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 5 Thu Jul 24 12:05:46 2008 MODEL 5 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 20.377 35.203 32.157 1.00 0.00 ATOM 2 CA MET 1 21.631 34.815 32.796 1.00 0.00 ATOM 3 CB MET 1 22.824 35.477 32.135 1.00 0.00 ATOM 4 CG MET 1 22.927 37.013 32.373 1.00 0.00 ATOM 5 SD MET 1 21.647 37.919 31.465 1.00 0.00 ATOM 6 CE MET 1 22.236 37.781 29.762 1.00 0.00 ATOM 7 O MET 1 22.627 34.562 34.962 1.00 0.00 ATOM 8 C MET 1 21.714 35.056 34.300 1.00 0.00 ATOM 9 N ASP 2 20.762 35.775 34.859 1.00 0.00 ATOM 10 CA ASP 2 20.768 36.016 36.311 1.00 0.00 ATOM 11 CB ASP 2 20.432 37.481 36.637 1.00 0.00 ATOM 12 CG ASP 2 21.491 38.464 36.133 1.00 0.00 ATOM 13 OD1 ASP 2 22.606 38.013 35.793 1.00 0.00 ATOM 14 OD2 ASP 2 21.159 39.667 36.086 1.00 0.00 ATOM 15 O ASP 2 18.626 34.958 36.526 1.00 0.00 ATOM 16 C ASP 2 19.767 35.070 36.970 1.00 0.00 ATOM 17 N LEU 3 20.244 34.356 38.021 1.00 0.00 ATOM 18 CA LEU 3 19.369 33.443 38.745 1.00 0.00 ATOM 19 CB LEU 3 20.216 32.377 39.459 1.00 0.00 ATOM 20 CG LEU 3 20.971 31.314 38.666 1.00 0.00 ATOM 21 CD1 LEU 3 21.864 31.958 37.625 1.00 0.00 ATOM 22 CD2 LEU 3 21.793 30.469 39.635 1.00 0.00 ATOM 23 O LEU 3 18.847 34.982 40.496 1.00 0.00 ATOM 24 C LEU 3 18.415 34.247 39.617 1.00 0.00 ATOM 25 N ASN 4 17.136 34.032 39.384 1.00 0.00 ATOM 26 CA ASN 4 16.143 34.769 40.183 1.00 0.00 ATOM 27 CB ASN 4 15.129 35.453 39.289 1.00 0.00 ATOM 28 CG ASN 4 15.860 36.488 38.439 1.00 0.00 ATOM 29 ND2 ASN 4 15.944 36.168 37.183 1.00 0.00 ATOM 30 OD1 ASN 4 16.279 37.541 38.881 1.00 0.00 ATOM 31 O ASN 4 14.906 34.428 42.211 1.00 0.00 ATOM 32 C ASN 4 15.377 33.921 41.192 1.00 0.00 ATOM 33 N ARG 5 15.255 32.627 40.909 1.00 0.00 ATOM 34 CA ARG 5 14.545 31.726 41.800 1.00 0.00 ATOM 35 CB ARG 5 13.055 31.888 41.522 1.00 0.00 ATOM 36 CG ARG 5 12.207 31.127 42.528 1.00 0.00 ATOM 37 CD ARG 5 10.761 31.444 42.233 1.00 0.00 ATOM 38 NE ARG 5 9.857 30.704 43.120 1.00 0.00 ATOM 39 CZ ARG 5 8.537 30.781 43.050 1.00 0.00 ATOM 40 NH1 ARG 5 7.771 30.105 43.895 1.00 0.00 ATOM 41 NH2 ARG 5 7.913 31.356 42.044 1.00 0.00 ATOM 42 O ARG 5 15.576 30.099 40.386 1.00 0.00 ATOM 43 C ARG 5 15.022 30.316 41.463 1.00 0.00 ATOM 44 N MET 6 14.666 29.534 42.447 1.00 0.00 ATOM 45 CA MET 6 15.033 28.123 42.311 1.00 0.00 ATOM 46 CB MET 6 16.140 27.842 43.342 1.00 0.00 ATOM 47 CG MET 6 16.552 26.358 43.284 1.00 0.00 ATOM 48 SD MET 6 18.053 26.204 44.333 1.00 0.00 ATOM 49 CE MET 6 18.336 24.466 44.349 1.00 0.00 ATOM 50 O MET 6 13.120 27.607 43.648 1.00 0.00 ATOM 51 C MET 6 13.929 27.200 42.804 1.00 0.00 ATOM 52 N GLY 7 13.882 26.053 42.150 1.00 0.00 ATOM 53 CA GLY 7 13.157 24.890 42.655 1.00 0.00 ATOM 54 O GLY 7 15.047 24.268 44.002 1.00 0.00 ATOM 55 C GLY 7 14.089 23.882 43.330 1.00 0.00 ATOM 56 N LYS 8 13.806 22.596 43.148 1.00 0.00 ATOM 57 CA LYS 8 14.628 21.551 43.746 1.00 0.00 ATOM 58 CB LYS 8 13.944 20.193 43.640 1.00 0.00 ATOM 59 CG LYS 8 14.671 19.075 44.401 1.00 0.00 ATOM 60 CD LYS 8 13.816 17.810 44.377 1.00 0.00 ATOM 61 CE LYS 8 14.496 16.685 45.142 1.00 0.00 ATOM 62 NZ LYS 8 13.643 15.500 45.302 1.00 0.00 ATOM 63 O LYS 8 17.008 21.640 43.575 1.00 0.00 ATOM 64 C LYS 8 15.944 21.503 42.968 1.00 0.00 ATOM 65 N ASP 9 15.804 21.173 41.681 1.00 0.00 ATOM 66 CA ASP 9 16.910 20.958 40.744 1.00 0.00 ATOM 67 CB ASP 9 16.588 19.628 40.047 1.00 0.00 ATOM 68 CG ASP 9 15.557 19.712 38.909 1.00 0.00 ATOM 69 OD1 ASP 9 14.723 20.643 38.919 1.00 0.00 ATOM 70 OD2 ASP 9 15.613 18.787 38.064 1.00 0.00 ATOM 71 O ASP 9 17.347 21.789 38.534 1.00 