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 1 Thu Jul 24 12:05:46 2008 MODEL 1 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 9.125 35.840 36.332 1.00 0.00 ATOM 2 CA MET 1 10.564 36.122 36.235 1.00 0.00 ATOM 3 CB MET 1 11.165 35.415 35.020 1.00 0.00 ATOM 4 CG MET 1 10.289 35.354 33.778 1.00 0.00 ATOM 5 SD MET 1 11.090 34.375 32.466 1.00 0.00 ATOM 6 CE MET 1 11.085 32.791 33.275 1.00 0.00 ATOM 7 O MET 1 9.929 38.233 35.430 1.00 0.00 ATOM 8 C MET 1 10.800 37.595 36.027 1.00 0.00 ATOM 9 N ASP 2 11.957 38.051 36.478 1.00 0.00 ATOM 10 CA ASP 2 12.342 39.449 36.261 1.00 0.00 ATOM 11 CB ASP 2 13.032 39.994 37.512 1.00 0.00 ATOM 12 CG ASP 2 13.316 41.491 37.404 1.00 0.00 ATOM 13 OD1 ASP 2 13.327 42.007 36.270 1.00 0.00 ATOM 14 OD2 ASP 2 13.536 42.106 38.461 1.00 0.00 ATOM 15 O ASP 2 14.368 39.065 35.033 1.00 0.00 ATOM 16 C ASP 2 13.213 39.492 35.010 1.00 0.00 ATOM 17 N LEU 3 12.651 39.989 33.912 1.00 0.00 ATOM 18 CA LEU 3 13.389 40.061 32.634 1.00 0.00 ATOM 19 CB LEU 3 12.450 39.871 31.435 1.00 0.00 ATOM 20 CG LEU 3 13.110 40.163 30.074 1.00 0.00 ATOM 21 CD1 LEU 3 14.180 39.139 29.710 1.00 0.00 ATOM 22 CD2 LEU 3 12.061 40.227 28.963 1.00 0.00 ATOM 23 O LEU 3 13.304 42.455 32.624 1.00 0.00 ATOM 24 C LEU 3 13.991 41.446 32.462 1.00 0.00 ATOM 25 N ASN 4 15.278 41.496 32.131 1.00 0.00 ATOM 26 CA ASN 4 15.959 42.771 31.937 1.00 0.00 ATOM 27 CB ASN 4 17.032 43.074 32.973 1.00 0.00 ATOM 28 CG ASN 4 16.362 43.222 34.324 1.00 0.00 ATOM 29 ND2 ASN 4 16.713 42.288 35.147 1.00 0.00 ATOM 30 OD1 ASN 4 15.759 44.211 34.711 1.00 0.00 ATOM 31 O ASN 4 17.220 41.799 30.141 1.00 0.00 ATOM 32 C ASN 4 16.588 42.774 30.547 1.00 0.00 ATOM 33 N ARG 5 16.413 43.873 29.820 1.00 0.00 ATOM 34 CA ARG 5 16.957 43.970 28.529 1.00 0.00 ATOM 35 CB ARG 5 15.933 44.643 27.618 1.00 0.00 ATOM 36 CG ARG 5 15.752 46.145 27.811 1.00 0.00 ATOM 37 CD ARG 5 14.508 46.682 27.121 1.00 0.00 ATOM 38 NE ARG 5 14.611 46.463 25.672 1.00 0.00 ATOM 39 CZ ARG 5 15.107 47.337 24.796 1.00 0.00 ATOM 40 NH1 ARG 5 15.625 48.490 25.161 1.00 0.00 ATOM 41 NH2 ARG 5 14.991 47.102 23.498 1.00 0.00 ATOM 42 O ARG 5 18.649 45.671 28.556 1.00 0.00 ATOM 43 C ARG 5 18.399 44.466 28.536 1.00 0.00 ATOM 44 N MET 6 19.346 43.533 28.521 1.00 0.00 ATOM 45 CA MET 6 20.756 43.892 28.523 1.00 0.00 ATOM 46 CB MET 6 21.614 42.678 28.916 1.00 0.00 ATOM 47 CG MET 6 21.366 42.147 30.309 1.00 0.00 ATOM 48 SD MET 6 22.732 41.112 30.884 1.00 0.00 ATOM 49 CE MET 6 22.548 39.657 29.851 1.00 0.00 ATOM 50 O MET 6 22.038 45.386 27.124 1.00 0.00 ATOM 51 C MET 6 21.112 44.576 27.182 1.00 0.00 ATOM 52 N GLY 7 20.377 44.245 26.125 1.00 0.00 ATOM 53 CA GLY 7 20.628 44.835 24.815 1.00 0.00 ATOM 54 O GLY 7 18.598 43.726 24.174 1.00 0.00 ATOM 55 C GLY 7 19.546 44.428 23.819 1.00 0.00 ATOM 56 N LYS 8 19.689 44.869 22.572 1.00 0.00 ATOM 57 CA LYS 8 18.717 44.538 21.538 1.00 0.00 ATOM 58 CB LYS 8 19.136 45.170 20.211 1.00 0.00 ATOM 59 CG LYS 8 18.902 46.677 20.204 1.00 0.00 ATOM 60 CD LYS 8 19.145 47.387 18.881 1.00 0.00 ATOM 61 CE LYS 8 18.718 48.840 19.086 1.00 0.00 ATOM 62 NZ LYS 8 19.115 49.691 17.961 1.00 0.00 ATOM 63 O LYS 8 17.635 42.407 21.393 1.00 0.00 ATOM 64 C LYS 8 18.701 43.018 21.304 1.00 0.00 ATOM 65 N ASP 9 19.860 42.389 21.429 1.00 0.00 ATOM 66 CA ASP 9 19.991 40.938 21.180 1.00 0.00 ATOM 67 CB ASP 9 21.169 40.669 20.244 1.00 0.00 ATOM 68 CG ASP 9 20.976 41.308 18.856 1.00 0.00 ATOM 69 OD1 ASP 9 19.921 41.085 18.231 1.00 0.00 ATOM 70 OD2 ASP 9 21.782 42.196 18.485 1.00 0.00 ATOM 71 O ASP 9 19.753 39.006 22.614 1.00 0.00 ATOM 72 C ASP 9 20.194 40.149 22.478 1.00 0.00 ATOM 73 N GLU 10 20.701 40.845 23.491 1.00 0.00 ATOM 74 CA GLU 10 21.104 40.200 24.746 1.00 0.00 ATOM 75 CB GLU 10 22.535 40.599 25.096 1.00 0.00 ATOM 76 CG GLU 10 23.537 39.957 24.122 1.00 0.00 ATOM 77 CD GLU 10 24.979 40.467 24.272 1.00 0.00 ATOM 78 OE1 GLU 10 25.907 39.719 23.880 1.00 0.00 ATOM 79 OE2 GLU 10 25.192 41.453 25.019 1.00 0.00 ATOM 80 O GLU 10 19.824 41.631 26.185 1.00 0.00 ATOM 81 C GLU 10 20.087 40.476 25.847 1.00 0.00 ATOM 82 N TYR 11 19.515 39.414 26.407 1.00 0.00 ATOM 83 CA TYR 11 18.526 39.560 27.469 1.00 0.00 ATOM 84 CB TYR 11 17.121 39.242 26.920 1.00 0.00 ATOM 85 CG TYR 11 16.687 40.200 25.799 1.00 0.00 ATOM 86 CD1 TYR 11 16.171 41.458 26.097 1.00 0.00 ATOM 87 CD2 TYR 11 16.813 39.833 24.470 1.00 0.00 ATOM 88 CE1 TYR 11 15.795 42.321 25.076 1.00 0.00 ATOM 89 CE2 TYR 11 16.436 40.696 23.448 1.00 0.00 ATOM 90 CZ TYR 11 15.921 41.954 23.747 1.00 0.00 ATOM 91 OH TYR 11 15.457 42.781 22.766 1.00 0.00 ATOM 92 O TYR 11 19.468 37.655 28.569 1.00 0.00 ATOM 93 C TYR 11 18.900 38.739 28.693 1.00 0.00 ATOM 94 N TYR 12 18.591 39.253 29.902 1.00 0.00 ATOM 95 CA TYR 12 18.945 38.539 31.115 1.00 0.00 ATOM 96 CB TYR 12 20.049 39.302 31.838 1.00 0.00 ATOM 97 CG TYR 12 20.652 38.509 33.001 1.00 0.00 ATOM 98 CD1 TYR 12 21.305 37.301 32.780 1.00 0.00 ATOM 99 CD2 TYR 12 20.660 39.041 34.274 1.00 0.00 ATOM 100 CE1 TYR 12 21.947 36.631 33.821 1.00 0.00 ATOM 101 CE2 TYR 12 21.304 38.350 35.276 