 44.299 23.592 1.00 0.00 ATOM 55 C GLY 7 21.344 45.139 23.480 1.00 0.00 ATOM 56 N LYS 8 21.730 45.722 22.341 1.00 0.00 ATOM 57 CA LYS 8 21.110 45.494 21.024 1.00 0.00 ATOM 58 CB LYS 8 21.953 46.069 19.875 1.00 0.00 ATOM 59 CG LYS 8 23.093 47.030 20.225 1.00 0.00 ATOM 60 CD LYS 8 22.577 48.454 20.132 1.00 0.00 ATOM 61 CE LYS 8 23.647 49.446 20.522 1.00 0.00 ATOM 62 NZ LYS 8 24.478 49.956 19.433 1.00 0.00 ATOM 63 O LYS 8 20.166 43.506 20.068 1.00 0.00 ATOM 64 C LYS 8 21.119 44.012 20.663 1.00 0.00 ATOM 65 N ASP 9 22.193 43.319 21.025 1.00 0.00 ATOM 66 CA ASP 9 22.302 41.914 20.733 1.00 0.00 ATOM 67 CB ASP 9 23.606 41.707 19.949 1.00 0.00 ATOM 68 CG ASP 9 23.576 42.447 18.616 1.00 0.00 ATOM 69 OD1 ASP 9 22.633 42.221 17.823 1.00 0.00 ATOM 70 OD2 ASP 9 24.352 43.433 18.557 1.00 0.00 ATOM 71 O ASP 9 22.164 39.841 21.933 1.00 0.00 ATOM 72 C ASP 9 22.416 41.046 21.982 1.00 0.00 ATOM 73 N GLU 10 22.797 41.659 23.098 1.00 0.00 ATOM 74 CA GLU 10 22.936 40.929 24.342 1.00 0.00 ATOM 75 CB GLU 10 24.200 41.452 25.013 1.00 0.00 ATOM 76 CG GLU 10 24.552 40.698 26.249 1.00 0.00 ATOM 77 CD GLU 10 25.838 41.032 26.980 1.00 0.00 ATOM 78 OE1 GLU 10 26.911 40.679 26.458 1.00 0.00 ATOM 79 OE2 GLU 10 25.661 41.378 28.154 1.00 0.00 ATOM 80 O GLU 10 21.345 42.262 25.528 1.00 0.00 ATOM 81 C GLU 10 21.737 41.130 25.244 1.00 0.00 ATOM 82 N TYR 11 21.149 40.027 25.699 1.00 0.00 ATOM 83 CA TYR 11 19.987 40.098 26.577 1.00 0.00 ATOM 84 CB TYR 11 18.696 39.801 25.817 1.00 0.00 ATOM 85 CG TYR 11 18.393 40.703 24.625 1.00 0.00 ATOM 86 CD1 TYR 11 18.956 40.499 23.373 1.00 0.00 ATOM 87 CD2 TYR 11 17.526 41.749 24.818 1.00 0.00 ATOM 88 CE1 TYR 11 18.689 41.359 22.318 1.00 0.00 ATOM 89 CE2 TYR 11 17.265 42.618 23.772 1.00 0.00 ATOM 90 CZ TYR 11 17.853 42.432 22.531 1.00 0.00 ATOM 91 OH TYR 11 17.740 43.343 21.560 1.00 0.00 ATOM 92 O TYR 11 20.914 38.127 27.608 1.00 0.00 ATOM 93 C TYR 11 20.179 39.118 27.719 1.00 0.00 ATOM 94 N TYR 12 19.600 39.473 28.852 1.00 0.00 ATOM 95 CA TYR 12 19.773 38.678 30.074 1.00 0.00 ATOM 96 CB TYR 12 20.714 39.421 31.012 1.00 0.00 ATOM 97 CG TYR 12 21.045 38.619 32.276 1.00 0.00 ATOM 98 CD1 TYR 12 21.897 37.526 32.204 1.00 0.00 ATOM 99 CD2 TYR 12 20.506 39.006 33.487 1.00 0.00 ATOM 100 CE1 TYR 12 22.202 36.813 33.355 1.00 0.00 ATOM 101 CE2 TYR 12 20.813 38.286 34.643 1.00 0.00 ATOM 102 CZ TYR 12 21.657 37.189 34.571 1.00 0.00 ATOM 103 OH TYR 12 22.053 36.545 35.701 1.00 0.00 ATOM 104 O TYR 12 17.618 39.319 30.912 1.00 0.00 ATOM 105 C TYR 12 18.431 38.412 30.751 1.00 0.00 ATOM 106 N VAL 13 18.214 37.158 31.096 1.00 0.00 ATOM 107 CA VAL 13 16.962 36.746 31.749 1.00 0.00 ATOM 108 CB VAL 13 16.286 35.662 30.905 1.00 0.00 ATOM 109 CG1 VAL 13 15.010 35.170 31.563 1.00 0.00 ATOM 110 CG2 VAL 13 15.908 36.148 29.496 1.00 0.00 ATOM 111 O VAL 13 18.088 35.350 33.352 1.00 0.00 ATOM 112 C VAL 13 17.243 36.231 33.164 1.00 0.00 ATOM 113 N GLN 14 16.413 36.679 34.087 1.00 0.00 ATOM 114 CA GLN 14 16.396 36.084 35.431 1.00 0.00 ATOM 115 CB GLN 14 16.838 37.072 36.520 1.00 0.00 ATOM 116 CG GLN 14 15.706 37.975 37.011 1.00 0.00 ATOM 117 CD GLN 14 16.182 38.812 38.178 1.00 0.00 ATOM 118 OE1 GLN 14 17.067 39.625 38.004 1.00 0.00 ATOM 119 NE2 GLN 14 15.849 38.401 39.396 1.00 0.00 ATOM 120 O GLN 14 13.947 36.078 35.540 1.00 0.00 ATOM 121 C GLN 14 15.010 35.491 35.753 1.00 0.00 ATOM 122 N ILE 15 15.058 34.239 36.158 1.00 0.00 ATOM 123 CA ILE 15 13.849 33.488 36.528 1.00 0.00 ATOM 124 CB ILE 15 13.638 32.278 35.606 1.00 0.00 ATOM 125 CG1 ILE 15 13.555 32.727 34.145 1.00 0.00 ATOM 126 CG2 ILE 15 12.408 31.455 36.018 1.00 0.00 ATOM 127 CD1 ILE 15 13.391 31.574 33.157 1.00 0.00 ATOM 128 O ILE 15 14.976 32.357 38.306 1.00 0.00 ATOM 129 C ILE 15 14.007 33.041 37.979 1.00 0.00 ATOM 130 N THR 16 12.893 33.152 38.685 1.00 0.00 ATOM 131 CA THR 16 12.815 32.632 40.061 1.00 0.00 ATOM 132 CB THR 16 12.506 33.732 41.082 1.00 0.00 ATOM 133 CG2 THR 16 12.354 33.160 42.485 1.00 0.00 ATOM 134 OG1 THR 16 13.528 34.731 41.027 1.00 0.00 ATOM 135 O THR 16 10.558 31.835 39.825 1.00 0.00 ATOM 136 C THR 16 11.726 31.562 40.097 1.00 0.00 ATOM 137 N VAL 17 12.152 30.348 40.430 1.00 0.00 ATOM 138 CA VAL 17 11.207 29.214 40.500 1.00 0.00 ATOM 139 CB VAL 17 11.584 28.096 39.527 1.00 0.00 ATOM 140 CG1 VAL 17 10.522 26.974 39.520 1.00 0.00 ATOM 141 CG2 VAL 17 11.884 28.673 38.149 1.00 0.00 ATOM 142 O VAL 17 12.010 27.811 42.274 1.00 0.00 ATOM 143 C VAL 17 11.189 28.660 41.921 1.00 0.00 ATOM 144 N ASP 18 10.253 29.139 42.734 1.00 0.00 ATOM 145 CA ASP 18 10.136 28.676 44.130 1.00 0.00 ATOM 146 CB ASP 18 9.608 27.235 44.141 1.00 0.00 ATOM 147 CG ASP 18 8.247 27.100 43.475 1.00 0.00 ATOM 148 OD1 ASP 18 7.344 27.892 43.822 