0.00 ATOM 72 C ASP 9 16.908 22.039 39.660 1.00 0.00 ATOM 73 N GLU 10 16.109 23.057 39.842 1.00 0.00 ATOM 74 CA GLU 10 15.912 23.967 38.723 1.00 0.00 ATOM 75 CB GLU 10 14.491 23.723 38.175 1.00 0.00 ATOM 76 CG GLU 10 13.366 24.092 39.139 1.00 0.00 ATOM 77 CD GLU 10 12.011 24.169 38.436 1.00 0.00 ATOM 78 OE1 GLU 10 11.789 25.131 37.679 1.00 0.00 ATOM 79 OE2 GLU 10 11.139 23.319 38.707 1.00 0.00 ATOM 80 O GLU 10 15.901 25.804 40.272 1.00 0.00 ATOM 81 C GLU 10 16.238 25.373 39.162 1.00 0.00 ATOM 82 N TYR 11 16.838 26.092 38.223 1.00 0.00 ATOM 83 CA TYR 11 16.980 27.529 38.381 1.00 0.00 ATOM 84 CB TYR 11 18.436 27.855 38.275 1.00 0.00 ATOM 85 CG TYR 11 18.948 28.161 39.655 1.00 0.00 ATOM 86 CD1 TYR 11 18.296 28.941 40.573 1.00 0.00 ATOM 87 CD2 TYR 11 20.097 27.538 39.990 1.00 0.00 ATOM 88 CE1 TYR 11 18.786 29.064 41.848 1.00 0.00 ATOM 89 CE2 TYR 11 20.579 27.598 41.289 1.00 0.00 ATOM 90 CZ TYR 11 19.910 28.358 42.224 1.00 0.00 ATOM 91 OH TYR 11 20.419 28.481 43.478 1.00 0.00 ATOM 92 O TYR 11 16.528 28.114 36.098 1.00 0.00 ATOM 93 C TYR 11 16.387 28.409 37.285 1.00 0.00 ATOM 94 N TYR 12 15.724 29.489 37.685 1.00 0.00 ATOM 95 CA TYR 12 15.145 30.359 36.750 1.00 0.00 ATOM 96 CB TYR 12 13.835 30.993 37.200 1.00 0.00 ATOM 97 CG TYR 12 12.740 29.919 37.339 1.00 0.00 ATOM 98 CD1 TYR 12 11.925 29.595 36.262 1.00 0.00 ATOM 99 CD2 TYR 12 12.604 29.246 38.540 1.00 0.00 ATOM 100 CE1 TYR 12 10.959 28.597 36.397 1.00 0.00 ATOM 101 CE2 TYR 12 11.632 28.267 38.663 1.00 0.00 ATOM 102 CZ TYR 12 10.795 27.957 37.607 1.00 0.00 ATOM 103 OH TYR 12 9.752 27.109 37.818 1.00 0.00 ATOM 104 O TYR 12 16.719 32.037 37.382 1.00 0.00 ATOM 105 C TYR 12 16.203 31.394 36.467 1.00 0.00 ATOM 106 N VAL 13 16.537 31.564 35.191 1.00 0.00 ATOM 107 CA VAL 13 17.546 32.538 34.796 1.00 0.00 ATOM 108 CB VAL 13 18.680 31.809 34.049 1.00 0.00 ATOM 109 CG1 VAL 13 19.469 30.819 34.899 1.00 0.00 ATOM 110 CG2 VAL 13 18.135 30.860 33.003 1.00 0.00 ATOM 111 O VAL 13 16.137 33.258 32.981 1.00 0.00 ATOM 112 C VAL 13 16.829 33.595 33.943 1.00 0.00 ATOM 113 N GLN 14 16.999 34.866 34.296 1.00 0.00 ATOM 114 CA GLN 14 16.367 35.949 33.554 1.00 0.00 ATOM 115 CB GLN 14 15.859 37.038 34.467 1.00 0.00 ATOM 116 CG GLN 14 15.206 38.205 33.738 1.00 0.00 ATOM 117 CD GLN 14 14.729 39.258 34.714 1.00 0.00 ATOM 118 OE1 GLN 14 14.697 39.156 35.933 1.00 0.00 ATOM 119 NE2 GLN 14 14.275 40.320 34.126 1.00 0.00 ATOM 120 O GLN 14 18.535 36.862 33.091 1.00 0.00 ATOM 121 C GLN 14 17.417 36.567 32.652 1.00 0.00 ATOM 122 N ILE 15 17.025 36.722 31.407 1.00 0.00 ATOM 123 CA ILE 15 17.844 37.390 30.397 1.00 0.00 ATOM 124 CB ILE 15 18.168 36.462 29.227 1.00 0.00 ATOM 125 CG1 ILE 15 19.188 37.190 28.370 1.00 0.00 ATOM 126 CG2 ILE 15 16.969 35.800 28.537 1.00 0.00 ATOM 127 CD1 ILE 15 20.104 36.192 27.731 1.00 0.00 ATOM 128 O ILE 15 16.096 38.476 29.217 1.00 0.00 ATOM 129 C ILE 15 17.158 38.611 29.828 1.00 0.00 ATOM 130 N THR 16 17.988 39.624 29.676 1.00 0.00 ATOM 131 CA THR 16 17.606 40.781 28.872 1.00 0.00 ATOM 132 CB THR 16 17.581 42.051 29.723 1.00 0.00 ATOM 133 CG2 THR 16 17.061 43.239 28.914 1.00 0.00 ATOM 134 OG1 THR 16 16.743 41.832 30.861 1.00 0.00 ATOM 135 O THR 16 19.763 40.964 27.838 1.00 0.00 ATOM 136 C THR 16 18.541 40.970 27.683 1.00 0.00 ATOM 137 N VAL 17 17.966 41.139 26.497 1.00 0.00 ATOM 138 CA VAL 17 18.758 41.325 25.308 1.00 0.00 ATOM 139 CB VAL 17 18.976 40.027 24.424 1.00 0.00 ATOM 140 CG1 VAL 17 20.143 40.198 23.427 1.00 0.00 ATOM 141 CG2 VAL 17 19.134 38.717 25.174 1.00 0.00 ATOM 142 O VAL 17 17.094 42.554 