1.00 0.00 ATOM 102 CZ TYR 12 21.956 37.152 35.094 1.00 0.00 ATOM 103 OH TYR 12 22.677 36.609 36.103 1.00 0.00 ATOM 104 O TYR 12 17.023 39.364 32.282 1.00 0.00 ATOM 105 C TYR 12 17.748 38.398 32.042 1.00 0.00 ATOM 106 N VAL 13 17.541 37.194 32.565 1.00 0.00 ATOM 107 CA VAL 13 16.423 36.944 33.467 1.00 0.00 ATOM 108 CB VAL 13 15.494 35.845 32.928 1.00 0.00 ATOM 109 CG1 VAL 13 14.409 35.492 33.948 1.00 0.00 ATOM 110 CG2 VAL 13 14.857 36.253 31.609 1.00 0.00 ATOM 111 O VAL 13 17.764 35.559 34.910 1.00 0.00 ATOM 112 C VAL 13 16.952 36.477 34.827 1.00 0.00 ATOM 113 N GLN 14 16.304 37.004 35.857 1.00 0.00 ATOM 114 CA GLN 14 16.518 36.480 37.219 1.00 0.00 ATOM 115 CB GLN 14 17.310 37.437 38.114 1.00 0.00 ATOM 116 CG GLN 14 16.497 38.533 38.794 1.00 0.00 ATOM 117 CD GLN 14 17.440 39.299 39.710 1.00 0.00 ATOM 118 OE1 GLN 14 18.120 40.250 39.357 1.00 0.00 ATOM 119 NE2 GLN 14 17.425 38.916 40.943 1.00 0.00 ATOM 120 O GLN 14 14.152 36.738 37.698 1.00 0.00 ATOM 121 C GLN 14 15.177 36.071 37.833 1.00 0.00 ATOM 122 N ILE 15 15.156 34.851 38.353 1.00 0.00 ATOM 123 CA ILE 15 13.974 34.259 38.990 1.00 0.00 ATOM 124 CB ILE 15 13.438 33.073 38.173 1.00 0.00 ATOM 125 CG1 ILE 15 13.053 33.556 36.778 1.00 0.00 ATOM 126 CG2 ILE 15 12.242 32.380 38.842 1.00 0.00 ATOM 127 CD1 ILE 15 12.878 32.363 35.850 1.00 0.00 ATOM 128 O ILE 15 15.285 32.945 40.497 1.00 0.00 ATOM 129 C ILE 15 14.389 33.777 40.384 1.00 0.00 ATOM 130 N THR 16 13.556 34.141 41.349 1.00 0.00 ATOM 131 CA THR 16 13.742 33.658 42.726 1.00 0.00 ATOM 132 CB THR 16 13.894 34.792 43.739 1.00 0.00 ATOM 133 CG2 THR 16 14.072 34.278 45.167 1.00 0.00 ATOM 134 OG1 THR 16 15.007 35.607 43.405 1.00 0.00 ATOM 135 O THR 16 11.389 33.346 43.072 1.00 0.00 ATOM 136 C THR 16 12.508 32.843 43.100 1.00 0.00 ATOM 137 N VAL 17 12.759 31.585 43.409 1.00 0.00 ATOM 138 CA VAL 17 11.653 30.701 43.824 1.00 0.00 ATOM 139 CB VAL 17 11.347 29.584 42.822 1.00 0.00 ATOM 140 CG1 VAL 17 9.972 29.027 43.171 1.00 0.00 ATOM 141 CG2 VAL 17 11.347 30.033 41.365 1.00 0.00 ATOM 142 O VAL 17 12.724 29.293 45.445 1.00 0.00 ATOM 143 C VAL 17 11.950 30.229 45.243 1.00 0.00 ATOM 144 N ASP 18 11.333 30.877 46.226 1.00 0.00 ATOM 145 CA ASP 18 11.541 30.509 47.630 1.00 0.00 ATOM 146 CB ASP 18 10.815 29.189 47.948 1.00 0.00 ATOM 147 CG ASP 18 9.316 29.321 47.696 1.00 0.00 ATOM 148 OD1 ASP 18 8.793 30.395 48.063 1.00 0.00 ATOM 149 OD2 ASP 18 8.770 28.389 47.056 1.00 0.00 ATOM 150 O ASP 18 13.506 29.465 48.527 1.00 0.00 ATOM 151 C ASP 18 13.029 30.446 47.956 1.00 0.00 ATOM 152 N GLY 19 13.761 31.495 47.593 1.00 0.00 ATOM 153 CA GLY 19 15.195 31.544 47.856 1.00 0.00 ATOM 154 O GLY 19 17.301 30.825 46.978 1.00 0.00 ATOM 155 C GLY 19 16.075 30.745 46.908 1.00 0.00 ATOM 156 N LYS 20 15.472 29.953 46.023 1.00 0.00 ATOM 157 CA LYS 20 16.276 29.270 45.006 1.00 0.00 ATOM 158 CB LYS 20 15.544 28.085 44.391 1.00 0.00 ATOM 159 CG LYS 20 15.159 27.047 45.443 1.00 0.00 ATOM 160 CD LYS 20 16.392 26.512 46.169 1.00 0.00 ATOM 161 CE LYS 20 15.949 25.460 47.151 1.00 0.00 ATOM 162 NZ LYS 20 17.086 24.858 47.838 1.00 0.00 ATOM 163 O LYS 20 15.725 31.034 43.497 1.00 0.00 ATOM 164 C LYS 20 16.584 30.242 43.884 1.00 0.00 ATOM 165 N GLU 21 17.739 30.032 43.280 1.00 0.00 ATOM 166 CA GLU 21 18.088 31.017 42.267 1.00 0.00 ATOM 167 CB GLU 21 18.989 32.074 42.933 1.00 0.00 ATOM 168 CG GLU 21 18.231 32.934 43.974 1.00 0.00 ATOM 169 CD GLU 21 19.073 33.836 44.891 1.00 0.00 ATOM 170 OE1 GLU 21 20.179 34.214 44.455 1.00 0.00 ATOM 171 OE2 GLU 21 18.563 34.182 45.982 1.00 0.00 ATOM 172 O GLU 21 18.645 29.415 40.571 1.00 0.00 ATOM 173 C GLU 21 18.016 30.434 40.861 1.00 0.00 ATOM 174 N VAL 22 17.251 31.081 39.986 1.00 0.00 ATOM 175 CA VAL 22 17.114 30.615 38.623 1.00 0.00 ATOM 176 CB VAL 22 15.626 30.344 38.325 1.00 0.00 ATOM 177 CG1 VAL 22 15.362 30.040 36.837 1.00 0.00 ATOM 178 CG2 VAL 22 15.069 29.247 39.218 1.00 0.00 ATOM 179 O VAL 22 16.950 32.856 37.781 1.00 0.00 ATOM 180 C VAL 22 17.562 31.786 37.756 1.00 0.00 ATOM 181 N HIS 23 18.628 31.584 36.988 1.00 0.00 ATOM 182 CA HIS 23 19.134 32.626 36.124 1.00 0.00 ATOM 183 CB HIS 23 20.522 33.107 36.528 1.00 0.00 ATOM 184 CG HIS 23 20.598 33.961 37.793 1.00 0.00 ATOM 185 CD2 HIS 23 19.614 34.547 38.473 1.00 0.00 ATOM 186 ND1 HIS 23 21.754 34.302 38.359 1.00 0.00 ATOM 187 CE1 HIS 23 21.446 35.112 39.369 1.00 0.00 ATOM 188 NE2 HIS 23 20.141 35.261 39.460 1.00 0.00 ATOM 189 O HIS 23 19.506 31.036 34.367 1.00 0.00 ATOM 190 C HIS 23 19.151 32.175 34.668 1.00 0.00 ATOM 191 N SER 24 18.765 33.072 33.765 1.00 0.00 ATOM 192 CA SER 24 18.743 32.749 32.350 1.00 0.00 ATOM 193 CB SER 24 17.305 32.489 31.943 1.00 0.00 ATOM 194 OG SER 24 17.193 32.318 30.534 1.00 0.00 ATOM 195 O SER 24 19.085 35.030 31.723 1.00 0.00 ATOM 196 C SER 24 19.318 33.845 31.481 1.00 0.00 ATOM 197 N LYS 25 20.074 33.453 30.460 1.00 0.00 ATOM 198 CA LYS 25 20.682 34.422 29.554 1.00 0.00 ATOM 199 CB LYS 25 22.176 34.543 29.819 1.00 0.00 ATOM 200 CG LYS 25 22.836 35.635 28.977 1.00 0.00 ATOM 201 CD LYS 25 24.299 35.756 