1.00 0.00 ATOM 149 OD2 ASP 18 8.197 26.242 42.567 1.00 0.00 ATOM 150 O ASP 18 11.938 27.789 45.463 1.00 0.00 ATOM 151 C ASP 18 11.501 28.757 44.839 1.00 0.00 ATOM 152 N GLY 19 12.158 29.908 44.740 1.00 0.00 ATOM 153 CA GLY 19 13.458 30.093 45.376 1.00 0.00 ATOM 154 O GLY 19 15.820 29.878 44.883 1.00 0.00 ATOM 155 C GLY 19 14.672 29.584 44.545 1.00 0.00 ATOM 156 N LYS 20 14.404 28.836 43.481 1.00 0.00 ATOM 157 CA LYS 20 15.472 28.313 42.636 1.00 0.00 ATOM 158 CB LYS 20 15.079 26.975 41.996 1.00 0.00 ATOM 159 CG LYS 20 14.790 25.908 43.051 1.00 0.00 ATOM 160 CD LYS 20 16.056 25.424 43.773 1.00 0.00 ATOM 161 CE LYS 20 15.775 24.555 44.992 1.00 0.00 ATOM 162 NZ LYS 20 14.834 23.473 44.699 1.00 0.00 ATOM 163 O LYS 20 14.927 30.093 41.104 1.00 0.00 ATOM 164 C LYS 20 15.809 29.373 41.584 1.00 0.00 ATOM 165 N GLU 21 17.096 29.467 41.256 1.00 0.00 ATOM 166 CA GLU 21 17.515 30.536 40.336 1.00 0.00 ATOM 167 CB GLU 21 18.512 31.456 41.067 1.00 0.00 ATOM 168 CG GLU 21 17.789 32.129 42.246 1.00 0.00 ATOM 169 CD GLU 21 18.695 32.901 43.205 1.00 0.00 ATOM 170 OE1 GLU 21 19.332 32.223 44.051 1.00 0.00 ATOM 171 OE2 GLU 21 18.684 34.137 43.089 1.00 0.00 ATOM 172 O GLU 21 18.519 28.981 38.765 1.00 0.00 ATOM 173 C GLU 21 17.878 30.015 38.936 1.00 0.00 ATOM 174 N VAL 22 17.127 30.576 37.985 1.00 0.00 ATOM 175 CA VAL 22 17.222 30.209 36.555 1.00 0.00 ATOM 176 CB VAL 22 15.851 29.826 35.964 1.00 0.00 ATOM 177 CG1 VAL 22 15.970 29.438 34.494 1.00 0.00 ATOM 178 CG2 VAL 22 15.191 28.625 36.625 1.00 0.00 ATOM 179 O VAL 22 17.107 32.450 35.708 1.00 0.00 ATOM 180 C VAL 22 17.788 31.432 35.842 1.00 0.00 ATOM 181 N HIS 23 19.032 31.331 35.386 1.00 0.00 ATOM 182 CA HIS 23 19.670 32.437 34.689 1.00 0.00 ATOM 183 CB HIS 23 21.025 32.738 35.338 1.00 0.00 ATOM 184 CG HIS 23 20.900 32.950 36.847 1.00 0.00 ATOM 185 CD2 HIS 23 21.232 32.070 37.795 1.00 0.00 ATOM 186 ND1 HIS 23 20.389 34.028 37.434 1.00 0.00 ATOM 187 CE1 HIS 23 20.387 33.777 38.740 1.00 0.00 ATOM 188 NE2 HIS 23 20.933 32.601 38.978 1.00 0.00 ATOM 189 O HIS 23 20.535 31.171 32.860 1.00 0.00 ATOM 190 C HIS 23 19.925 32.176 33.225 1.00 0.00 ATOM 191 N SER 24 19.457 33.084 32.375 1.00 0.00 ATOM 192 CA SER 24 19.645 32.939 30.935 1.00 0.00 ATOM 193 CB SER 24 18.284 32.893 30.250 1.00 0.00 ATOM 194 OG SER 24 18.466 32.637 28.858 1.00 0.00 ATOM 195 O SER 24 20.182 35.295 30.705 1.00 0.00 ATOM 196 C SER 24 20.429 34.127 30.411 1.00 0.00 ATOM 197 N LYS 25 21.406 33.779 29.624 1.00 0.00 ATOM 198 CA LYS 25 22.167 34.769 28.855 1.00 0.00 ATOM 199 CB LYS 25 23.602 34.894 29.350 1.00 0.00 ATOM 200 CG LYS 25 24.447 35.889 28.584 1.00 0.00 ATOM 201 CD LYS 25 24.140 37.221 29.220 1.00 0.00 ATOM 202 CE LYS 25 24.593 38.268 28.236 1.00 0.00 ATOM 203 NZ LYS 25 23.633 38.379 27.134 1.00 0.00 ATOM 204 O LYS 25 22.094 33.305 26.957 1.00 0.00 ATOM 205 C LYS 25 21.988 34.459 27.374 1.00 0.00 ATOM 206 N ALA 26 21.718 35.490 26.580 1.00 0.00 ATOM 207 CA ALA 26 21.538 35.303 25.196 1.00 0.00 ATOM 208 CB ALA 26 20.048 35.404 24.955 1.00 0.00 ATOM 209 O ALA 26 22.101 37.521 24.637 1.00 0.00 ATOM 210 C ALA 26 22.273 36.318 24.437 1.00 0.00 ATOM 211 N ASP 27 23.125 35.854 23.528 1.00 0.00 ATOM 212 CA ASP 27 23.917 36.758 22.702 1.00 0.00 ATOM 213 CB ASP 27 25.400 36.494 22.904 1.00 0.00 ATOM 214 CG ASP 27 26.234 37.384 21.979 1.00 0.00 ATOM 215 OD1 ASP 27 25.632 38.335 21.417 1.00 0.00 ATOM 216 OD2 ASP 27 27.429 37.085 21.823 1.00 0.00 ATOM 217 O ASP 27 23.909 35.499 20.660 1.00 0.00 ATOM 218 C ASP 27 23.492 36.489 21.262 1.00 0.00 ATOM 219 N ASN 28 22.664 37.372 20.711 1.00 0.00 ATOM 220 CA ASN 28 22.198 37.215 19.344 1.00 0.00 ATOM 221 CB ASN 28 20.835 37.844 19.155 1.00 0.00 ATOM 222 CG ASN 28 19.744 36.919 19.659 1.00 0.00 ATOM 223 ND2 ASN 28 18.737 37.560 20.133 1.00 0.00 ATOM 224 OD1 ASN 28 19.803 35.694 19.714 1.00 0.00 ATOM 225 O ASN 28 23.118 39.154 18.271 1.00 0.00 ATOM 226 C ASN 28 23.135 37.927 18.373 1.00 0.00 ATOM 227 N GLY 29 23.951 37.156 17.662 1.00 0.00 ATOM 228 CA GLY 29 24.888 37.729 16.702 1.00 0.00 ATOM 229 O GLY 29 23.150 37.493 15.029 1.00 0.00 ATOM 230 C GLY 29 24.288 37.797 15.308 1.00 0.00 ATOM 231 N GLN 30 25.205 38.244 14.338 1.00 0.00 ATOM 232 CA GLN 30 24.761 38.478 12.970 1.00 0.00 ATOM 233 CB GLN 30 26.050 38.738 12.183 1.00 0.00 ATOM 234 CG GLN 30 27.204 39.379 12.973 1.00 0.00 ATOM 235 CD GLN 30 28.438 39.555 12.096 1.00 0.00 ATOM 236 OE1 GLN 30 29.021 38.599 11.598 1.00 0.00 ATOM 237 NE2 GLN 30 28.871 40.780 11.984 1.00 0.00 ATOM 238 O GLN 30 22.918 37.156 12.017 1.00 0.00 ATOM 239 C GLN 30 24.094 37.226 12.380 1.00 0.00 ATOM 240 N LYS 31 24.908 36.173 12.364 1.00 0.00 ATOM 241 CA LYS 31 24.532 34.873 11.796 1.00 0.00 