24.094 1.00 0.00 ATOM 143 C VAL 17 18.274 42.481 24.440 1.00 0.00 ATOM 144 N ASP 18 19.185 43.383 24.090 1.00 0.00 ATOM 145 CA ASP 18 18.833 44.529 23.260 1.00 0.00 ATOM 146 CB ASP 18 20.039 45.439 23.073 1.00 0.00 ATOM 147 CG ASP 18 20.430 46.221 24.329 1.00 0.00 ATOM 148 OD1 ASP 18 19.604 46.296 25.260 1.00 0.00 ATOM 149 OD2 ASP 18 21.575 46.727 24.337 1.00 0.00 ATOM 150 O ASP 18 17.476 44.728 21.292 1.00 0.00 ATOM 151 C ASP 18 18.297 44.053 21.914 1.00 0.00 ATOM 152 N GLY 19 18.762 42.891 21.467 1.00 0.00 ATOM 153 CA GLY 19 18.313 42.322 20.171 1.00 0.00 ATOM 154 O GLY 19 16.463 41.008 19.263 1.00 0.00 ATOM 155 C GLY 19 16.922 41.565 20.261 1.00 0.00 ATOM 156 N LYS 20 16.301 41.567 21.435 1.00 0.00 ATOM 157 CA LYS 20 15.017 40.899 21.612 1.00 0.00 ATOM 158 CB LYS 20 14.512 41.047 23.049 1.00 0.00 ATOM 159 CG LYS 20 14.076 42.495 23.344 1.00 0.00 ATOM 160 CD LYS 20 13.544 42.575 24.759 1.00 0.00 ATOM 161 CE LYS 20 12.919 43.918 25.095 1.00 0.00 ATOM 162 NZ LYS 20 12.399 43.920 26.478 1.00 0.00 ATOM 163 O LYS 20 12.803 40.791 20.724 1.00 0.00 ATOM 164 C LYS 20 13.877 41.386 20.715 1.00 0.00 ATOM 165 N GLU 21 14.006 42.558 19.985 1.00 0.00 ATOM 166 CA GLU 21 12.942 43.037 19.105 1.00 0.00 ATOM 167 CB GLU 21 13.615 44.103 18.230 1.00 0.00 ATOM 168 CG GLU 21 12.573 44.862 17.403 1.00 0.00 ATOM 169 CD GLU 21 13.199 45.938 16.508 1.00 0.00 ATOM 170 OE1 GLU 21 14.411 46.198 16.639 1.00 0.00 ATOM 171 OE2 GLU 21 12.453 46.439 15.642 1.00 0.00 ATOM 172 O GLU 21 11.177 42.076 17.772 1.00 0.00 ATOM 173 C GLU 21 12.349 41.991 18.138 1.00 0.00 ATOM 174 N VAL 22 13.162 41.019 17.735 1.00 0.00 ATOM 175 CA VAL 22 12.701 39.979 16.823 1.00 0.00 ATOM 176 CB VAL 22 13.418 40.020 15.462 1.00 0.00 ATOM 177 CG1 VAL 22 13.177 41.332 14.745 1.00 0.00 ATOM 178 CG2 VAL 22 14.919 39.778 15.625 1.00 0.00 ATOM 179 O VAL 22 12.620 37.590 16.641 1.00 0.00 ATOM 180 C VAL 22 12.816 38.565 17.366 1.00 0.00 ATOM 181 N HIS 23 13.264 38.460 18.618 1.00 0.00 ATOM 182 CA HIS 23 13.543 37.173 19.239 1.00 0.00 ATOM 183 CB HIS 23 12.261 36.291 19.222 1.00 0.00 ATOM 184 CG HIS 23 11.035 36.965 19.889 1.00 0.00 ATOM 185 CD2 HIS 23 9.780 37.004 19.443 1.00 0.00 ATOM 186 ND1 HIS 23 11.050 37.696 20.993 1.00 0.00 ATOM 187 CE1 HIS 23 9.869 38.240 21.209 1.00 0.00 ATOM 188 NE2 HIS 23 9.058 37.759 20.276 1.00 0.00 ATOM 189 O HIS 23 15.854 36.579 19.430 1.00 0.00 ATOM 190 C HIS 23 14.883 36.612 18.688 1.00 0.00 ATOM 191 N SER 24 14.982 36.375 17.382 1.00 0.00 ATOM 192 CA SER 24 16.221 35.957 16.677 1.00 0.00 ATOM 193 CB SER 24 15.974 35.576 15.214 1.00 0.00 ATOM 194 OG SER 24 17.192 35.050 14.680 1.00 0.00 ATOM 195 O SER 24 17.148 38.092 16.101 1.00 0.00 ATOM 196 C SER 24 17.321 37.038 16.706 1.00 0.00 ATOM 197 N LYS 25 18.491 36.722 17.229 1.00 0.00 ATOM 198 CA LYS 25 19.650 37.622 17.241 1.00 0.00 ATOM 199 CB LYS 25 20.656 37.161 18.311 1.00 0.00 ATOM 200 CG LYS 25 21.969 37.946 18.313 1.00 0.00 ATOM 201 CD LYS 25 21.762 39.395 18.766 1.00 0.00 ATOM 202 CE LYS 25 23.089 40.143 18.720 1.00 0.00 ATOM 203 NZ LYS 25 22.897 41.530 19.173 1.00 0.00 ATOM 204 O LYS 25 20.960 36.534 15.629 1.00 0.00 ATOM 205 C LYS 25 20.270 37.507 15.855 1.00 0.00 ATOM 206 N ALA 26 20.313 38.587 15.104 1.00 0.00 ATOM 207 CA ALA 26 20.822 38.503 13.719 1.00 0.00 ATOM 208 CB ALA 26 20.623 39.806 12.979 1.00 0.00 ATOM 209 O ALA 26 22.599 37.364 12.578 1.00 0.00 ATOM 210 C ALA 26 22.258 38.014 13.567 1.00 0.00 ATOM 211 N ASP 27 23.099 38.328 14.548 1.00 0.00 ATOM 212 CA ASP 27 24.491 37.911 14.507 1.00 0.00 ATOM 213 