29.381 1.00 0.00 ATOM 202 CE LYS 25 24.965 36.779 28.469 1.00 0.00 ATOM 203 NZ LYS 25 26.329 37.012 28.892 1.00 0.00 ATOM 204 O LYS 25 20.564 32.798 27.807 1.00 0.00 ATOM 205 C LYS 25 20.391 33.968 28.147 1.00 0.00 ATOM 206 N ALA 26 19.889 34.910 27.350 1.00 0.00 ATOM 207 CA ALA 26 19.605 34.661 25.946 1.00 0.00 ATOM 208 CB ALA 26 18.096 34.587 25.730 1.00 0.00 ATOM 209 O ALA 26 19.845 36.907 25.137 1.00 0.00 ATOM 210 C ALA 26 20.159 35.724 25.003 1.00 0.00 ATOM 211 N ASP 27 20.984 35.300 24.050 1.00 0.00 ATOM 212 CA ASP 27 21.560 36.221 23.105 1.00 0.00 ATOM 213 CB ASP 27 23.084 36.262 23.101 1.00 0.00 ATOM 214 CG ASP 27 23.612 37.203 22.012 1.00 0.00 ATOM 215 OD1 ASP 27 22.819 37.958 21.433 1.00 0.00 ATOM 216 OD2 ASP 27 24.829 37.119 21.807 1.00 0.00 ATOM 217 O ASP 27 21.333 34.758 21.236 1.00 0.00 ATOM 218 C ASP 27 20.984 35.807 21.777 1.00 0.00 ATOM 219 N ASN 28 20.094 36.634 21.238 1.00 0.00 ATOM 220 CA ASN 28 19.471 36.342 19.953 1.00 0.00 ATOM 221 CB ASN 28 18.107 37.005 19.918 1.00 0.00 ATOM 222 CG ASN 28 17.389 36.502 18.677 1.00 0.00 ATOM 223 ND2 ASN 28 16.248 35.990 18.974 1.00 0.00 ATOM 224 OD1 ASN 28 17.787 36.409 17.529 1.00 0.00 ATOM 225 O ASN 28 20.303 38.131 18.577 1.00 0.00 ATOM 226 C ASN 28 20.291 36.918 18.791 1.00 0.00 ATOM 227 N GLY 29 20.967 36.049 18.048 1.00 0.00 ATOM 228 CA GLY 29 21.776 36.489 16.917 1.00 0.00 ATOM 229 O GLY 29 19.710 36.311 15.628 1.00 0.00 ATOM 230 C GLY 29 20.894 36.614 15.660 1.00 0.00 ATOM 231 N GLN 30 21.594 36.773 14.545 1.00 0.00 ATOM 232 CA GLN 30 20.909 36.957 13.256 1.00 0.00 ATOM 233 CB GLN 30 21.876 37.455 12.195 1.00 0.00 ATOM 234 CG GLN 30 22.365 38.858 12.440 1.00 0.00 ATOM 235 CD GLN 30 23.352 38.847 13.582 1.00 0.00 ATOM 236 OE1 GLN 30 24.246 38.016 13.687 1.00 0.00 ATOM 237 NE2 GLN 30 23.105 39.816 14.403 1.00 0.00 ATOM 238 O GLN 30 19.093 35.682 12.346 1.00 0.00 ATOM 239 C GLN 30 20.254 35.674 12.757 1.00 0.00 ATOM 240 N LYS 31 20.998 34.574 12.794 1.00 0.00 ATOM 241 CA LYS 31 20.472 33.285 12.341 1.00 0.00 ATOM 242 CB LYS 31 21.115 32.768 11.054 1.00 0.00 ATOM 243 CG LYS 31 20.760 33.592 9.823 1.00 0.00 ATOM 244 CD LYS 31 21.567 33.155 8.600 1.00 0.00 ATOM 245 CE LYS 31 21.465 34.206 7.511 1.00 0.00 ATOM 246 NZ LYS 31 22.275 33.842 6.367 1.00 0.00 ATOM 247 O LYS 31 20.513 31.018 13.155 1.00 0.00 ATOM 248 C LYS 31 20.635 32.211 13.432 1.00 0.00 ATOM 249 N TYR 32 20.909 32.642 14.659 1.00 0.00 ATOM 250 CA TYR 32 21.081 31.710 15.767 1.00 0.00 ATOM 251 CB TYR 32 22.551 31.284 15.807 1.00 0.00 ATOM 252 CG TYR 32 23.505 32.436 16.117 1.00 0.00 ATOM 253 CD1 TYR 32 23.842 32.716 17.436 1.00 0.00 ATOM 254 CD2 TYR 32 24.050 33.191 15.088 1.00 0.00 ATOM 255 CE1 TYR 32 24.704 33.760 17.716 1.00 0.00 ATOM 256 CE2 TYR 32 24.912 34.235 15.368 1.00 0.00 ATOM 257 CZ TYR 32 25.229 34.525 16.687 1.00 0.00 ATOM 258 OH TYR 32 26.012 35.592 16.985 1.00 0.00 ATOM 259 O TYR 32 20.662 33.541 17.255 1.00 0.00 ATOM 260 C TYR 32 20.743 32.319 17.119 1.00 0.00 ATOM 261 N LYS 33 20.547 31.468 18.120 1.00 0.00 ATOM 262 CA LYS 33 20.220 31.939 19.460 1.00 0.00 ATOM 263 CB LYS 33 18.744 31.733 19.743 1.00 0.00 ATOM 264 CG LYS 33 17.820 32.663 18.956 1.00 0.00 ATOM 265 CD LYS 33 16.408 32.486 19.499 1.00 0.00 ATOM 266 CE LYS 33 15.736 31.192 19.029 1.00 0.00 ATOM 267 NZ LYS 33 14.400 31.070 19.573 1.00 0.00 ATOM 268 O LYS 33 21.013 29.896 20.392 1.00 0.00 ATOM 269 C LYS 33 21.038 31.125 20.452 1.00 0.00 ATOM 270 N ASP 34 21.753 31.832 21.303 1.00 0.00 ATOM 271 CA ASP 34 22.581 31.110 22.277 1.00 0.00 ATOM 272 CB ASP 34 24.058 31.457 22.012 1.00 0.00 ATOM 273 CG ASP 34 25.127 30.428 22.384 1.00 0.00 ATOM 274 OD1 ASP 34 24.738 29.308 22.746 1.00 0.00 ATOM 275 OD2 ASP 34 26.313 30.768 22.163 1.00 0.00 ATOM 276 O ASP 34 21.686 32.382 24.090 1.00 0.00 ATOM 277 C ASP 34 21.893 31.271 23.613 1.00 0.00 ATOM 278 N TYR 35 21.518 30.135 24.176 1.00 0.00 ATOM 279 CA TYR 35 20.765 30.066 25.403 1.00 0.00 ATOM 280 CB TYR 35 19.490 29.219 25.283 1.00 0.00 ATOM 281 CG TYR 35 18.353 29.925 24.549 1.00 0.00 ATOM 282 CD1 TYR 35 18.155 29.714 23.193 1.00 0.00 ATOM 283 CD2 TYR 35 17.497 30.778 25.231 1.00 0.00 ATOM 284 CE1 TYR 35 17.122 30.357 22.520 1.00 0.00 ATOM 285 CE2 TYR 35 16.465 31.399 24.529 1.00 0.00 ATOM 286 CZ TYR 35 16.266 31.209 23.182 1.00 0.00 ATOM 287 OH TYR 35 15.217 31.790 22.540 1.00 0.00 ATOM 288 O TYR 35 22.259 28.380 26.269 1.00 0.00 ATOM 289 C TYR 35 21.649 29.430 26.477 1.00 0.00 ATOM 290 N GLU 36 21.623 30.036 27.648 1.00 0.00 ATOM 291 CA GLU 36 22.294 29.471 28.833 1.00 0.00 ATOM 292 CB GLU 36 23.699 30.061 29.003 1.00 0.00 ATOM 293 CG GLU 36 23.740 31.519 29.389 1.00 0.00 ATOM 294 CD GLU 36 25.162 32.002 29.616 1.00 0.00 ATOM 295 OE1 GLU 36 25.815 31.510 30.561 1.00 0.00 ATOM 296 OE2 GLU 36 25.626 32.865 28.846 1.00 0.00 ATOM 297 O GLU 36 20.725 30.677 30.184 1.00 0.00 ATOM 298 C GLU 36 21.381 29.645 30.030 1.00 0.00 ATOM 299 N TYR 37 21.386 28.633 30.895 1.00 0.00 ATOM 300 CA TYR 37 20.569 28.667 32.095 1.00 0.00 ATOM 301 CB TYR 37 19.359 