ATOM 242 CB LYS 31 25.454 35.053 10.250 1.00 0.00 ATOM 243 CG LYS 31 25.779 36.377 9.590 1.00 0.00 ATOM 244 CD LYS 31 26.813 36.169 8.476 1.00 0.00 ATOM 245 CE LYS 31 28.189 35.727 9.001 1.00 0.00 ATOM 246 NZ LYS 31 28.369 34.252 9.137 1.00 0.00 ATOM 247 O LYS 31 24.465 32.585 12.418 1.00 0.00 ATOM 248 C LYS 31 24.642 33.733 12.805 1.00 0.00 ATOM 249 N TYR 32 24.652 34.075 14.088 1.00 0.00 ATOM 250 CA TYR 32 24.796 33.080 15.157 1.00 0.00 ATOM 251 CB TYR 32 26.281 32.806 15.396 1.00 0.00 ATOM 252 CG TYR 32 27.082 34.042 15.812 1.00 0.00 ATOM 253 CD1 TYR 32 27.280 34.285 17.164 1.00 0.00 ATOM 254 CD2 TYR 32 27.604 34.914 14.872 1.00 0.00 ATOM 255 CE1 TYR 32 28.003 35.392 17.582 1.00 0.00 ATOM 256 CE2 TYR 32 28.304 36.027 15.291 1.00 0.00 ATOM 257 CZ TYR 32 28.523 36.272 16.636 1.00 0.00 ATOM 258 OH TYR 32 29.287 37.314 17.034 1.00 0.00 ATOM 259 O TYR 32 24.068 34.754 16.714 1.00 0.00 ATOM 260 C TYR 32 24.054 33.563 16.399 1.00 0.00 ATOM 261 N LYS 33 23.409 32.638 17.103 1.00 0.00 ATOM 262 CA LYS 33 22.654 32.987 18.326 1.00 0.00 ATOM 263 CB LYS 33 21.222 33.457 18.045 1.00 0.00 ATOM 264 CG LYS 33 21.156 34.693 17.127 1.00 0.00 ATOM 265 CD LYS 33 19.726 35.151 16.867 1.00 0.00 ATOM 266 CE LYS 33 19.688 36.427 16.043 1.00 0.00 ATOM 267 NZ LYS 33 18.315 36.907 15.998 1.00 0.00 ATOM 268 O LYS 33 22.192 30.746 19.044 1.00 0.00 ATOM 269 C LYS 33 22.642 31.853 19.343 1.00 0.00 ATOM 270 N ASP 34 23.137 32.128 20.546 1.00 0.00 ATOM 271 CA ASP 34 23.173 31.118 21.597 1.00 0.00 ATOM 272 CB ASP 34 24.614 30.835 22.013 1.00 0.00 ATOM 273 CG ASP 34 25.411 30.118 20.916 1.00 0.00 ATOM 274 OD1 ASP 34 25.362 30.517 19.755 1.00 0.00 ATOM 275 OD2 ASP 34 26.129 29.148 21.230 1.00 0.00 ATOM 276 O ASP 34 22.901 32.806 23.302 1.00 0.00 ATOM 277 C ASP 34 22.584 31.679 22.893 1.00 0.00 ATOM 278 N TYR 35 21.655 30.910 23.432 1.00 0.00 ATOM 279 CA TYR 35 21.096 31.225 24.740 1.00 0.00 ATOM 280 CB TYR 35 19.851 32.082 24.534 1.00 0.00 ATOM 281 CG TYR 35 18.712 31.525 23.681 1.00 0.00 ATOM 282 CD1 TYR 35 17.601 31.051 24.354 1.00 0.00 ATOM 283 CD2 TYR 35 18.794 31.457 22.297 1.00 0.00 ATOM 284 CE1 TYR 35 16.566 30.475 23.635 1.00 0.00 ATOM 285 CE2 TYR 35 17.762 30.873 21.585 1.00 0.00 ATOM 286 CZ TYR 35 16.658 30.378 22.260 1.00 0.00 ATOM 287 OH TYR 35 15.654 29.892 21.511 1.00 0.00 ATOM 288 O TYR 35 20.523 28.911 25.149 1.00 0.00 ATOM 289 C TYR 35 20.939 29.972 25.611 1.00 0.00 ATOM 290 N GLU 36 21.328 30.141 26.877 1.00 0.00 ATOM 291 CA GLU 36 21.382 29.027 27.848 1.00 0.00 ATOM 292 CB GLU 36 22.813 28.491 27.999 1.00 0.00 ATOM 293 CG GLU 36 23.733 29.472 28.712 1.00 0.00 ATOM 294 CD GLU 36 25.202 29.114 28.843 1.00 0.00 ATOM 295 OE1 GLU 36 25.571 28.107 28.202 1.00 0.00 ATOM 296 OE2 GLU 36 25.933 29.951 29.428 1.00 0.00 ATOM 297 O GLU 36 20.861 30.608 29.576 1.00 0.00 ATOM 298 C GLU 36 20.815 29.433 29.209 1.00 0.00 ATOM 299 N TYR 37 20.317 28.434 29.917 1.00 0.00 ATOM 300 CA TYR 37 19.738 28.610 31.266 1.00 0.00 ATOM 301 CB TYR 37 18.269 28.178 31.321 1.00 0.00 ATOM 302 CG TYR 37 17.334 28.958 30.404 1.00 0.00 ATOM 303 CD1 TYR 37 16.260 29.617 30.954 1.00 0.00 ATOM 304 CD2 TYR 37 17.437 28.865 29.030 1.00 0.00 ATOM 305 CE1 TYR 37 15.275 30.176 30.165 1.00 0.00 ATOM 306 CE2 TYR 37 16.456 29.423 28.219 1.00 0.00 ATOM 307 CZ TYR 37 15.372 30.075 28.782 1.00 0.00 ATOM 308 OH TYR 37 14.410 30.605 27.994 1.00 0.00 ATOM 309 O TYR 37 20.607 26.549 32.066 1.00 0.00 ATOM 310 C TYR 37 20.493 27.740 32.268 1.00 0.00 ATOM 311 N LYS 38 20.952 28.355 33.307 1.00 0.00 ATOM 312 CA LYS 38 21.533 27.644 34.460 1.00 0.00 ATOM 313 CB LYS 38 22.858 28.314 34.834 1.00 0.00 ATOM 314 CG LYS 38 23.913 28.148 33.735 1.00 0.00 ATOM 315 CD LYS 38 25.229 28.767 34.185 1.00 0.00 ATOM 316 CE LYS 38 26.259 28.581 33.087 1.00 0.00 ATOM 317 NZ LYS 38 27.526 29.076 33.584 1.00 0.00 ATOM 318 O LYS 38 20.102 28.681 36.084 1.00 0.00 ATOM 319 C LYS 38 20.541 27.628 35.620 1.00 0.00 ATOM 320 N LEU 39 20.191 26.433 36.085 1.00 0.00 ATOM 321 CA LEU 39 19.256 26.301 37.187 1.00 0.00 ATOM 322 CB LEU 39 18.051 25.406 36.864 1.00 0.00 ATOM 323 CG LEU 39 17.161 25.138 38.090 1.00 0.00 ATOM 324 CD1 LEU 39 16.467 26.386 38.607 1.00 0.00 ATOM 325 CD2 LEU 39 16.110 24.082 37.773 1.00 0.00 ATOM 326 O LEU 39 20.298 24.484 38.335 1.00 0.00 ATOM 327 C LEU 39 19.936 25.661 38.374 1.00 0.00 ATOM 328 N THR 40 20.114 26.435 39.439 1.00 0.00 ATOM 329 CA THR 40 20.758 25.924 40.645 1.00 0.00 ATOM 330 CB THR 40 21.350 27.095 41.392 1.00 0.00 ATOM 331 CG2 THR 40 21.944 26.605 42.714 1.00 0.00 ATOM 332 OG1 THR 40 22.458 27.597 40.639 1.00 0.00 ATOM 333 O THR 40 18.646 26.041 41.739 1.00 0.00 ATOM 334 C THR 40 19.716 25.444 41.612 1.00 0.00 