CB ASP 27 25.350 38.804 15.382 1.00 0.00 ATOM 214 CG ASP 27 25.561 40.194 14.782 1.00 0.00 ATOM 215 OD1 ASP 27 25.097 40.534 13.677 1.00 0.00 ATOM 216 OD2 ASP 27 26.196 40.945 15.514 1.00 0.00 ATOM 217 O ASP 27 25.696 35.818 14.489 1.00 0.00 ATOM 218 C ASP 27 24.710 36.433 14.902 1.00 0.00 ATOM 219 N ASN 28 23.795 35.880 15.691 1.00 0.00 ATOM 220 CA ASN 28 23.906 34.490 16.120 1.00 0.00 ATOM 221 CB ASN 28 23.928 34.383 17.630 1.00 0.00 ATOM 222 CG ASN 28 25.103 35.044 18.312 1.00 0.00 ATOM 223 ND2 ASN 28 24.807 36.092 19.030 1.00 0.00 ATOM 224 OD1 ASN 28 26.274 34.835 18.069 1.00 0.00 ATOM 225 O ASN 28 22.951 32.327 15.523 1.00 0.00 ATOM 226 C ASN 28 22.811 33.542 15.588 1.00 0.00 ATOM 227 N GLY 29 21.703 34.159 15.223 1.00 0.00 ATOM 228 CA GLY 29 20.452 33.513 14.791 1.00 0.00 ATOM 229 O GLY 29 18.564 32.375 15.736 1.00 0.00 ATOM 230 C GLY 29 19.572 33.041 15.952 1.00 0.00 ATOM 231 N GLN 30 19.909 33.430 17.173 1.00 0.00 ATOM 232 CA GLN 30 19.162 32.955 18.358 1.00 0.00 ATOM 233 CB GLN 30 19.879 33.327 19.646 1.00 0.00 ATOM 234 CG GLN 30 19.389 32.583 20.873 1.00 0.00 ATOM 235 CD GLN 30 20.193 32.984 22.091 1.00 0.00 ATOM 236 OE1 GLN 30 21.328 33.422 22.095 1.00 0.00 ATOM 237 NE2 GLN 30 19.610 32.728 23.214 1.00 0.00 ATOM 238 O GLN 30 17.791 34.792 18.822 1.00 0.00 ATOM 239 C GLN 30 17.807 33.633 18.456 1.00 0.00 ATOM 240 N LYS 31 16.775 32.830 18.557 1.00 0.00 ATOM 241 CA LYS 31 15.428 33.366 18.834 1.00 0.00 ATOM 242 CB LYS 31 14.382 32.480 18.179 1.00 0.00 ATOM 243 CG LYS 31 12.984 33.085 18.250 1.00 0.00 ATOM 244 CD LYS 31 12.009 32.159 17.566 1.00 0.00 ATOM 245 CE LYS 31 10.606 32.737 17.699 1.00 0.00 ATOM 246 NZ LYS 31 9.683 31.984 16.858 1.00 0.00 ATOM 247 O LYS 31 15.436 32.301 20.996 1.00 0.00 ATOM 248 C LYS 31 15.162 33.313 20.350 1.00 0.00 ATOM 249 N TYR 32 14.628 34.398 20.902 1.00 0.00 ATOM 250 CA TYR 32 14.333 34.452 22.329 1.00 0.00 ATOM 251 CB TYR 32 15.640 34.488 23.119 1.00 0.00 ATOM 252 CG TYR 32 16.628 35.553 22.669 1.00 0.00 ATOM 253 CD1 TYR 32 16.505 36.873 23.068 1.00 0.00 ATOM 254 CD2 TYR 32 17.645 35.197 21.811 1.00 0.00 ATOM 255 CE1 TYR 32 17.399 37.817 22.585 1.00 0.00 ATOM 256 CE2 TYR 32 18.560 36.133 21.331 1.00 0.00 ATOM 257 CZ TYR 32 18.435 37.453 21.712 1.00 0.00 ATOM 258 OH TYR 32 19.236 38.377 21.125 1.00 0.00 ATOM 259 O TYR 32 13.713 36.739 21.961 1.00 0.00 ATOM 260 C TYR 32 13.574 35.735 22.650 1.00 0.00 ATOM 261 N LYS 33 12.882 35.728 23.755 1.00 0.00 ATOM 262 CA LYS 33 12.170 36.943 24.193 1.00 0.00 ATOM 263 CB LYS 33 10.697 36.630 24.458 1.00 0.00 ATOM 264 CG LYS 33 10.035 35.842 23.319 1.00 0.00 ATOM 265 CD LYS 33 8.515 35.897 23.404 1.00 0.00 ATOM 266 CE LYS 33 7.842 35.352 22.135 1.00 0.00 ATOM 267 NZ LYS 33 6.415 35.102 22.366 1.00 0.00 ATOM 268 O LYS 33 13.920 36.848 25.785 1.00 0.00 ATOM 269 C LYS 33 12.933 37.465 25.419 1.00 0.00 ATOM 270 N ASP 34 12.577 38.620 25.951 1.00 0.00 ATOM 271 CA ASP 34 13.255 39.142 27.178 1.00 0.00 ATOM 272 CB ASP 34 12.793 40.585 27.328 1.00 0.00 ATOM 273 CG ASP 34 13.595 41.344 28.378 1.00 0.00 ATOM 274 OD1 ASP 34 14.811 41.493 28.176 1.00 0.00 ATOM 275 OD2 ASP 34 12.944 41.890 29.292 1.00 0.00 ATOM 276 O ASP 34 11.746 38.435 28.905 1.00 0.00 ATOM 277 C ASP 34 12.694 38.143 28.186 1.00 0.00 ATOM 278 N TYR 35 13.388 37.080 28.344 1.00 0.00 ATOM 279 CA TYR 35 12.905 36.012 29.197 1.00 0.00 ATOM 280 CB TYR 35 12.904 34.943 28.109 1.00 0.00 ATOM 281 CG TYR 35 11.480 34.793 27.588 1.00 0.00 ATOM 282 CD1 TYR 35 10.479 35.733 27.796 1.00 0.00 ATOM 283 CD2 TYR 35 11.203 