27.751 31.961 1.00 0.00 ATOM 302 CG TYR 37 18.363 28.275 30.954 1.00 0.00 ATOM 303 CD1 TYR 37 18.544 28.063 29.588 1.00 0.00 ATOM 304 CD2 TYR 37 17.268 29.034 31.361 1.00 0.00 ATOM 305 CE1 TYR 37 17.660 28.597 28.651 1.00 0.00 ATOM 306 CE2 TYR 37 16.381 29.574 30.435 1.00 0.00 ATOM 307 CZ TYR 37 16.582 29.351 29.083 1.00 0.00 ATOM 308 OH TYR 37 15.709 29.890 28.167 1.00 0.00 ATOM 309 O TYR 37 22.096 27.135 33.133 1.00 0.00 ATOM 310 C TYR 37 21.321 28.081 33.284 1.00 0.00 ATOM 311 N LYS 38 21.091 28.641 34.468 1.00 0.00 ATOM 312 CA LYS 38 21.751 28.158 35.669 1.00 0.00 ATOM 313 CB LYS 38 23.121 28.834 35.824 1.00 0.00 ATOM 314 CG LYS 38 24.020 28.350 36.968 1.00 0.00 ATOM 315 CD LYS 38 25.170 29.324 37.279 1.00 0.00 ATOM 316 CE LYS 38 25.982 28.794 38.455 1.00 0.00 ATOM 317 NZ LYS 38 26.758 29.828 39.146 1.00 0.00 ATOM 318 O LYS 38 20.337 29.325 37.217 1.00 0.00 ATOM 319 C LYS 38 20.852 28.253 36.897 1.00 0.00 ATOM 320 N LEU 39 20.664 27.129 37.583 1.00 0.00 ATOM 321 CA LEU 39 19.838 27.110 38.755 1.00 0.00 ATOM 322 CB LEU 39 18.745 26.049 38.589 1.00 0.00 ATOM 323 CG LEU 39 17.951 26.131 37.296 1.00 0.00 ATOM 324 CD1 LEU 39 16.931 25.014 37.270 1.00 0.00 ATOM 325 CD2 LEU 39 17.313 27.503 37.154 1.00 0.00 ATOM 326 O LEU 39 21.644 25.958 39.857 1.00 0.00 ATOM 327 C LEU 39 20.713 26.757 39.969 1.00 0.00 ATOM 328 N THR 40 20.407 27.351 41.119 1.00 0.00 ATOM 329 CA THR 40 21.169 27.085 42.332 1.00 0.00 ATOM 330 CB THR 40 22.226 28.195 42.656 1.00 0.00 ATOM 331 CG2 THR 40 23.071 28.501 41.430 1.00 0.00 ATOM 332 OG1 THR 40 21.555 29.384 43.086 1.00 0.00 ATOM 333 O THR 40 19.251 27.659 43.680 1.00 0.00 ATOM 334 C THR 40 20.182 26.884 43.491 1.00 0.00 ATOM 335 N GLY 41 20.512 25.848 44.329 1.00 0.00 ATOM 336 CA GLY 41 19.810 25.613 45.566 1.00 0.00 ATOM 337 O GLY 41 21.756 24.495 46.416 1.00 0.00 ATOM 338 C GLY 41 20.705 25.080 46.680 1.00 0.00 ATOM 339 N PHE 42 20.287 25.282 47.926 1.00 0.00 ATOM 340 CA PHE 42 21.058 24.815 49.059 1.00 0.00 ATOM 341 CB PHE 42 22.037 25.920 49.438 1.00 0.00 ATOM 342 CG PHE 42 22.896 25.566 50.649 1.00 0.00 ATOM 343 CD1 PHE 42 23.840 24.556 50.571 1.00 0.00 ATOM 344 CD2 PHE 42 22.751 26.237 51.847 1.00 0.00 ATOM 345 CE1 PHE 42 24.617 24.229 51.672 1.00 0.00 ATOM 346 CE2 PHE 42 23.508 25.928 52.958 1.00 0.00 ATOM 347 CZ PHE 42 24.441 24.919 52.861 1.00 0.00 ATOM 348 O PHE 42 19.244 25.256 50.565 1.00 0.00 ATOM 349 C PHE 42 20.107 24.459 50.194 1.00 0.00 ATOM 350 N ASP 43 20.265 23.259 50.747 1.00 0.00 ATOM 351 CA ASP 43 19.412 22.815 51.843 1.00 0.00 ATOM 352 CB ASP 43 19.154 21.308 51.735 1.00 0.00 ATOM 353 CG ASP 43 20.375 20.404 51.896 1.00 0.00 ATOM 354 OD1 ASP 43 21.422 20.906 52.368 1.00 0.00 ATOM 355 OD2 ASP 43 20.250 19.193 51.615 1.00 0.00 ATOM 356 O ASP 43 21.302 23.349 53.284 1.00 0.00 ATOM 357 C ASP 43 20.117 23.016 53.237 1.00 0.00 ATOM 358 N LYS 44 19.381 22.812 54.326 1.00 0.00 ATOM 359 CA LYS 44 19.947 22.971 55.660 1.00 0.00 ATOM 360 CB LYS 44 18.816 22.903 56.688 1.00 0.00 ATOM 361 CG LYS 44 17.685 23.878 56.420 1.00 0.00 ATOM 362 CD LYS 44 16.636 23.803 57.527 1.00 0.00 ATOM 363 CE LYS 44 15.262 24.426 57.282 1.00 0.00 ATOM 364 NZ LYS 44 15.298 25.822 57.732 1.00 0.00 ATOM 365 O LYS 44 21.520 22.009 57.195 1.00 0.00 ATOM 366 C LYS 44 20.956 21.917 56.103 1.00 0.00 ATOM 367 N ASP 45 21.182 20.918 55.256 1.00 0.00 ATOM 368 CA ASP 45 22.139 19.841 55.577 1.00 0.00 ATOM 369 CB ASP 45 21.462 18.547 55.109 1.00 0.00 ATOM 370 CG ASP 45 20.195 18.224 55.906 1.00 0.00 ATOM 371 OD1 ASP 45 20.132 18.535 57.111 1.00 0.00 ATOM 372 OD2 ASP 45 19.266 17.684 55.260 1.00 0.00 ATOM 373 O ASP 45 24.363 19.122 55.050 1.00 0.00 ATOM 374 C ASP 45 23.542 20.030 54.996 1.00 0.00 ATOM 375 N GLY 46 23.838 21.204 54.420 1.00 0.00 ATOM 376 CA GLY 46 25.146 21.472 53.823 1.00 0.00 ATOM 377 O GLY 46 26.446 20.729 51.949 1.00 0.00 ATOM 378 C GLY 46 25.321 20.923 52.411 1.00 0.00 ATOM 379 N LYS 47 24.207 20.674 51.729 1.00 0.00 ATOM 380 CA LYS 47 24.258 20.152 50.375 1.00 0.00 ATOM 381 CB LYS 47 23.277 18.988 50.197 1.00 0.00 ATOM 382 CG LYS 47 23.681 17.789 51.048 1.00 0.00 ATOM 383 CD LYS 47 22.773 16.592 50.849 1.00 0.00 ATOM 384 CE LYS 47 23.273 15.441 51.720 1.00 0.00 ATOM 385 NZ LYS 47 22.486 14.233 51.420 1.00 0.00 ATOM 386 O LYS 47 22.758 21.702 49.325 1.00 0.00 ATOM 387 C LYS 47 23.906 21.260 49.389 1.00 0.00 ATOM 388 N GLU 48 24.894 21.706 48.620 1.00 0.00 ATOM 389 CA GLU 48 24.672 22.764 47.638 1.00 0.00 ATOM 390 CB GLU 48 25.795 23.792 47.701 1.00 0.00 ATOM 391 CG GLU 48 25.624 24.990 46.757 1.00 0.00 ATOM 392 CD GLU 48 26.812 25.963 46.821 1.00 0.00 ATOM 393 OE1 GLU 48 27.706 25.785 47.672 1.00 0.00 ATOM 394 OE2 GLU 48 26.881 26.886 45.986 1.00 0.00 ATOM 395 O GLU 48 25.333 21.198 45.970 1.00 0.00 ATOM 396 C GLU 48 24.537 22.073 46.312 1.00 0.00 ATOM 397 N LYS 49 23.521 22.463 45.547 1.00 0.00 ATOM 398 CA LYS 49 23.290 21.867 44.237 1.00 0.00 ATOM 399 CB LYS 49 22.028 21.012 44.182 1.00 0.00 ATOM 400 CG LYS 49 22.129 19.778 45.084 1.00 0.00 ATOM 401 CD LYS 49 