ATOM 335 N GLY 41 20.020 24.353 42.308 1.00 0.00 ATOM 336 CA GLY 41 19.089 23.793 43.280 1.00 0.00 ATOM 337 O GLY 41 20.949 22.514 44.092 1.00 0.00 ATOM 338 C GLY 41 19.845 23.002 44.342 1.00 0.00 ATOM 339 N PHE 42 19.252 22.875 45.524 1.00 0.00 ATOM 340 CA PHE 42 19.874 22.155 46.573 1.00 0.00 ATOM 341 CB PHE 42 19.528 22.801 47.914 1.00 0.00 ATOM 342 CG PHE 42 20.175 22.021 49.056 1.00 0.00 ATOM 343 CD1 PHE 42 21.509 22.247 49.364 1.00 0.00 ATOM 344 CD2 PHE 42 19.437 21.104 49.794 1.00 0.00 ATOM 345 CE1 PHE 42 22.108 21.553 50.401 1.00 0.00 ATOM 346 CE2 PHE 42 20.028 20.427 50.841 1.00 0.00 ATOM 347 CZ PHE 42 21.353 20.653 51.134 1.00 0.00 ATOM 348 O PHE 42 18.135 20.510 46.416 1.00 0.00 ATOM 349 C PHE 42 19.342 20.727 46.522 1.00 0.00 ATOM 350 N ASP 43 20.245 19.754 46.599 1.00 0.00 ATOM 351 CA ASP 43 19.849 18.363 46.564 1.00 0.00 ATOM 352 CB ASP 43 20.333 17.665 45.289 1.00 0.00 ATOM 353 CG ASP 43 21.847 17.734 45.072 1.00 0.00 ATOM 354 OD1 ASP 43 22.546 17.893 46.078 1.00 0.00 ATOM 355 OD2 ASP 43 22.216 17.631 43.896 1.00 0.00 ATOM 356 O ASP 43 20.752 18.312 48.793 1.00 0.00 ATOM 357 C ASP 43 20.289 17.662 47.854 1.00 0.00 ATOM 358 N LYS 44 20.145 16.341 47.896 1.00 0.00 ATOM 359 CA LYS 44 20.534 15.574 49.073 1.00 0.00 ATOM 360 CB LYS 44 19.846 14.212 49.171 1.00 0.00 ATOM 361 CG LYS 44 18.338 14.298 49.244 1.00 0.00 ATOM 362 CD LYS 44 17.816 12.871 49.229 1.00 0.00 ATOM 363 CE LYS 44 16.307 12.880 49.409 1.00 0.00 ATOM 364 NZ LYS 44 15.782 11.512 49.528 1.00 0.00 ATOM 365 O LYS 44 22.770 16.141 48.430 1.00 0.00 ATOM 366 C LYS 44 22.055 15.427 49.110 1.00 0.00 ATOM 367 N ASP 45 22.543 14.701 50.125 1.00 0.00 ATOM 368 CA ASP 45 23.990 14.445 50.323 1.00 0.00 ATOM 369 CB ASP 45 24.293 13.117 49.555 1.00 0.00 ATOM 370 CG ASP 45 23.673 11.847 50.195 1.00 0.00 ATOM 371 OD1 ASP 45 23.286 11.875 51.335 1.00 0.00 ATOM 372 OD2 ASP 45 23.667 10.865 49.377 1.00 0.00 ATOM 373 O ASP 45 25.992 15.797 50.596 1.00 0.00 ATOM 374 C ASP 45 24.765 15.732 50.667 1.00 0.00 ATOM 375 N GLY 46 24.022 16.737 51.117 1.00 0.00 ATOM 376 CA GLY 46 24.578 18.052 51.482 1.00 0.00 ATOM 377 O GLY 46 26.416 19.206 50.460 1.00 0.00 ATOM 378 C GLY 46 25.329 18.649 50.297 1.00 0.00 ATOM 379 N LYS 47 24.750 18.535 49.106 1.00 0.00 ATOM 380 CA LYS 47 25.383 19.078 47.881 1.00 0.00 ATOM 381 CB LYS 47 25.883 17.971 46.944 1.00 0.00 ATOM 382 CG LYS 47 26.931 17.074 47.565 1.00 0.00 ATOM 383 CD LYS 47 28.216 17.849 47.826 1.00 0.00 ATOM 384 CE LYS 47 29.203 16.885 48.470 1.00 0.00 ATOM 385 NZ LYS 47 29.576 15.832 47.522 1.00 0.00 ATOM 386 O LYS 47 23.218 19.985 47.493 1.00 0.00 ATOM 387 C LYS 47 24.391 19.902 47.123 1.00 0.00 ATOM 388 N GLU 48 24.851 20.528 46.044 1.00 0.00 ATOM 389 CA GLU 48 23.980 21.358 45.221 1.00 0.00 ATOM 390 CB GLU 48 24.449 22.803 45.273 1.00 0.00 ATOM 391 CG GLU 48 24.091 23.394 46.639 1.00 0.00 ATOM 392 CD GLU 48 24.313 24.902 46.640 1.00 0.00 ATOM 393 OE1 GLU 48 23.742 25.518 47.562 1.00 0.00 ATOM 394 OE2 GLU 48 25.030 25.396 45.746 1.00 0.00 ATOM 395 O GLU 48 25.038 20.162 43.431 1.00 0.00 ATOM 396 C GLU 48 24.069 20.828 43.794 1.00 0.00 ATOM 397 N LYS 49 23.056 21.126 42.986 1.00 0.00 ATOM 398 CA LYS 49 23.042 20.677 41.617 1.00 0.00 ATOM 399 CB LYS 49 22.108 19.478 41.482 1.00 0.00 ATOM 400 CG LYS 49 20.655 19.755 41.877 1.00 0.00 ATOM 401 CD LYS 49 19.774 18.524 41.766 1.00 0.00 ATOM 402 CE LYS 49 18.479 18.907 42.487 1.00 0.00 ATOM 403 NZ LYS 49 17.383 18.071 42.027 1.00 0.00 ATOM 404 O LYS 49 21.688 22.542 40.948 1.00 0.00 ATOM 405 C LYS 49 22.626 21.795 40.667 1.00 0.00 ATOM 406 N GLU 50 23.325 21.910 39.541 1.00 0.00 ATOM 407 CA GLU 50 23.014 22.948 38.551 1.00 0.00 ATOM 408 CB GLU 50 23.968 24.180 38.772 1.00 0.00 ATOM 409 CG GLU 50 25.434 23.867 38.449 1.00 0.00 ATOM 410 CD GLU 50 26.344 25.065 38.721 1.00 0.00 ATOM 411 OE1 GLU 50 26.913 25.608 37.746 1.00 0.00 ATOM 412 OE2 GLU 50 26.476 25.454 39.900 1.00 0.00 ATOM 413 O GLU 50 23.571 21.600 36.643 1.00 0.00 ATOM 414 C GLU 50 22.737 22.330 37.181 1.00 0.00 ATOM 415 N LEU 51 21.568 22.624 36.620 1.00 0.00 ATOM 416 CA LEU 51 21.202 22.091 35.313 1.00 0.00 ATOM 417 CB LEU 51 19.712 21.755 35.314 1.00 0.00 ATOM 418 CG LEU 51 19.279 20.697 36.317 1.00 0.00 ATOM 419 CD1 LEU 51 17.794 20.460 36.150 1.00 0.00 ATOM 420 CD2 LEU 51 19.952 19.370 35.998 1.00 0.00 ATOM 421 O LEU 51 20.887 24.288 34.402 1.00 0.00 ATOM 422 C LEU 51 21.464 23.204 34.305 1.00 0.00 ATOM 423 N GLU 52 22.335 22.937 33.338 1.00 0.00 ATOM 424 CA GLU 52 22.656 23.920 32.331 1.00 0.00 ATOM 425 CB GLU 52 24.202 24.138 32.321 1.00 0.00 ATOM 426 CG GLU 52 24.660 25.130 31.278 1.00 0.00 ATOM 427 CD GLU 52 26.146 25.315 31.328 1.00 0.00 ATOM 428 