33.630 26.902 1.00 0.00 ATOM 284 CE1 TYR 35 9.190 35.526 27.344 1.00 0.00 ATOM 285 CE2 TYR 35 9.905 33.450 26.443 1.00 0.00 ATOM 286 CZ TYR 35 8.902 34.369 26.659 1.00 0.00 ATOM 287 OH TYR 35 7.741 34.169 25.984 1.00 0.00 ATOM 288 O TYR 35 14.650 35.596 30.737 1.00 0.00 ATOM 289 C TYR 35 13.529 35.284 30.349 1.00 0.00 ATOM 290 N GLU 36 12.669 34.249 30.788 1.00 0.00 ATOM 291 CA GLU 36 13.147 33.375 31.854 1.00 0.00 ATOM 292 CB GLU 36 12.164 33.284 33.004 1.00 0.00 ATOM 293 CG GLU 36 12.061 34.595 33.793 1.00 0.00 ATOM 294 CD GLU 36 11.191 34.439 35.041 1.00 0.00 ATOM 295 OE1 GLU 36 10.768 33.302 35.373 1.00 0.00 ATOM 296 OE2 GLU 36 11.115 35.424 35.794 1.00 0.00 ATOM 297 O GLU 36 12.489 31.501 30.459 1.00 0.00 ATOM 298 C GLU 36 13.286 31.976 31.259 1.00 0.00 ATOM 299 N TYR 37 14.332 31.312 31.652 1.00 0.00 ATOM 300 CA TYR 37 14.538 29.919 31.272 1.00 0.00 ATOM 301 CB TYR 37 15.822 29.785 30.458 1.00 0.00 ATOM 302 CG TYR 37 15.757 30.540 29.149 1.00 0.00 ATOM 303 CD1 TYR 37 14.987 30.065 28.092 1.00 0.00 ATOM 304 CD2 TYR 37 16.442 31.737 28.966 1.00 0.00 ATOM 305 CE1 TYR 37 14.886 30.770 26.871 1.00 0.00 ATOM 306 CE2 TYR 37 16.354 32.453 27.748 1.00 0.00 ATOM 307 CZ TYR 37 15.578 31.948 26.695 1.00 0.00 ATOM 308 OH TYR 37 15.449 32.611 25.482 1.00 0.00 ATOM 309 O TYR 37 15.326 29.630 33.498 1.00 0.00 ATOM 310 C TYR 37 14.813 29.106 32.510 1.00 0.00 ATOM 311 N LYS 38 14.559 27.821 32.368 1.00 0.00 ATOM 312 CA LYS 38 14.984 26.931 33.427 1.00 0.00 ATOM 313 CB LYS 38 13.830 26.310 34.176 1.00 0.00 ATOM 314 CG LYS 38 12.571 25.772 33.546 1.00 0.00 ATOM 315 CD LYS 38 11.743 25.497 34.790 1.00 0.00 ATOM 316 CE LYS 38 10.417 24.863 34.445 1.00 0.00 ATOM 317 NZ LYS 38 9.515 24.993 35.588 1.00 0.00 ATOM 318 O LYS 38 15.930 25.248 32.035 1.00 0.00 ATOM 319 C LYS 38 16.145 25.985 32.991 1.00 0.00 ATOM 320 N LEU 39 17.180 26.158 33.691 1.00 0.00 ATOM 321 CA LEU 39 18.300 25.238 33.366 1.00 0.00 ATOM 322 CB LEU 39 19.558 26.109 33.430 1.00 0.00 ATOM 323 CG LEU 39 20.852 25.340 33.167 1.00 0.00 ATOM 324 CD1 LEU 39 20.907 24.760 31.753 1.00 0.00 ATOM 325 CD2 LEU 39 22.028 26.285 33.389 1.00 0.00 ATOM 326 O LEU 39 17.860 24.344 35.548 1.00 0.00 ATOM 327 C LEU 39 18.247 24.120 34.401 1.00 0.00 ATOM 328 N THR 40 18.638 22.916 33.996 1.00 0.00 ATOM 329 CA THR 40 18.631 21.779 34.900 1.00 0.00 ATOM 330 CB THR 40 17.355 20.933 34.751 1.00 0.00 ATOM 331 CG2 THR 40 16.114 21.745 35.139 1.00 0.00 ATOM 332 OG1 THR 40 17.223 20.375 33.445 1.00 0.00 ATOM 333 O THR 40 20.482 20.853 33.659 1.00 0.00 ATOM 334 C THR 40 19.845 20.871 34.715 1.00 0.00 ATOM 335 N GLY 41 20.069 20.114 35.778 1.00 0.00 ATOM 336 CA GLY 41 21.105 19.080 35.870 1.00 0.00 ATOM 337 O GLY 41 19.361 17.572 36.536 1.00 0.00 ATOM 338 C GLY 41 20.509 17.697 36.108 1.00 0.00 ATOM 339 N PHE 42 21.291 16.658 35.830 1.00 0.00 ATOM 340 CA PHE 42 20.826 15.306 36.019 1.00 0.00 ATOM 341 CB PHE 42 20.421 14.689 34.694 1.00 0.00 ATOM 342 CG PHE 42 19.098 15.173 34.148 1.00 0.00 ATOM 343 CD1 PHE 42 19.026 16.339 33.414 1.00 0.00 ATOM 344 CD2 PHE 42 17.941 14.449 34.360 1.00 0.00 ATOM 345 CE1 PHE 42 17.829 16.778 32.885 1.00 0.00 ATOM 346 CE2 PHE 42 16.734 14.874 33.841 1.00 0.00 ATOM 347 CZ PHE 42 16.684 16.036 33.093 1.00 0.00 ATOM 348 O PHE 42 23.051 14.471 35.848 1.00 0.00 ATOM 349 C PHE 42 21.982 14.457 36.462 1.00 0.00 ATOM 350 N ASP 43 21.781 13.708 37.541 1.00 0.00 ATOM 351 CA ASP 43 22.829 12.841 38.066 1.00 0.00 ATOM 352 CB ASP 43 22.517 12.343 39.477 1.00 0.00 ATOM 353 CG ASP 43 23.760 11.822 40.241 1.00 