20.801 19.029 45.100 1.00 0.00 ATOM 402 CE LYS 49 20.912 17.765 45.961 1.00 0.00 ATOM 403 NZ LYS 49 19.762 16.878 45.775 1.00 0.00 ATOM 404 O LYS 49 22.492 23.996 43.472 1.00 0.00 ATOM 405 C LYS 49 23.107 22.967 43.196 1.00 0.00 ATOM 406 N GLU 50 23.642 22.746 41.998 1.00 0.00 ATOM 407 CA GLU 50 23.523 23.704 40.968 1.00 0.00 ATOM 408 CB GLU 50 24.618 24.768 40.977 1.00 0.00 ATOM 409 CG GLU 50 24.634 25.556 42.284 1.00 0.00 ATOM 410 CD GLU 50 25.942 26.278 42.572 1.00 0.00 ATOM 411 OE1 GLU 50 25.848 27.235 43.329 1.00 0.00 ATOM 412 OE2 GLU 50 26.994 25.871 42.024 1.00 0.00 ATOM 413 O GLU 50 23.886 21.890 39.473 1.00 0.00 ATOM 414 C GLU 50 23.277 22.938 39.679 1.00 0.00 ATOM 415 N LEU 51 22.421 23.454 38.855 1.00 0.00 ATOM 416 CA LEU 51 22.119 22.843 37.577 1.00 0.00 ATOM 417 CB LEU 51 20.635 22.477 37.534 1.00 0.00 ATOM 418 CG LEU 51 20.121 21.618 38.686 1.00 0.00 ATOM 419 CD1 LEU 51 18.707 21.181 38.361 1.00 0.00 ATOM 420 CD2 LEU 51 20.989 20.384 38.910 1.00 0.00 ATOM 421 O LEU 51 21.817 24.874 36.337 1.00 0.00 ATOM 422 C LEU 51 22.446 23.821 36.454 1.00 0.00 ATOM 423 N GLU 52 23.429 23.473 35.631 1.00 0.00 ATOM 424 CA GLU 52 23.820 24.328 34.530 1.00 0.00 ATOM 425 CB GLU 52 25.343 24.404 34.488 1.00 0.00 ATOM 426 CG GLU 52 25.970 24.974 35.755 1.00 0.00 ATOM 427 CD GLU 52 27.503 25.059 35.701 1.00 0.00 ATOM 428 OE1 GLU 52 28.065 25.652 36.641 1.00 0.00 ATOM 429 OE2 GLU 52 28.112 24.635 34.693 1.00 0.00 ATOM 430 O GLU 52 23.565 22.498 32.990 1.00 0.00 ATOM 431 C GLU 52 23.371 23.694 33.209 1.00 0.00 ATOM 432 N PHE 53 22.773 24.498 32.335 1.00 0.00 ATOM 433 CA PHE 53 22.307 24.002 31.046 1.00 0.00 ATOM 434 CB PHE 53 20.783 24.190 31.065 1.00 0.00 ATOM 435 CG PHE 53 20.117 23.552 32.271 1.00 0.00 ATOM 436 CD1 PHE 53 19.967 24.266 33.455 1.00 0.00 ATOM 437 CD2 PHE 53 19.643 22.261 32.199 1.00 0.00 ATOM 438 CE1 PHE 53 19.340 23.675 34.539 1.00 0.00 ATOM 439 CE2 PHE 53 19.020 21.657 33.277 1.00 0.00 ATOM 440 CZ PHE 53 18.860 22.369 34.459 1.00 0.00 ATOM 441 O PHE 53 22.800 26.048 29.891 1.00 0.00 ATOM 442 C PHE 53 23.091 24.863 30.057 1.00 0.00 ATOM 443 N THR 54 24.084 24.265 29.404 1.00 0.00 ATOM 444 CA THR 54 24.896 24.992 28.435 1.00 0.00 ATOM 445 CB THR 54 26.393 24.639 28.549 1.00 0.00 ATOM 446 CG2 THR 54 27.244 25.360 27.506 1.00 0.00 ATOM 447 OG1 THR 54 26.849 24.947 29.875 1.00 0.00 ATOM 448 O THR 54 24.575 23.470 26.589 1.00 0.00 ATOM 449 C THR 54 24.419 24.610 27.029 1.00 0.00 ATOM 450 N ALA 55 23.839 25.603 26.367 1.00 0.00 ATOM 451 CA ALA 55 23.338 25.403 25.000 1.00 0.00 ATOM 452 CB ALA 55 21.906 25.921 24.920 1.00 0.00 ATOM 453 O ALA 55 24.701 27.089 23.972 1.00 0.00 ATOM 454 C ALA 55 24.252 25.943 23.905 1.00 0.00 ATOM 455 N GLN 56 24.526 25.120 22.900 1.00 0.00 ATOM 456 CA GLN 56 25.388 25.532 21.797 1.00 0.00 ATOM 457 CB GLN 56 26.720 24.829 21.990 1.00 0.00 ATOM 458 CG GLN 56 27.733 25.202 20.910 1.00 0.00 ATOM 459 CD GLN 56 28.858 24.182 20.926 1.00 0.00 ATOM 460 OE1 GLN 56 29.441 23.809 21.948 1.00 0.00 ATOM 461 NE2 GLN 56 29.226 23.744 19.755 1.00 0.00 ATOM 462 O GLN 56 24.313 24.044 20.214 1.00 0.00 ATOM 463 C GLN 56 24.790 25.156 20.428 1.00 0.00 ATOM 464 N LYS 57 24.813 26.132 19.532 1.00 0.00 ATOM 465 CA LYS 57 24.491 25.881 18.116 1.00 0.00 ATOM 466 CB LYS 57 24.147 27.208 17.435 1.00 0.00 ATOM 467 CG LYS 57 23.947 27.067 15.915 1.00 0.00 ATOM 468 CD LYS 57 23.696 28.426 15.257 1.00 0.00 ATOM 469 CE LYS 57 23.760 28.281 13.733 1.00 0.00 ATOM 470 NZ LYS 57 23.707 29.600 13.092 1.00 0.00 ATOM 471 O LYS 57 26.813 25.619 17.531 1.00 0.00 ATOM 472 C LYS 57 25.684 25.171 17.436 1.00 0.00 ATOM 473 N ASN 58 25.347 24.178 16.632 1.00 0.00 ATOM 474 CA ASN 58 26.333 23.520 15.757 1.00 0.00 ATOM 475 CB ASN 58 26.292 22.004 15.871 1.00 0.00 ATOM 476 CG ASN 58 26.658 21.528 17.274 1.00 0.00 ATOM 477 ND2 ASN 58 26.300 20.303 17.529 1.00 0.00 ATOM 478 OD1 ASN 58 27.314 22.199 18.052 1.00 0.00 ATOM 479 O ASN 58 27.083 24.448 13.675 1.00 0.00 ATOM 480 C ASN 58 26.159 23.920 14.296 1.00 0.00 ATOM 481 N LEU 59 24.974 23.667 13.749 1.00 0.00 ATOM 482 CA LEU 59 24.695 24.010 12.357 1.00 0.00 ATOM 483 CB LEU 59 24.554 22.749 11.514 1.00 0.00 ATOM 484 CG LEU 59 25.830 21.918 11.471 1.00 0.00 ATOM 485 CD1 LEU 59 25.567 20.627 10.716 1.00 0.00 ATOM 486 CD2 LEU 59 26.902 22.683 10.698 1.00 0.00 ATOM 487 O LEU 59 22.639 24.870 13.271 1.00 0.00 ATOM 488 C LEU 59 23.359 24.765 12.276 1.00 0.00 ATOM 489 N ARG 60 23.035 25.285 11.096 1.00 0.00 ATOM 490 CA ARG 60 21.789 26.019 10.910 1.00 0.00 ATOM 491 CB ARG 60 21.681 26.504 9.476 1.00 0.00 ATOM 492 CG ARG 60 22.679 27.618 9.200 1.00 0.00 ATOM 493 CD ARG 60 22.438 28.150 7.801 1.00 0.00 ATOM 494 NE ARG 60 23.322 29.297 7.592 1.00 0.00 ATOM 495 CZ ARG 60 24.170 29.514 6.590 1.00 0.00 ATOM 496 NH1 ARG 60 24.390 28.687 5.585 1.00 0.00 ATOM 497 NH2 ARG 60 24.811 30.638 6.572 1.00 0.00 ATOM 498 O ARG 60 19.544 25.830 11.723 1.00 0.00 ATOM 499 C ARG 60 20.542 25.229 11.321 1.00 0.00 ATOM 500 N LYS 61 20.639 23.894 11.231 1.00 0.00 ATOM 501 CA LYS 