OE1 GLU 52 26.915 24.360 31.661 1.00 0.00 ATOM 429 OE2 GLU 52 26.531 26.440 31.095 1.00 0.00 ATOM 430 O GLU 52 22.624 22.456 30.453 1.00 0.00 ATOM 431 C GLU 52 22.165 23.466 30.987 1.00 0.00 ATOM 432 N PHE 53 21.220 24.212 30.424 1.00 0.00 ATOM 433 CA PHE 53 20.666 23.874 29.119 1.00 0.00 ATOM 434 CB PHE 53 19.140 23.941 29.162 1.00 0.00 ATOM 435 CG PHE 53 18.506 23.626 27.828 1.00 0.00 ATOM 436 CD1 PHE 53 18.629 22.348 27.263 1.00 0.00 ATOM 437 CD2 PHE 53 17.810 24.606 27.132 1.00 0.00 ATOM 438 CE1 PHE 53 18.089 22.067 26.033 1.00 0.00 ATOM 439 CE2 PHE 53 17.263 24.327 25.886 1.00 0.00 ATOM 440 CZ PHE 53 17.402 23.048 25.343 1.00 0.00 ATOM 441 O PHE 53 20.960 26.130 28.442 1.00 0.00 ATOM 442 C PHE 53 21.155 24.949 28.161 1.00 0.00 ATOM 443 N THR 54 21.579 24.500 26.982 1.00 0.00 ATOM 444 CA THR 54 22.069 25.405 25.935 1.00 0.00 ATOM 445 CB THR 54 23.552 25.174 25.624 1.00 0.00 ATOM 446 CG2 THR 54 24.083 26.161 24.577 1.00 0.00 ATOM 447 OG1 THR 54 24.323 25.234 26.829 1.00 0.00 ATOM 448 O THR 54 21.219 24.062 24.119 1.00 0.00 ATOM 449 C THR 54 21.247 25.172 24.657 1.00 0.00 ATOM 450 N ALA 55 20.761 26.285 24.117 1.00 0.00 ATOM 451 CA ALA 55 20.067 26.276 22.827 1.00 0.00 ATOM 452 CB ALA 55 18.625 26.705 23.020 1.00 0.00 ATOM 453 O ALA 55 20.879 28.406 22.051 1.00 0.00 ATOM 454 C ALA 55 20.759 27.204 21.834 1.00 0.00 ATOM 455 N GLN 56 21.123 26.612 20.709 1.00 0.00 ATOM 456 CA GLN 56 21.847 27.363 19.664 1.00 0.00 ATOM 457 CB GLN 56 23.235 26.745 19.462 1.00 0.00 ATOM 458 CG GLN 56 23.991 26.718 20.795 1.00 0.00 ATOM 459 CD GLN 56 25.244 25.881 20.717 1.00 0.00 ATOM 460 OE1 GLN 56 25.278 24.662 20.643 1.00 0.00 ATOM 461 NE2 GLN 56 26.353 26.567 20.785 1.00 0.00 ATOM 462 O GLN 56 20.688 26.365 17.815 1.00 0.00 ATOM 463 C GLN 56 21.005 27.407 18.393 1.00 0.00 ATOM 464 N LYS 57 20.647 28.610 17.959 1.00 0.00 ATOM 465 CA LYS 57 19.839 28.773 16.745 1.00 0.00 ATOM 466 CB LYS 57 19.430 30.258 16.598 1.00 0.00 ATOM 467 CG LYS 57 18.613 30.625 15.352 1.00 0.00 ATOM 468 CD LYS 57 18.144 32.089 15.469 1.00 0.00 ATOM 469 CE LYS 57 18.074 32.821 14.122 1.00 0.00 ATOM 470 NZ LYS 57 17.224 32.139 13.144 1.00 0.00 ATOM 471 O LYS 57 21.785 28.498 15.348 1.00 0.00 ATOM 472 C LYS 57 20.601 28.200 15.534 1.00 0.00 ATOM 473 N ASN 58 19.889 27.364 14.771 1.00 0.00 ATOM 474 CA ASN 58 20.381 26.620 13.573 1.00 0.00 ATOM 475 CB ASN 58 21.250 27.412 12.610 1.00 0.00 ATOM 476 CG ASN 58 20.566 28.721 12.299 1.00 0.00 ATOM 477 ND2 ASN 58 21.344 29.754 12.507 1.00 0.00 ATOM 478 OD1 ASN 58 19.376 28.838 12.042 1.00 0.00 ATOM 479 O ASN 58 21.485 24.606 12.884 1.00 0.00 ATOM 480 C ASN 58 21.123 25.312 13.825 1.00 0.00 ATOM 481 N LEU 59 21.349 24.992 15.095 1.00 0.00 ATOM 482 CA LEU 59 22.036 23.781 15.440 1.00 0.00 ATOM 483 CB LEU 59 22.845 23.680 16.732 1.00 0.00 ATOM 484 CG LEU 59 24.293 23.887 16.290 1.00 0.00 ATOM 485 CD1 LEU 59 25.185 23.958 17.524 1.00 0.00 ATOM 486 CD2 LEU 59 24.769 22.777 15.335 1.00 0.00 ATOM 487 O LEU 59 20.057 22.454 15.561 1.00 0.00 ATOM 488 C LEU 59 21.206 22.565 15.128 1.00 0.00 ATOM 489 N ARG 60 21.782 21.637 14.370 1.00 0.00 ATOM 490 CA ARG 60 21.076 20.415 14.003 1.00 0.00 ATOM 491 CB ARG 60 21.850 19.569 13.071 1.00 0.00 ATOM 492 CG ARG 60 21.922 20.109 11.650 1.00 0.00 ATOM 493 CD ARG 60 20.554 20.139 10.913 1.00 0.00 ATOM 494 NE ARG 60 19.975 18.802 10.873 1.00 0.00 ATOM 495 CZ ARG 60 20.293 17.845 10.085 1.00 0.00 ATOM 496 NH1 ARG 60 21.141 18.046 9.052 1.00 0.00 ATOM 497 NH2 ARG 60 19.803 16.635 10.277 1.00 0.00 ATOM 498 O ARG 60 19.704 19.137 15.465 1.00 0.00 ATOM 499 C ARG 60 20.831 19.567 15.254 1.00 0.00 ATOM 500 N LYS 61 21.851 19.426 16.113 1.00 0.00 ATOM 501 CA LYS 61 21.692 18.659 17.369 1.00 0.00 ATOM 502 CB LYS 61 23.119 18.202 17.819 1.00 0.00 ATOM 503 CG LYS 61 23.775 17.214 16.859 1.00 0.00 ATOM 504 CD LYS 61 25.098 16.667 17.380 1.00 0.00 ATOM 505 CE LYS 61 26.182 17.731 17.411 1.00 0.00 ATOM 506 NZ LYS 61 27.508 17.130 17.734 1.00 0.00 ATOM 507 O LYS 61 20.273 18.713 19.289 1.00 0.00 ATOM 508 C LYS 61 20.771 19.349 18.372 1.00 0.00 ATOM 509 N GLU 62 20.669 20.680 18.188 1.00 0.00 ATOM 510 CA GLU 62 19.858 21.583 18.985 1.00 0.00 ATOM 511 CB GLU 62 19.605 23.018 18.536 1.00 0.00 ATOM 512 CG GLU 62 18.371 23.081 17.643 1.00 0.00 ATOM 513 CD GLU 62 18.123 24.494 17.126 1.00 0.00 ATOM 514 OE1 GLU 62 17.945 25.386 17.972 1.00 0.00 ATOM 515 OE2 GLU 62 17.955 24.615 15.882 1.00 0.00 ATOM 516 O GLU 62 17.553 21.072 19.683 1.00 0.00 ATOM 517 C GLU 62 18.736 20.929 19.784 1.00 0.00 ATOM 518 N ALA 63 19.952 21.341 20.770 1.00 0.00 ATOM 519 CA ALA 63 19.868 21.334 22.219 1.00 0.00 ATOM 520 CB ALA 63 18.722 20.539 22.767 1.00 0.00 ATOM 521 O