0.00 ATOM 354 OD1 ASP 43 24.862 11.649 39.665 1.00 0.00 ATOM 355 OD2 ASP 43 23.588 11.654 41.448 1.00 0.00 ATOM 356 O ASP 43 22.107 11.381 36.303 1.00 0.00 ATOM 357 C ASP 43 22.969 11.632 37.146 1.00 0.00 ATOM 358 N LYS 44 24.055 10.883 37.311 1.00 0.00 ATOM 359 CA LYS 44 24.300 9.688 36.477 1.00 0.00 ATOM 360 CB LYS 44 25.583 8.996 36.908 1.00 0.00 ATOM 361 CG LYS 44 25.883 7.772 36.026 1.00 0.00 ATOM 362 CD LYS 44 27.348 7.423 36.024 1.00 0.00 ATOM 363 CE LYS 44 27.633 6.249 35.097 1.00 0.00 ATOM 364 NZ LYS 44 28.963 5.633 35.386 1.00 0.00 ATOM 365 O LYS 44 22.864 8.049 35.516 1.00 0.00 ATOM 366 C LYS 44 23.154 8.717 36.508 1.00 0.00 ATOM 367 N ASP 45 22.488 8.630 37.656 1.00 0.00 ATOM 368 CA ASP 45 21.355 7.725 37.804 1.00 0.00 ATOM 369 CB ASP 45 21.297 7.200 39.280 1.00 0.00 ATOM 370 CG ASP 45 20.732 8.249 40.229 1.00 0.00 ATOM 371 OD1 ASP 45 20.518 9.404 39.807 1.00 0.00 ATOM 372 OD2 ASP 45 20.498 7.913 41.408 1.00 0.00 ATOM 373 O ASP 45 18.993 7.673 37.576 1.00 0.00 ATOM 374 C ASP 45 20.015 8.326 37.378 1.00 0.00 ATOM 375 N GLY 46 20.014 9.585 36.865 1.00 0.00 ATOM 376 CA GLY 46 18.766 10.306 36.624 1.00 0.00 ATOM 377 O GLY 46 17.124 11.661 37.729 1.00 0.00 ATOM 378 C GLY 46 18.219 11.103 37.803 1.00 0.00 ATOM 379 N LYS 47 18.983 11.158 38.890 1.00 0.00 ATOM 380 CA LYS 47 18.559 11.911 40.112 1.00 0.00 ATOM 381 CB LYS 47 19.704 11.767 41.114 1.00 0.00 ATOM 382 CG LYS 47 19.549 12.649 42.337 1.00 0.00 ATOM 383 CD LYS 47 18.654 12.050 43.409 1.00 0.00 ATOM 384 CE LYS 47 18.749 12.911 44.654 1.00 0.00 ATOM 385 NZ LYS 47 20.125 13.047 45.151 1.00 0.00 ATOM 386 O LYS 47 19.243 13.910 38.976 1.00 0.00 ATOM 387 C LYS 47 18.398 13.367 39.689 1.00 0.00 ATOM 388 N GLU 48 17.313 13.997 40.129 1.00 0.00 ATOM 389 CA GLU 48 17.061 15.391 39.788 1.00 0.00 ATOM 390 CB GLU 48 15.653 15.797 40.240 1.00 0.00 ATOM 391 CG GLU 48 14.562 14.820 39.787 1.00 0.00 ATOM 392 CD GLU 48 14.103 13.875 40.902 1.00 0.00 ATOM 393 OE1 GLU 48 14.130 14.300 42.083 1.00 0.00 ATOM 394 OE2 GLU 48 13.655 12.762 40.553 1.00 0.00 ATOM 395 O GLU 48 18.718 15.997 41.429 1.00 0.00 ATOM 396 C GLU 48 18.232 16.232 40.321 1.00 0.00 ATOM 397 N LYS 49 18.678 17.204 39.532 1.00 0.00 ATOM 398 CA LYS 49 19.785 18.062 39.939 1.00 0.00 ATOM 399 CB LYS 49 21.098 17.393 39.512 1.00 0.00 ATOM 400 CG LYS 49 21.377 15.977 39.974 1.00 0.00 ATOM 401 CD LYS 49 21.685 16.094 41.447 1.00 0.00 ATOM 402 CE LYS 49 22.010 14.723 41.985 1.00 0.00 ATOM 403 NZ LYS 49 22.141 14.860 43.418 1.00 0.00 ATOM 404 O LYS 49 18.967 19.704 38.350 1.00 0.00 ATOM 405 C LYS 49 19.736 19.436 39.264 1.00 0.00 ATOM 406 N GLU 50 20.611 20.303 39.765 1.00 0.00 ATOM 407 CA GLU 50 20.899 21.604 39.171 1.00 0.00 ATOM 408 CB GLU 50 20.190 22.726 39.869 1.00 0.00 ATOM 409 CG GLU 50 20.298 24.205 39.597 1.00 0.00 ATOM 410 CD GLU 50 20.953 24.592 40.914 1.00 0.00 ATOM 411 OE1 GLU 50 20.468 24.251 42.023 1.00 0.00 ATOM 412 OE2 GLU 50 22.129 24.966 40.772 1.00 0.00 ATOM 413 O GLU 50 22.890 21.739 40.493 1.00 0.00 ATOM 414 C GLU 50 22.325 21.953 39.422 1.00 0.00 ATOM 415 N LEU 51 22.724 22.600 38.350 1.00 0.00 ATOM 416 CA LEU 51 24.045 23.154 38.239 1.00 0.00 ATOM 417 CB LEU 51 24.745 22.417 37.126 1.00 0.00 ATOM 418 CG LEU 51 25.322 21.160 37.721 1.00 0.00 ATOM 419 CD1 LEU 51 26.121 20.571 36.589 1.00 0.00 ATOM 420 CD2 LEU 51 26.221 21.480 38.927 1.00 0.00 ATOM 421 O LEU 51 23.636 24.955 36.781 1.00 0.00 ATOM 422 C LEU 51 24.116 24.594 37.851 1.00 0.00 ATOM 423 N GLU 52 25.026 25.258 38.538 1.00 0.00 ATOM 424 CA GLU 52 25.393 26.617 