61 19.574 22.971 11.662 1.00 0.00 ATOM 502 CB LYS 61 18.774 22.570 10.200 1.00 0.00 ATOM 503 CG LYS 61 19.248 23.390 9.000 1.00 0.00 ATOM 504 CD LYS 61 19.002 22.684 7.637 1.00 0.00 ATOM 505 CE LYS 61 20.292 22.038 7.008 1.00 0.00 ATOM 506 NZ LYS 61 20.193 20.528 6.863 1.00 0.00 ATOM 507 O LYS 61 19.384 20.898 12.903 1.00 0.00 ATOM 508 C LYS 61 20.000 21.957 12.764 1.00 0.00 ATOM 509 N GLU 62 21.036 22.293 13.525 1.00 0.00 ATOM 510 CA GLU 62 21.512 21.414 14.586 1.00 0.00 ATOM 511 CB GLU 62 21.975 20.190 14.370 1.00 0.00 ATOM 512 CG GLU 62 20.812 19.231 14.198 1.00 0.00 ATOM 513 CD GLU 62 21.249 17.877 13.668 1.00 0.00 ATOM 514 OE1 GLU 62 22.107 17.234 14.310 1.00 0.00 ATOM 515 OE2 GLU 62 20.737 17.459 12.608 1.00 0.00 ATOM 516 O GLU 62 22.925 23.063 15.621 1.00 0.00 ATOM 517 C GLU 62 22.085 22.180 15.779 1.00 0.00 ATOM 518 N ALA 63 21.678 21.737 16.957 1.00 0.00 ATOM 519 CA ALA 63 22.161 22.309 18.220 1.00 0.00 ATOM 520 CB ALA 63 21.283 23.507 18.603 1.00 0.00 ATOM 521 O ALA 63 21.633 20.190 19.203 1.00 0.00 ATOM 522 C ALA 63 22.262 21.246 19.300 1.00 0.00 ATOM 523 N PHE 64 23.053 21.522 20.331 1.00 0.00 ATOM 524 CA PHE 64 23.223 20.575 21.427 1.00 0.00 ATOM 525 CB PHE 64 24.599 19.933 21.202 1.00 0.00 ATOM 526 CG PHE 64 24.821 18.734 22.120 1.00 0.00 ATOM 527 CD1 PHE 64 24.380 17.477 21.725 1.00 0.00 ATOM 528 CD2 PHE 64 25.478 18.890 23.339 1.00 0.00 ATOM 529 CE1 PHE 64 24.595 16.377 22.549 1.00 0.00 ATOM 530 CE2 PHE 64 25.685 17.784 24.152 1.00 0.00 ATOM 531 CZ PHE 64 25.254 16.521 23.764 1.00 0.00 ATOM 532 O PHE 64 23.752 22.310 23.032 1.00 0.00 ATOM 533 C PHE 64 23.153 21.263 22.804 1.00 0.00 ATOM 534 N LEU 65 22.437 20.601 23.704 1.00 0.00 ATOM 535 CA LEU 65 22.315 21.094 25.089 1.00 0.00 ATOM 536 CB LEU 65 20.853 21.302 25.482 1.00 0.00 ATOM 537 CG LEU 65 20.595 21.759 26.927 1.00 0.00 ATOM 538 CD1 LEU 65 21.216 23.124 27.217 1.00 0.00 ATOM 539 CD2 LEU 65 19.091 21.778 27.204 1.00 0.00 ATOM 540 O LEU 65 22.636 18.915 26.011 1.00 0.00 ATOM 541 C LEU 65 22.993 20.094 26.011 1.00 0.00 ATOM 542 N ARG 66 23.941 20.564 26.787 1.00 0.00 ATOM 543 CA ARG 66 24.653 19.698 27.728 1.00 0.00 ATOM 544 CB ARG 66 26.161 19.690 27.470 1.00 0.00 ATOM 545 CG ARG 66 26.774 18.369 27.948 1.00 0.00 ATOM 546 CD ARG 66 28.248 18.215 27.589 1.00 0.00 ATOM 547 NE ARG 66 28.502 18.425 26.150 1.00 0.00 ATOM 548 CZ ARG 66 29.063 19.503 25.625 1.00 0.00 ATOM 549 NH1 ARG 66 29.432 20.550 26.361 1.00 0.00 ATOM 550 NH2 ARG 66 29.268 19.548 24.319 1.00 0.00 ATOM 551 O ARG 66 24.390 21.412 29.386 1.00 0.00 ATOM 552 C ARG 66 24.283 20.216 29.114 1.00 0.00 ATOM 553 N VAL 67 23.847 19.313 29.988 1.00 0.00 ATOM 554 CA VAL 67 23.462 19.696 31.359 1.00 0.00 ATOM 555 CB VAL 67 22.086 19.079 31.680 1.00 0.00 ATOM 556 CG1 VAL 67 21.699 19.410 33.130 1.00 0.00 ATOM 557 CG2 VAL 67 21.046 19.609 30.740 1.00 0.00 ATOM 558 O VAL 67 24.741 17.973 32.405 1.00 0.00 ATOM 559 C VAL 67 24.453 19.171 32.368 1.00 0.00 ATOM 560 N TYR 68 24.981 20.065 33.196 1.00 0.00 ATOM 561 CA TYR 68 25.949 19.673 34.215 1.00 0.00 ATOM 562 CB TYR 68 27.161 20.613 34.165 1.00 0.00 ATOM 563 CG TYR 68 27.851 20.528 32.806 1.00 0.00 ATOM 564 CD1 TYR 68 27.389 21.245 31.717 1.00 0.00 ATOM 565 CD2 TYR 68 28.971 19.733 32.672 1.00 0.00 ATOM 566 CE1 TYR 68 28.041 21.187 30.493 1.00 0.00 ATOM 567 CE2 TYR 68 29.613 19.668 31.461 1.00 0.00 ATOM 568 CZ TYR 68 29.160 20.400 30.355 1.00 0.00 ATOM 569 OH TYR 68 29.748 20.310 29.131 1.00 0.00 ATOM 570 O TYR 68 24.453 20.702 35.785 1.00 0.00 ATOM 571 C TYR 68 25.308 19.836 35.590 1.00 0.00 ATOM 572 N HIS 69 25.723 19.006 36.541 1.00 0.00 ATOM 573 CA HIS 69 25.192 19.082 37.839 1.00 0.00 ATOM 574 CB HIS 69 23.956 18.250 38.121 1.00 0.00 ATOM 575 CG HIS 69 23.632 18.002 39.590 1.00 0.00 ATOM 576 CD2 HIS 69 23.431 18.831 40.622 1.00 0.00 ATOM 577 ND1 HIS 69 23.374 16.772 39.963 1.00 0.00 ATOM 578 CE1 HIS 69 22.924 16.835 41.200 1.00 0.00 ATOM 579 NE2 HIS 69 23.011 18.092 41.646 1.00 0.00 ATOM 580 O HIS 69 27.341 18.339 38.674 1.00 0.00 ATOM 581 C HIS 69 26.364 19.078 38.800 1.00 0.00 ATOM 582 N SER 70 26.217 20.004 39.741 1.00 0.00 ATOM 583 CA SER 70 27.264 20.312 40.727 1.00 0.00 ATOM 584 CB SER 70 26.958 21.557 41.541 1.00 0.00 ATOM 585 OG SER 70 25.813 21.397 42.335 1.00 0.00 ATOM 586 O SER 70 28.694 18.832 41.959 1.00 0.00 ATOM 587 C SER 70 27.542 19.115 41.629 1.00 0.00 ATOM 588 N ASP 71 26.485 18.413 42.027 1.00 0.00 ATOM 589 CA ASP 71 26.634 17.241 42.894 1.00 0.00 ATOM 590 CB ASP 71 25.317 16.679 43.370 1.00 0.00 ATOM 591 CG ASP 71 25.320 15.455 44.272 1.00 0.00 ATOM 592 OD1 ASP 71 25.862 15.636 45.371 1.00 0.00 ATOM 593 OD2 ASP 71 24.681 14.442 43.898 1.00 0.00 ATOM 594 O ASP 71 28.400 15.619 42.814 1.00 0.00 ATOM 595 C ASP 71 27.519 16.216 42.193 1.00 0.00 ATOM 596 N LYS 72 27.284 16.013 40.901 1.00 0.00 ATOM 597 CA LYS 72 28.079 15.047 40.118 1.00 0.00 ATOM 598 CB LYS 72 27.287 14.516 38.923 1.00 0.00 ATOM 599 CG LYS 72 26.083 13.673 39.334 1.00 0.00 ATOM 600 CD LYS 72 26.491 12.425 40.118 1.00 0.00 