ALA 63 21.250 19.401 22.523 1.00 0.00 ATOM 522 C ALA 63 21.047 20.577 22.797 1.00 0.00 ATOM 523 N PHE 64 21.550 21.190 23.855 1.00 0.00 ATOM 524 CA PHE 64 22.536 20.536 24.720 1.00 0.00 ATOM 525 CB PHE 64 23.915 21.140 24.521 1.00 0.00 ATOM 526 CG PHE 64 24.431 20.811 23.127 1.00 0.00 ATOM 527 CD1 PHE 64 25.194 19.680 22.951 1.00 0.00 ATOM 528 CD2 PHE 64 24.121 21.644 22.053 1.00 0.00 ATOM 529 CE1 PHE 64 25.667 19.392 21.689 1.00 0.00 ATOM 530 CE2 PHE 64 24.584 21.327 20.790 1.00 0.00 ATOM 531 CZ PHE 64 25.369 20.199 20.608 1.00 0.00 ATOM 532 O PHE 64 21.528 21.758 26.499 1.00 0.00 ATOM 533 C PHE 64 22.140 20.747 26.181 1.00 0.00 ATOM 534 N LEU 65 22.680 19.900 27.040 1.00 0.00 ATOM 535 CA LEU 65 22.437 19.995 28.492 1.00 0.00 ATOM 536 CB LEU 65 21.151 19.259 28.860 1.00 0.00 ATOM 537 CG LEU 65 20.781 19.435 30.334 1.00 0.00 ATOM 538 CD1 LEU 65 20.054 20.763 30.564 1.00 0.00 ATOM 539 CD2 LEU 65 19.945 18.262 30.835 1.00 0.00 ATOM 540 O LEU 65 24.088 18.303 28.837 1.00 0.00 ATOM 541 C LEU 65 23.573 19.333 29.272 1.00 0.00 ATOM 542 N ARG 66 23.845 19.876 30.447 1.00 0.00 ATOM 543 CA ARG 66 24.754 19.219 31.414 1.00 0.00 ATOM 544 CB ARG 66 26.221 19.642 31.314 1.00 0.00 ATOM 545 CG ARG 66 26.843 19.337 29.944 1.00 0.00 ATOM 546 CD ARG 66 28.329 19.669 29.976 1.00 0.00 ATOM 547 NE ARG 66 29.024 19.200 28.775 1.00 0.00 ATOM 548 CZ ARG 66 29.257 19.963 27.711 1.00 0.00 ATOM 549 NH1 ARG 66 28.774 21.194 27.588 1.00 0.00 ATOM 550 NH2 ARG 66 29.937 19.431 26.735 1.00 0.00 ATOM 551 O ARG 66 23.934 20.557 33.238 1.00 0.00 ATOM 552 C ARG 66 24.306 19.445 32.855 1.00 0.00 ATOM 553 N VAL 67 24.291 18.377 33.601 1.00 0.00 ATOM 554 CA VAL 67 23.913 18.423 35.004 1.00 0.00 ATOM 555 CB VAL 67 22.955 17.265 35.322 1.00 0.00 ATOM 556 CG1 VAL 67 22.459 17.324 36.771 1.00 0.00 ATOM 557 CG2 VAL 67 21.767 17.255 34.360 1.00 0.00 ATOM 558 O VAL 67 25.996 17.391 35.591 1.00 0.00 ATOM 559 C VAL 67 25.202 18.305 35.811 1.00 0.00 ATOM 560 N TYR 68 25.452 19.359 36.552 1.00 0.00 ATOM 561 CA TYR 68 26.669 19.427 37.369 1.00 0.00 ATOM 562 CB TYR 68 27.296 20.807 37.260 1.00 0.00 ATOM 563 CG TYR 68 27.858 21.054 35.880 1.00 0.00 ATOM 564 CD1 TYR 68 27.071 21.605 34.866 1.00 0.00 ATOM 565 CD2 TYR 68 29.177 20.718 35.581 1.00 0.00 ATOM 566 CE1 TYR 68 27.600 21.821 33.587 1.00 0.00 ATOM 567 CE2 TYR 68 29.704 20.919 34.325 1.00 0.00 ATOM 568 CZ TYR 68 28.920 21.477 33.333 1.00 0.00 ATOM 569 OH TYR 68 29.460 21.670 32.081 1.00 0.00 ATOM 570 O TYR 68 25.237 19.821 39.252 1.00 0.00 ATOM 571 C TYR 68 26.266 19.296 38.827 1.00 0.00 ATOM 572 N HIS 69 26.924 18.364 39.478 1.00 0.00 ATOM 573 CA HIS 69 26.724 18.324 40.929 1.00 0.00 ATOM 574 CB HIS 69 26.749 16.956 41.590 1.00 0.00 ATOM 575 CG HIS 69 25.496 16.237 41.239 1.00 0.00 ATOM 576 CD2 HIS 69 24.265 16.307 41.766 1.00 0.00 ATOM 577 ND1 HIS 69 25.444 15.386 40.175 1.00 0.00 ATOM 578 CE1 HIS 69 24.215 14.904 40.114 1.00 0.00 ATOM 579 NE2 HIS 69 23.482 15.483 41.035 1.00 0.00 ATOM 580 O HIS 69 28.639 19.781 40.857 1.00 0.00 ATOM 581 C HIS 69 27.680 19.387 41.529 1.00 0.00 ATOM 582 N SER 70 27.728 19.696 42.817 1.00 0.00 ATOM 583 CA SER 70 28.908 20.302 43.418 1.00 0.00 ATOM 584 CB SER 70 28.742 20.650 44.824 1.00 0.00 ATOM 585 OG SER 70 27.705 21.608 44.931 1.00 0.00 ATOM 586 O SER 70 31.175 19.478 43.458 1.00 0.00 ATOM 587 C SER 70 29.985 19.233 43.198 1.00 0.00 ATOM 588 N ASP 71 29.495 18.052 42.631 1.00 0.00 ATOM 589 CA ASP 71 30.387 16.922 42.407 1.00 0.00 ATOM 590 CB ASP 71 29.877 15.750 43.238 1.00 0.00 ATOM 591 CG ASP 71 29.633 16.168 44.681 1.00 0.00 ATOM 592 OD1 ASP 71 30.520 16.882 45.281 1.00 0.00 ATOM 593 OD2 ASP 71 28.549 15.847 45.238 1.00 0.00 ATOM 594 O ASP 71 29.571 16.759 40.160 1.00 0.00 ATOM 595 C ASP 71 30.471 16.490 40.961 1.00 0.00 ATOM 596 N LYS 72 31.566 15.865 40.580 1.00 0.00 ATOM 597 CA LYS 72 31.874 15.382 39.256 1.00 0.00 ATOM 598 CB LYS 72 30.800 14.776 38.354 1.00 0.00 ATOM 599 CG LYS 72 29.960 13.682 39.001 1.00 0.00 ATOM 600 CD LYS 72 30.674 12.514 39.661 1.00 0.00 ATOM 601 CE LYS 72 29.740 11.563 40.373 1.00 0.00 ATOM 602 NZ LYS 72 30.486 10.470 40.964 1.00 0.00 ATOM 603 O LYS 72 33.423 15.974 37.559 1.00 0.00 ATOM 604 C LYS 72 32.615 16.383 38.388 1.00 0.00 ATOM 605 N LYS 73 32.298 17.660 38.577 1.00 0.00 ATOM 606 CA LYS 73 33.096 18.750 38.011 1.00 0.00 ATOM 607 CB LYS 73 34.387 18.693 38.864 1.00 0.00 ATOM 608 CG LYS 73 34.200 18.637 40.388 1.00 0.00 ATOM 609 CD LYS 73 35.548 18.556 41.091 1.00 0.00 ATOM 610 CE LYS 73 35.381 18.157 42.550 1.00 0.00 ATOM 611 NZ LYS 73 36.695 17.741 43.045 1.00 0.00 ATOM 612 O LYS 73 34.283 18.513 35.900 1.00 0.00 ATOM 613 C LYS 73 33.195 18.575 36.473 1.00 0.00 ATOM 614 N