38.118 1.00 0.00 ATOM 425 CB GLU 52 26.220 27.235 39.230 1.00 0.00 ATOM 426 CG GLU 52 26.438 28.743 39.047 1.00 0.00 ATOM 427 CD GLU 52 27.283 29.361 40.165 1.00 0.00 ATOM 428 OE1 GLU 52 27.623 28.630 41.120 1.00 0.00 ATOM 429 OE2 GLU 52 27.587 30.576 40.034 1.00 0.00 ATOM 430 O GLU 52 27.022 25.710 36.609 1.00 0.00 ATOM 431 C GLU 52 26.142 26.552 36.792 1.00 0.00 ATOM 432 N PHE 53 25.792 27.441 35.868 1.00 0.00 ATOM 433 CA PHE 53 26.452 27.477 34.537 1.00 0.00 ATOM 434 CB PHE 53 25.859 28.596 33.660 1.00 0.00 ATOM 435 CG PHE 53 26.227 29.997 34.132 1.00 0.00 ATOM 436 CD1 PHE 53 27.364 30.639 33.630 1.00 0.00 ATOM 437 CD2 PHE 53 25.463 30.615 35.107 1.00 0.00 ATOM 438 CE1 PHE 53 27.707 31.907 34.098 1.00 0.00 ATOM 439 CE2 PHE 53 25.807 31.875 35.569 1.00 0.00 ATOM 440 CZ PHE 53 26.927 32.532 35.059 1.00 0.00 ATOM 441 O PHE 53 28.709 27.445 33.694 1.00 0.00 ATOM 442 C PHE 53 27.964 27.755 34.625 1.00 0.00 ATOM 443 N THR 54 28.403 28.333 35.738 1.00 0.00 ATOM 444 CA THR 54 29.816 28.638 35.924 1.00 0.00 ATOM 445 CB THR 54 30.039 29.408 37.243 1.00 0.00 ATOM 446 CG2 THR 54 31.522 29.645 37.546 1.00 0.00 ATOM 447 OG1 THR 54 29.385 30.681 37.149 1.00 0.00 ATOM 448 O THR 54 31.994 27.605 36.148 1.00 0.00 ATOM 449 C THR 54 30.760 27.421 35.964 1.00 0.00 ATOM 450 N ALA 55 30.120 26.116 35.710 1.00 0.00 ATOM 451 CA ALA 55 30.863 24.856 35.830 1.00 0.00 ATOM 452 CB ALA 55 30.379 24.046 37.055 1.00 0.00 ATOM 453 O ALA 55 32.703 24.369 34.762 1.00 0.00 ATOM 454 C ALA 55 31.542 24.114 34.574 1.00 0.00 ATOM 455 N GLN 56 31.161 23.487 33.331 1.00 0.00 ATOM 456 CA GLN 56 32.275 23.035 32.359 1.00 0.00 ATOM 457 CB GLN 56 33.024 21.755 32.762 1.00 0.00 ATOM 458 CG GLN 56 33.728 21.748 34.108 1.00 0.00 ATOM 459 CD GLN 56 34.338 20.409 34.469 1.00 0.00 ATOM 460 OE1 GLN 56 34.434 19.432 33.736 1.00 0.00 ATOM 461 NE2 GLN 56 34.745 20.363 35.710 1.00 0.00 ATOM 462 O GLN 56 31.401 23.920 30.343 1.00 0.00 ATOM 463 C GLN 56 31.815 22.903 30.892 1.00 0.00 ATOM 464 N LYS 57 32.140 21.730 30.020 1.00 0.00 ATOM 465 CA LYS 57 31.941 21.686 28.567 1.00 0.00 ATOM 466 CB LYS 57 32.451 20.330 28.059 1.00 0.00 ATOM 467 CG LYS 57 33.902 20.034 28.351 1.00 0.00 ATOM 468 CD LYS 57 34.255 18.672 27.774 1.00 0.00 ATOM 469 CE LYS 57 35.728 18.452 28.047 1.00 0.00 ATOM 470 NZ LYS 57 36.114 17.147 27.538 1.00 0.00 ATOM 471 O LYS 57 29.625 21.360 28.962 1.00 0.00 ATOM 472 C LYS 57 30.466 21.783 28.190 1.00 0.00 ATOM 473 N ASN 58 30.192 22.248 26.973 1.00 0.00 ATOM 474 CA ASN 58 28.811 22.420 26.488 1.00 0.00 ATOM 475 CB ASN 58 28.405 23.882 26.591 1.00 0.00 ATOM 476 CG ASN 58 28.949 24.601 27.815 1.00 0.00 ATOM 477 ND2 ASN 58 30.150 25.068 27.571 1.00 0.00 ATOM 478 OD1 ASN 58 28.357 24.834 28.855 1.00 0.00 ATOM 479 O ASN 58 29.745 22.220 24.287 1.00 0.00 ATOM 480 C ASN 58 28.811 21.942 25.040 1.00 0.00 ATOM 481 N LEU 59 27.762 21.223 24.652 1.00 0.00 ATOM 482 CA LEU 59 27.653 20.711 23.281 1.00 0.00 ATOM 483 CB LEU 59 28.377 19.357 23.140 1.00 0.00 ATOM 484 CG LEU 59 27.886 18.177 23.965 1.00 0.00 ATOM 485 CD1 LEU 59 26.704 17.483 23.288 1.00 0.00 ATOM 486 CD2 LEU 59 29.005 17.163 24.146 1.00 0.00 ATOM 487 O LEU 59 25.320 20.605 23.740 1.00 0.00 ATOM 488 C LEU 59 26.212 20.570 22.892 1.00 0.00 ATOM 489 N ARG 60 25.968 20.406 21.596 1.00 0.00 ATOM 490 CA ARG 60 24.606 20.254 21.096 1.00 0.00 ATOM 491 CB ARG 60 24.335 21.236 19.958 1.00 0.00 ATOM 492 CG ARG 60 22.872 21.173 19.516 1.00 0.00 ATOM 493 CD ARG 60 22.631 22.221 18.451 1.00 0.00 ATOM 494 NE ARG 60 23.340 21.902 17.200 1.00 