ATOM 601 CE LYS 72 25.247 11.588 40.437 1.00 0.00 ATOM 602 NZ LYS 72 25.630 10.381 41.174 1.00 0.00 ATOM 603 O LYS 72 30.231 15.090 38.996 1.00 0.00 ATOM 604 C LYS 72 29.363 15.749 39.570 1.00 0.00 ATOM 605 N LYS 73 29.461 17.062 39.757 1.00 0.00 ATOM 606 CA LYS 73 30.622 17.808 39.287 1.00 0.00 ATOM 607 CB LYS 73 31.653 18.024 40.272 1.00 0.00 ATOM 608 CG LYS 73 32.306 16.887 40.953 1.00 0.00 ATOM 609 CD LYS 73 33.361 17.226 41.971 1.00 0.00 ATOM 610 CE LYS 73 34.794 17.029 41.457 1.00 0.00 ATOM 611 NZ LYS 73 35.736 18.013 42.100 1.00 0.00 ATOM 612 O LYS 73 32.118 17.316 37.476 1.00 0.00 ATOM 613 C LYS 73 30.955 17.525 37.826 1.00 0.00 ATOM 614 N GLY 74 29.934 17.517 36.975 1.00 0.00 ATOM 615 CA GLY 74 30.134 17.257 35.534 1.00 0.00 ATOM 616 O GLY 74 27.751 17.282 35.355 1.00 0.00 ATOM 617 C GLY 74 28.825 17.014 34.815 1.00 0.00 ATOM 618 N VAL 75 28.909 16.502 33.591 1.00 0.00 ATOM 619 CA VAL 75 27.713 16.223 32.805 1.00 0.00 ATOM 620 CB VAL 75 28.081 15.902 31.342 1.00 0.00 ATOM 621 CG1 VAL 75 28.793 14.556 31.156 1.00 0.00 ATOM 622 CG2 VAL 75 26.836 15.988 30.456 1.00 0.00 ATOM 623 O VAL 75 27.318 14.124 33.924 1.00 0.00 ATOM 624 C VAL 75 26.835 15.143 33.449 1.00 0.00 ATOM 625 N SER 76 25.574 15.465 33.617 1.00 0.00 ATOM 626 CA SER 76 24.602 14.505 34.164 1.00 0.00 ATOM 627 CB SER 76 24.133 15.525 35.535 1.00 0.00 ATOM 628 OG SER 76 23.088 16.224 34.845 1.00 0.00 ATOM 629 O SER 76 22.825 13.203 33.316 1.00 0.00 ATOM 630 C SER 76 23.500 14.203 33.152 1.00 0.00 ATOM 631 N ALA 77 23.399 15.042 32.122 1.00 0.00 ATOM 632 CA ALA 77 22.451 14.779 31.042 1.00 0.00 ATOM 633 CB ALA 77 21.031 15.075 31.542 1.00 0.00 ATOM 634 O ALA 77 23.582 16.531 29.866 1.00 0.00 ATOM 635 C ALA 77 22.829 15.569 29.779 1.00 0.00 ATOM 636 N TRP 78 22.242 15.162 28.636 1.00 0.00 ATOM 637 CA TRP 78 22.453 15.941 27.421 1.00 0.00 ATOM 638 CB TRP 78 23.852 15.670 26.890 1.00 0.00 ATOM 639 CG TRP 78 24.116 14.214 26.553 1.00 0.00 ATOM 640 CD1 TRP 78 24.006 13.610 25.303 1.00 0.00 ATOM 641 CD2 TRP 78 24.651 13.231 27.425 1.00 0.00 ATOM 642 CE2 TRP 78 24.838 12.007 26.684 1.00 0.00 ATOM 643 CE3 TRP 78 24.988 13.266 28.795 1.00 0.00 ATOM 644 NE1 TRP 78 24.447 12.275 25.383 1.00 0.00 ATOM 645 CZ2 TRP 78 25.334 10.829 27.268 1.00 0.00 ATOM 646 CZ3 TRP 78 25.480 12.066 29.363 1.00 0.00 ATOM 647 CH2 TRP 78 25.626 10.860 28.620 1.00 0.00 ATOM 648 O TRP 78 20.740 14.563 26.461 1.00 0.00 ATOM 649 C TRP 78 21.380 15.613 26.388 1.00 0.00 ATOM 650 N GLU 79 21.186 16.509 25.427 1.00 0.00 ATOM 651 CA GLU 79 20.184 16.298 24.386 1.00 0.00 ATOM 652 CB GLU 79 18.832 16.906 24.782 1.00 0.00 ATOM 653 CG GLU 79 17.746 16.629 23.743 1.00 0.00 ATOM 654 CD GLU 79 17.530 15.123 23.578 1.00 0.00 ATOM 655 OE1 GLU 79 18.307 14.495 22.836 1.00 0.00 ATOM 656 OE2 GLU 79 16.669 14.611 24.316 1.00 0.00 ATOM 657 O GLU 79 21.294 17.934 23.027 1.00 0.00 ATOM 658 C GLU 79 20.637 16.893 23.056 1.00 0.00 ATOM 659 N GLU 80 20.284 16.232 21.959 1.00 0.00 ATOM 660 CA GLU 80 20.663 16.708 20.643 1.00 0.00 ATOM 661 CB GLU 80 21.563 15.659 20.005 1.00 0.00 ATOM 662 CG GLU 80 21.925 16.007 18.558 1.00 0.00 ATOM 663 CD GLU 80 22.929 15.019 17.970 1.00 0.00 ATOM 664 OE1 GLU 80 22.881 13.855 18.402 1.00 0.00 ATOM 665 OE2 GLU 80 23.736 15.457 17.116 1.00 0.00 ATOM 666 O GLU 80 18.571 16.177 19.602 1.00 0.00 ATOM 667 C GLU 80 19.420 17.037 19.834 1.00 0.00 ATOM 668 N VAL 81 19.307 18.280 19.362 1.00 0.00 ATOM 669 CA VAL 81 18.137 18.708 18.605 1.00 0.00 ATOM 670 CB VAL 81 17.115 19.382 19.543 1.00 0.00 ATOM 671 CG1 VAL 81 16.519 18.400 20.554 1.00 0.00 ATOM 672 CG2 VAL 81 17.681 20.611 20.251 1.00 0.00 ATOM 673 O VAL 81 19.669 19.932 17.222 1.00 0.00 ATOM 674 C VAL 81 18.493 19.678 17.484 1.00 0.00 ATOM 675 N LYS 82 17.475 20.218 16.821 1.00 0.00 ATOM 676 CA LYS 82 17.696 21.168 15.721 1.00 0.00 ATOM 677 CB LYS 82 16.509 21.208 14.758 1.00 0.00 ATOM 678 CG LYS 82 16.455 19.950 13.899 1.00 0.00 ATOM 679 CD LYS 82 15.250 20.037 12.965 1.00 0.00 ATOM 680 CE LYS 82 15.177 18.729 12.214 1.00 0.00 ATOM 681 NZ LYS 82 14.046 18.751 11.310 1.00 0.00 ATOM 682 O LYS 82 17.559 22.803 17.507 1.00 0.00 ATOM 683 C LYS 82 17.875 22.591 16.337 1.00 0.00 ATOM 684 N LYS 83 18.372 23.534 15.542 1.00 0.00 ATOM 685 CA LYS 83 18.574 24.897 16.021 1.00 0.00 ATOM 686 CB LYS 83 18.942 25.820 14.840 1.00 0.00 ATOM 687 CG LYS 83 19.100 27.287 15.223 1.00 0.00 ATOM 688 CD LYS 83 19.562 28.132 14.044 1.00 0.00 ATOM 689 CE LYS 83 18.520 28.180 12.939 1.00 0.00 ATOM 690 NZ LYS 83 18.983 29.018 11.793 1.00 0.00 ATOM 691 O LYS 83 17.321 25.954 17.769 1.00 0.00 ATOM 692 C LYS 83 17.294 25.446 16.647 1.00 0.00 ATOM 693 N ASP 84 16.198 25.328 15.956 1.00 0.00 ATOM 694 CA ASP 84 14.936 25.843 16.468 1.00 0.00 ATOM 695 CB ASP 84 13.951 26.014 15.326 1.00 0.00 ATOM 696 CG ASP 84 14.386 27.023 14.257 1.00 0.00 ATOM 697 OD1 ASP 84 15.167 27.940 14.587 1.00 0.00 ATOM 698 OD2 ASP 84 14.004 26.795 13.091 1.00 0.00 ATOM 699 O ASP 84 13.413 25.432 18.270 1.00 0.00 ATOM 700 C ASP 84 14.335 24.993 17.583 1.00 