GLY 74 32.028 18.362 35.834 1.00 0.00 ATOM 615 CA GLY 74 31.888 18.147 34.380 1.00 0.00 ATOM 616 O GLY 74 29.530 17.818 34.722 1.00 0.00 ATOM 617 C GLY 74 30.480 17.713 33.951 1.00 0.00 ATOM 618 N VAL 75 30.386 17.162 32.744 1.00 0.00 ATOM 619 CA VAL 75 29.086 16.690 32.213 1.00 0.00 ATOM 620 CB VAL 75 29.079 16.467 30.683 1.00 0.00 ATOM 621 CG1 VAL 75 29.981 15.344 30.179 1.00 0.00 ATOM 622 CG2 VAL 75 27.658 16.182 30.175 1.00 0.00 ATOM 623 O VAL 75 29.461 14.532 33.177 1.00 0.00 ATOM 624 C VAL 75 28.663 15.433 32.963 1.00 0.00 ATOM 625 N SER 76 27.422 15.437 33.410 1.00 0.00 ATOM 626 CA SER 76 26.888 14.261 34.110 1.00 0.00 ATOM 627 CB SER 76 26.967 14.583 35.605 1.00 0.00 ATOM 628 OG SER 76 26.505 13.501 36.407 1.00 0.00 ATOM 629 O SER 76 25.083 12.766 33.829 1.00 0.00 ATOM 630 C SER 76 25.594 13.804 33.444 1.00 0.00 ATOM 631 N ALA 77 25.110 14.561 32.429 1.00 0.00 ATOM 632 CA ALA 77 23.941 14.149 31.657 1.00 0.00 ATOM 633 CB ALA 77 22.738 14.425 32.509 1.00 0.00 ATOM 634 O ALA 77 24.445 16.083 30.330 1.00 0.00 ATOM 635 C ALA 77 23.814 15.029 30.419 1.00 0.00 ATOM 636 N TRP 78 22.998 14.596 29.463 1.00 0.00 ATOM 637 CA TRP 78 22.792 15.365 28.220 1.00 0.00 ATOM 638 CB TRP 78 24.049 15.328 27.315 1.00 0.00 ATOM 639 CG TRP 78 24.435 13.934 26.785 1.00 0.00 ATOM 640 CD1 TRP 78 25.085 12.930 27.473 1.00 0.00 ATOM 641 CD2 TRP 78 24.201 13.423 25.463 1.00 0.00 ATOM 642 CE2 TRP 78 24.740 12.110 25.417 1.00 0.00 ATOM 643 CE3 TRP 78 23.610 13.953 24.301 1.00 0.00 ATOM 644 NE1 TRP 78 25.260 11.837 26.653 1.00 0.00 ATOM 645 CZ2 TRP 78 24.671 11.313 24.275 1.00 0.00 ATOM 646 CZ3 TRP 78 23.544 13.148 23.164 1.00 0.00 ATOM 647 CH2 TRP 78 24.065 11.845 23.164 1.00 0.00 ATOM 648 O TRP 78 20.968 13.854 27.860 1.00 0.00 ATOM 649 C TRP 78 21.517 14.906 27.530 1.00 0.00 ATOM 650 N GLU 79 21.046 15.695 26.570 1.00 0.00 ATOM 651 CA GLU 79 19.831 15.353 25.838 1.00 0.00 ATOM 652 CB GLU 79 18.540 15.682 26.607 1.00 0.00 ATOM 653 CG GLU 79 17.279 15.241 25.859 1.00 0.00 ATOM 654 CD GLU 79 17.272 13.732 25.586 1.00 0.00 ATOM 655 OE1 GLU 79 18.062 13.271 24.744 1.00 0.00 ATOM 656 OE2 GLU 79 16.572 13.029 26.348 1.00 0.00 ATOM 657 O GLU 79 20.237 17.270 24.455 1.00 0.00 ATOM 658 C GLU 79 19.877 16.094 24.486 1.00 0.00 ATOM 659 N GLU 80 19.481 15.389 23.430 1.00 0.00 ATOM 660 CA GLU 80 19.432 15.958 22.076 1.00 0.00 ATOM 661 CB GLU 80 20.381 15.150 21.192 1.00 0.00 ATOM 662 CG GLU 80 20.505 15.681 19.760 1.00 0.00 ATOM 663 CD GLU 80 21.475 14.834 18.918 1.00 0.00 ATOM 664 OE1 GLU 80 22.070 13.851 19.428 1.00 0.00 ATOM 665 OE2 GLU 80 21.644 15.186 17.731 1.00 0.00 ATOM 666 O GLU 80 17.264 14.938 21.665 1.00 0.00 ATOM 667 C GLU 80 17.972 15.946 21.598 1.00 0.00 ATOM 668 N VAL 81 17.550 17.092 21.078 1.00 0.00 ATOM 669 CA VAL 81 16.142 17.277 20.674 1.00 0.00 ATOM 670 CB VAL 81 15.203 17.709 21.825 1.00 0.00 ATOM 671 CG1 VAL 81 15.205 16.727 22.975 1.00 0.00 ATOM 672 CG2 VAL 81 15.598 18.993 22.506 1.00 0.00 ATOM 673 O VAL 81 17.043 18.697 18.941 1.00 0.00 ATOM 674 C VAL 81 16.040 18.249 19.484 1.00 0.00 ATOM 675 N LYS 82 14.807 18.490 19.063 1.00 0.00 ATOM 676 CA LYS 82 14.538 19.539 18.074 1.00 0.00 ATOM 677 CB LYS 82 13.190 19.338 17.383 1.00 0.00 ATOM 678 CG LYS 82 13.165 18.059 16.530 1.00 0.00 ATOM 679 CD LYS 82 11.800 17.891 15.875 1.00 0.00 ATOM 680 CE LYS 82 11.758 16.628 15.019 1.00 0.00 ATOM 681 NZ LYS 82 10.419 16.397 14.458 1.00 0.00 ATOM 682 O LYS 82 14.394 21.139 19.908 1.00 0.00 ATOM 683 C LYS 82 14.524 20.915 18.728 1.00 0.00 ATOM 684 N LYS 83 14.706 21.957 17.848 1.00 0.00 ATOM 685 CA LYS 83 14.736 23.349 18.284 1.00 0.00 ATOM 686 CB LYS 83 14.731 24.084 16.929 1.00 0.00 ATOM 687 CG LYS 83 15.386 23.368 15.733 1.00 0.00 ATOM 688 CD LYS 83 15.161 24.079 14.406 1.00 0.00 ATOM 689 CE LYS 83 15.908 23.316 13.317 1.00 0.00 ATOM 690 NZ LYS 83 15.835 23.918 11.983 1.00 0.00 ATOM 691 O LYS 83 13.511 24.214 20.156 1.00 0.00 ATOM 692 C LYS 83 13.458 23.686 19.044 1.00 0.00 ATOM 693 N ASP 84 12.312 23.380 18.445 1.00 0.00 ATOM 694 CA ASP 84 10.990 23.659 19.090 1.00 0.00 ATOM 695 CB ASP 84 9.848 23.399 18.109 1.00 0.00 ATOM 696 CG ASP 84 9.894 24.312 16.883 1.00 0.00 ATOM 697 OD1 ASP 84 10.528 25.383 16.932 1.00 0.00 ATOM 698 OD2 ASP 84 9.418 23.826 15.834 1.00 0.00 ATOM 699 O ASP 84 9.965 23.240 21.219 1.00 0.00 ATOM 700 C ASP 84 10.788 22.870 20.380 1.00 0.00 ATOM 701 N GLU 85 11.538 21.784 20.537 1.00 0.00 ATOM 702 CA GLU 85 11.431 20.948 21.741 1.00 0.00 ATOM 703 CB GLU 85 11.706 19.511 21.330 1.00 0.00 ATOM 704 CG GLU 85 10.670 18.967 20.319 1.00 0.00 ATOM 705 CD GLU 85 11.087 17.590 19.765 1.00 0.00 ATOM 706 OE1 GLU 85 12.284 17.240 19.855 1.00 0.00 ATOM 707 OE2 GLU 85 10.212 16.902 19.182 1.00 0.00 ATOM 708 O GLU 85 12.307 20.928 23.993 1.00 0.00 ATOM 709 C GLU 85 12.372 21.432 22.871 1.00 0.00 ATOM 710 N LEU 86 13.229 22.401 22.565 1.00 0.00 ATOM 711 CA LEU 86 14.156 22.931 23.558 1.00 0.00 ATOM 712 CB LEU 86 15.133 23.979 22.988 1.00 0.00 ATOM 713 CG LEU 86 15.825 23.561 21.705 1.00 0.00 ATOM 714 CD1 LEU 86 17.082 24.354 21.403 1.00 0.00 ATOM 715 CD2 LEU 86 16.205 22.140 21.865 1.00 0.00 ATOM 716 O LEU 86 13.567 22.912 25.857 1.00 0.00 ATOM 717 C LEU 86 13.480 23.509 24.781 1.00 0.00 ATOM 718 N PRO 87 12.750 24.614 24.605 1.00 0.00 ATOM 719 CA PRO 87 12.117 25.239 25.758 1.00 0.00 ATOM 720 CB PRO 87 11.347 26.432 25.051 1.00 0.00 ATOM 721 CG PRO 87 12.081 26.629 23.769 1.00 0.00 ATOM 722 CD PRO 87 12.489 25.234 23.356 1.00 0.00 ATOM 723 O PRO 87 11.348 24.319 27.836 1.00 0.00 ATOM 724 C PRO 87 11.340 24.238 26.606 1.00 0.00 ATOM 725 N ALA 88 10.669 23.297 25.950 1.00 0.00 ATOM 726 CA ALA 88 9.878 22.269 26.666 1.00 0.00 ATOM 727 CB ALA 88 9.158 21.379 25.666 1.00 0.00 ATOM 728 O ALA 88 10.524 21.493 28.843 1.00 0.00 ATOM 729 C ALA 88 10.796 21.541 27.643 1.00 0.00 ATOM 730 N LYS 89 11.883 20.975 27.127 1.00 0.00 ATOM 731 CA LYS 89 12.867 20.231 27.984 1.00 0.00 ATOM 732 CB LYS 89 13.923 19.482 27.176 1.00 0.00 ATOM 733 CG LYS 89 13.369 18.298 26.397 1.00 0.00 ATOM 734 CD LYS 89 12.850 17.261 27.381 1.00 0.00 ATOM 735 CE LYS 89 12.073 16.205 26.634 1.00 0.00 ATOM 736 NZ LYS 89 11.458 15.309 27.613 1.00 0.00 ATOM 737 O LYS 89 13.760 20.607 30.198 1.00 0.00 ATOM 738 C LYS 89 13.536 21.089 29.087 1.00 0.00 ATOM 739 N VAL 90 13.847 22.341 28.769 1.00 0.00 ATOM 740 CA VAL 90 14.477 23.233 29.735 1.00 0.00 ATOM 741 CB VAL 90 15.017 24.550 29.132 1.00 0.00 ATOM 742 CG1 VAL 90 13.967 25.490 28.542 1.00 0.00 ATOM 743 CG2 VAL 90 15.842 25.287 30.190 1.00 0.00 ATOM 744 O VAL 90 13.843 23.234 32.049 1.00 0.00 ATOM 745 C VAL 90 13.506 23.465 30.888 1.00 0.00 ATOM 746 N LYS 91 12.299 23.920 30.565 1.00 0.00 ATOM 747 CA LYS 91 11.277 24.179 31.591 1.00 0.00 ATOM 748 CB LYS 91 10.015 24.768 30.992 1.00 0.00 ATOM 749 CG LYS 91 10.205 26.104 30.300 1.00 0.00 ATOM 750 CD LYS 91 8.908 26.668 29.771 1.00 0.00 ATOM 751 CE LYS 91 9.098 28.008 29.075 1.00 0.00 ATOM 752 NZ LYS 91 7.839 28.453 28.395 1.00 0.00 ATOM 753 O LYS 91 10.840 22.949 33.606 1.00 0.00 ATOM 754 C LYS 91 11.011 22.905 32.386 1.00 0.00 ATOM 755 N GLU 92 10.976 21.770 31.694 1.00 0.00 ATOM 756 CA GLU 92 10.728 20.475 32.356 1.00 0.00 ATOM 757 CB GLU 92 10.813 19.308 31.384 1.00 0.00 ATOM 758 CG GLU 92 10.378 18.002 32.040 1.00 0.00 ATOM 759 CD GLU 92 10.591 16.871 31.041 1.00 0.00 ATOM 760 OE1 GLU 92 9.875 16.877 30.023 1.00 0.00 ATOM 761 OE2 GLU 92 11.565 16.106 31.204 1.00 0.00 ATOM 762 O GLU 92 11.493 19.845 34.540 1.00 0.00 ATOM 763 C GLU 92 11.803 20.205 33.404 1.00 0.00 ATOM 764 N LYS 93 13.064 20.380 33.021 1.00 0.00 ATOM 765 CA LYS 93 14.187 20.151 33.949 1.00 0.00 ATOM 766 CB LYS 93 15.503 20.100 33.173 1.00 0.00 ATOM 767 CG LYS 93 15.488 18.999 32.107 1.00 0.00 ATOM 768 CD LYS 93 15.113 17.648 32.696 1.00 0.00 ATOM 769 CE LYS 93 15.268 16.555 31.659 1.00 0.00 ATOM 770 NZ LYS 93 15.159 15.250 32.324 1.00 0.00 ATOM 771 O LYS 93 14.544 20.827 36.228 1.00 0.00 ATOM 772 C LYS 93 14.176 21.160 35.101 1.00 0.00 ATOM 773 N LEU 94 13.753 22.388 34.815 1.00 0.00 ATOM 774 CA LEU 94 13.699 23.426 35.837 1.00 0.00 ATOM 775 CB LEU 94 13.368 24.783 35.226 1.00 0.00 ATOM 776 CG LEU 94 14.332 25.270 34.161 1.00 0.00 ATOM 777 CD1 LEU 94 13.831 26.605 33.669 1.00 0.00 ATOM 778 CD2 LEU 94 15.704 25.533 34.719 1.00 0.00 ATOM 779 O LEU 94 12.674 23.699 37.991 1.00 0.00 ATOM 780 C LEU 94 12.600 23.187 36.867 1.00 0.00 ATOM 781 N GLY 95 11.592 22.448 36.424 1.00 0.00 ATOM 782 CA GLY 95 10.370 22.226 37.212 1.00 0.00 ATOM 783 O GLY 95 9.003 23.793 38.438 1.00 0.00 ATOM 784 C GLY 95 9.549 23.518 37.377 1.00 0.00 ATOM 785 N VAL 96 9.561 24.333 36.325 1.00 0.00 ATOM 786 CA VAL 96 8.955 25.682 36.344 1.00 0.00 ATOM 787 CB VAL 96 10.041 26.775 36.301 1.00 0.00 ATOM 788 CG1 VAL 96 10.717 26.887 34.935 1.00 0.00 ATOM 789 CG2 VAL 96 9.436 28.144 36.635 1.00 0.00 ATOM 790 O VAL 96 8.187 25.300 34.099 1.00 0.00 ATOM 791 C VAL 96 7.987 25.871 35.164 1.00 0.00 ATOM 792 N LYS 97 7.102 26.838 35.362 1.00 0.00 ATOM 793 CA LYS 97 6.213 27.365 34.329 1.00 0.00 ATOM 794 CB LYS 97 4.868 27.785 34.947 1.00 0.00 ATOM 795 CG LYS 97 4.939 29.063 35.803 1.00 0.00 ATOM 796 CD LYS 97 5.485 28.783 37.198 1.00 0.00 ATOM 797 CE LYS 97 5.781 30.087 37.952 1.00 0.00 ATOM 798 NZ LYS 97 6.946 30.753 37.367 1.00 0.00 ATOM 799 O LYS 97 7.923 29.043 33.899 1.00 0.00 ATOM 800 C LYS 97 6.835 28.535 33.535 1.00 0.00 TER END