0.00 ATOM 701 N GLU 85 14.838 23.770 17.779 1.00 0.00 ATOM 702 CA GLU 85 14.339 22.882 18.821 1.00 0.00 ATOM 703 CB GLU 85 14.025 21.485 18.157 1.00 0.00 ATOM 704 CG GLU 85 12.774 21.431 17.273 1.00 0.00 ATOM 705 CD GLU 85 12.987 21.995 15.877 1.00 0.00 ATOM 706 OE1 GLU 85 14.106 22.454 15.570 1.00 0.00 ATOM 707 OE2 GLU 85 12.023 21.973 15.079 1.00 0.00 ATOM 708 O GLU 85 14.773 22.498 21.159 1.00 0.00 ATOM 709 C GLU 85 15.167 23.003 20.106 1.00 0.00 ATOM 710 N LEU 86 16.244 23.773 20.037 1.00 0.00 ATOM 711 CA LEU 86 17.152 23.975 21.186 1.00 0.00 ATOM 712 CB LEU 86 18.411 24.751 20.771 1.00 0.00 ATOM 713 CG LEU 86 19.308 25.085 21.962 1.00 0.00 ATOM 714 CD1 LEU 86 19.949 23.830 22.543 1.00 0.00 ATOM 715 CD2 LEU 86 20.445 25.973 21.495 1.00 0.00 ATOM 716 O LEU 86 16.373 24.029 23.420 1.00 0.00 ATOM 717 C LEU 86 16.422 24.650 22.333 1.00 0.00 ATOM 718 N PRO 87 15.834 25.836 22.211 1.00 0.00 ATOM 719 CA PRO 87 15.108 26.456 23.319 1.00 0.00 ATOM 720 CB PRO 87 14.736 27.864 22.830 1.00 0.00 ATOM 721 CG PRO 87 14.807 27.701 21.313 1.00 0.00 ATOM 722 CD PRO 87 15.971 26.736 21.041 1.00 0.00 ATOM 723 O PRO 87 13.580 25.678 25.023 1.00 0.00 ATOM 724 C PRO 87 13.918 25.611 23.840 1.00 0.00 ATOM 725 N ALA 88 13.302 24.832 22.958 1.00 0.00 ATOM 726 CA ALA 88 12.173 23.994 23.347 1.00 0.00 ATOM 727 CB ALA 88 11.559 23.320 22.123 1.00 0.00 ATOM 728 O ALA 88 12.184 22.968 25.521 1.00 0.00 ATOM 729 C ALA 88 12.657 22.961 24.383 1.00 0.00 ATOM 730 N LYS 89 13.809 22.362 24.086 1.00 0.00 ATOM 731 CA LYS 89 14.475 21.423 25.010 1.00 0.00 ATOM 732 CB LYS 89 15.538 20.599 24.283 1.00 0.00 ATOM 733 CG LYS 89 14.893 19.563 23.366 1.00 0.00 ATOM 734 CD LYS 89 14.049 18.564 24.155 1.00 0.00 ATOM 735 CE LYS 89 13.284 17.658 23.201 1.00 0.00 ATOM 736 NZ LYS 89 12.391 16.785 23.964 1.00 0.00 ATOM 737 O LYS 89 14.985 21.561 27.356 1.00 0.00 ATOM 738 C LYS 89 15.078 22.091 26.245 1.00 0.00 ATOM 739 N VAL 90 15.555 23.315 26.061 1.00 0.00 ATOM 740 CA VAL 90 16.106 24.122 27.162 1.00 0.00 ATOM 741 CB VAL 90 16.441 25.477 26.723 1.00 0.00 ATOM 742 CG1 VAL 90 16.700 26.350 27.967 1.00 0.00 ATOM 743 CG2 VAL 90 17.695 25.411 25.909 1.00 0.00 ATOM 744 O VAL 90 15.136 24.107 29.364 1.00 0.00 ATOM 745 C VAL 90 14.980 24.377 28.173 1.00 0.00 ATOM 746 N LYS 91 13.852 24.892 27.693 1.00 0.00 ATOM 747 CA LYS 91 12.717 25.171 28.565 1.00 0.00 ATOM 748 CB LYS 91 11.620 25.905 27.782 1.00 0.00 ATOM 749 CG LYS 91 12.025 27.347 27.469 1.00 0.00 ATOM 750 CD LYS 91 10.892 28.057 26.742 1.00 0.00 ATOM 751 CE LYS 91 11.279 29.499 26.413 1.00 0.00 ATOM 752 NZ LYS 91 10.207 30.183 25.682 1.00 0.00 ATOM 753 O LYS 91 11.821 23.890 30.378 1.00 0.00 ATOM 754 C LYS 91 12.155 23.894 29.199 1.00 0.00 ATOM 755 N GLU 92 12.221 22.788 28.444 1.00 0.00 ATOM 756 CA GLU 92 11.718 21.484 28.905 1.00 0.00 ATOM 757 CB GLU 92 11.786 20.486 27.749 1.00 0.00 ATOM 758 CG GLU 92 11.129 19.142 28.096 1.00 0.00 ATOM 759 CD GLU 92 11.364 18.099 26.991 1.00 0.00 ATOM 760 OE1 GLU 92 10.792 18.252 25.905 1.00 0.00 ATOM 761 OE2 GLU 92 12.098 17.117 27.220 1.00 0.00 ATOM 762 O GLU 92 11.992 20.574 31.130 1.00 0.00 ATOM 763 C GLU 92 12.557 20.978 30.112 1.00 0.00 ATOM 764 N LYS 93 13.877 20.944 29.958 1.00 0.00 ATOM 765 CA LYS 93 14.746 20.419 31.005 1.00 0.00 ATOM 766 CB LYS 93 16.159 20.211 30.457 1.00 0.00 ATOM 767 CG LYS 93 16.171 19.230 29.290 1.00 0.00 ATOM 768 CD LYS 93 15.545 17.902 29.711 1.00 0.00 ATOM 769 CE LYS 93 15.580 16.972 28.531 1.00 0.00 ATOM 770 NZ LYS 93 15.044 15.637 28.763 1.00 0.00 ATOM 771 O LYS 93 14.687 20.774 33.385 1.00 0.00 ATOM 772 C LYS 93 14.677 21.292 32.267 1.00 0.00 ATOM 773 N LEU 94 14.571 22.604 32.081 1.00 0.00 ATOM 774 CA LEU 94 14.457 23.520 33.211 1.00 0.00 ATOM 775 CB LEU 94 14.501 24.951 32.697 1.00 0.00 ATOM 776 CG LEU 94 14.777 26.074 33.695 1.00 0.00 ATOM 777 CD1 LEU 94 16.046 25.761 34.479 1.00 0.00 ATOM 778 CD2 LEU 94 14.932 27.389 32.927 1.00 0.00 ATOM 779 O LEU 94 12.899 23.830 34.982 1.00 0.00 ATOM 780 C LEU 94 13.062 23.414 33.843 1.00 0.00 ATOM 781 N GLY 95 12.106 22.905 33.072 1.00 0.00 ATOM 782 CA GLY 95 10.694 22.801 33.472 1.00 0.00 ATOM 783 O GLY 95 9.218 24.465 34.372 1.00 0.00 ATOM 784 C GLY 95 10.035 24.176 33.497 1.00 0.00 ATOM 785 N VAL 96 10.392 25.023 32.536 1.00 0.00 ATOM 786 CA VAL 96 9.821 26.375 32.459 1.00 0.00 ATOM 787 CB VAL 96 10.943 27.425 32.357 1.00 0.00 ATOM 788 CG1 VAL 96 10.342 28.807 32.089 1.00 0.00 ATOM 789 CG2 VAL 96 11.748 27.435 33.644 1.00 0.00 ATOM 790 O VAL 96 9.459 26.166 30.086 1.00 0.00 ATOM 791 C VAL 96 8.990 26.514 31.171 1.00 0.00 ATOM 792 N LYS 97 7.768 27.020 31.299 1.00 0.00 ATOM 793 CA LYS 97 6.898 27.197 30.142 1.00 0.00 ATOM 794 CB LYS 97 5.497 27.580 30.619 1.00 0.00 ATOM 795 CG LYS 97 5.440 28.898 31.417 1.00 0.00 ATOM 796 CD LYS 97 6.004 28.772 32.846 1.00 0.00 ATOM 797 CE LYS 97 5.128 27.903 33.740 1.00 0.00 ATOM 798 NZ LYS 97 3.767 28.472 33.996 1.00 0.00 ATOM 799 O LYS 97 7.709 28.004 28.018 1.00 0.00 ATOM 800 C LYS 97 7.432 28.270 29.193 1.00 0.00 TER END