0.00 ATOM 495 CZ ARG 60 23.313 22.676 16.113 1.00 0.00 ATOM 496 NH1 ARG 60 23.974 22.333 15.019 1.00 0.00 ATOM 497 NH2 ARG 60 22.732 23.858 16.098 1.00 0.00 ATOM 498 O ARG 60 25.326 18.282 19.936 1.00 0.00 ATOM 499 C ARG 60 24.447 18.812 20.611 1.00 0.00 ATOM 500 N LYS 61 23.261 18.285 20.872 1.00 0.00 ATOM 501 CA LYS 61 22.871 16.965 20.386 1.00 0.00 ATOM 502 CB LYS 61 23.061 15.902 21.471 1.00 0.00 ATOM 503 CG LYS 61 22.625 14.494 21.077 1.00 0.00 ATOM 504 CD LYS 61 22.878 13.537 22.243 1.00 0.00 ATOM 505 CE LYS 61 22.606 12.100 21.803 1.00 0.00 ATOM 506 NZ LYS 61 22.808 11.156 22.905 1.00 0.00 ATOM 507 O LYS 61 20.495 17.053 20.699 1.00 0.00 ATOM 508 C LYS 61 21.438 17.205 19.923 1.00 0.00 ATOM 509 N GLU 62 21.278 17.580 18.657 1.00 0.00 ATOM 510 CA GLU 62 19.965 17.831 18.117 1.00 0.00 ATOM 511 CB GLU 62 18.974 16.794 18.117 1.00 0.00 ATOM 512 CG GLU 62 18.276 16.666 16.772 1.00 0.00 ATOM 513 CD GLU 62 19.092 15.868 15.770 1.00 0.00 ATOM 514 OE1 GLU 62 18.717 14.708 15.486 1.00 0.00 ATOM 515 OE2 GLU 62 20.107 16.399 15.268 1.00 0.00 ATOM 516 O GLU 62 19.951 20.152 18.792 1.00 0.00 ATOM 517 C GLU 62 19.369 19.067 18.836 1.00 0.00 ATOM 518 N ALA 63 18.222 18.891 19.486 1.00 0.00 ATOM 519 CA ALA 63 17.580 19.990 20.197 1.00 0.00 ATOM 520 CB ALA 63 16.100 19.862 20.206 1.00 0.00 ATOM 521 O ALA 63 17.673 20.985 22.373 1.00 0.00 ATOM 522 C ALA 63 18.015 20.049 21.656 1.00 0.00 ATOM 523 N PHE 64 18.876 19.112 22.033 1.00 0.00 ATOM 524 CA PHE 64 19.364 19.017 23.416 1.00 0.00 ATOM 525 CB PHE 64 19.556 17.553 23.786 1.00 0.00 ATOM 526 CG PHE 64 18.246 16.777 23.821 1.00 0.00 ATOM 527 CD1 PHE 64 17.831 16.033 22.729 1.00 0.00 ATOM 528 CD2 PHE 64 17.498 16.811 24.990 1.00 0.00 ATOM 529 CE1 PHE 64 16.653 15.296 22.785 1.00 0.00 ATOM 530 CE2 PHE 64 16.338 16.072 25.024 1.00 0.00 ATOM 531 CZ PHE 64 15.904 15.317 23.955 1.00 0.00 ATOM 532 O PHE 64 21.576 19.743 22.727 1.00 0.00 ATOM 533 C PHE 64 20.682 19.768 23.574 1.00 0.00 ATOM 534 N LEU 65 20.778 20.418 24.724 1.00 0.00 ATOM 535 CA LEU 65 21.990 21.156 25.109 1.00 0.00 ATOM 536 CB LEU 65 21.693 22.616 25.440 1.00 0.00 ATOM 537 CG LEU 65 20.914 23.163 24.244 1.00 0.00 ATOM 538 CD1 LEU 65 20.162 24.400 24.617 1.00 0.00 ATOM 539 CD2 LEU 65 21.745 23.430 22.992 1.00 0.00 ATOM 540 O LEU 65 21.955 20.394 27.383 1.00 0.00 ATOM 541 C LEU 65 22.556 20.429 26.310 1.00 0.00 ATOM 542 N ARG 66 23.674 19.789 26.021 1.00 0.00 ATOM 543 CA ARG 66 24.332 18.918 26.996 1.00 0.00 ATOM 544 CB ARG 66 24.688 17.626 26.280 1.00 0.00 ATOM 545 CG ARG 66 25.216 16.593 27.254 1.00 0.00 ATOM 546 CD ARG 66 26.675 16.295 26.970 1.00 0.00 ATOM 547 NE ARG 66 27.033 15.059 27.665 1.00 0.00 ATOM 548 CZ ARG 66 27.654 14.028 27.092 1.00 0.00 ATOM 549 NH1 ARG 66 27.943 14.081 25.807 1.00 0.00 ATOM 550 NH2 ARG 66 28.024 12.954 27.788 1.00 0.00 ATOM 551 O ARG 66 26.305 20.257 26.808 1.00 0.00 ATOM 552 C ARG 66 25.604 19.551 27.540 1.00 0.00 ATOM 553 N VAL 67 25.953 19.237 28.777 1.00 0.00 ATOM 554 CA VAL 67 27.113 19.864 29.397 1.00 0.00 ATOM 555 CB VAL 67 26.794 21.244 30.001 1.00 0.00 ATOM 556 CG1 VAL 67 26.328 22.314 29.016 1.00 0.00 ATOM 557 CG2 VAL 67 25.636 21.167 30.949 1.00 0.00 ATOM 558 O VAL 67 27.141 17.986 30.942 1.00 0.00 ATOM 559 C VAL 67 27.731 18.955 30.480 1.00 0.00 ATOM 560 N TYR 68 28.943 19.352 30.835 1.00 0.00 ATOM 561 CA TYR 68 29.695 18.790 31.971 1.00 0.00 ATOM 562 CB TYR 68 31.050 18.263 31.506 1.00 0.00 ATOM 563 CG TYR 68 30.874 17.162 30.458 1.00 0.00 ATOM 564 CD1 TYR 68 30.863 17.445 29.097 1.00 0.00 ATOM 565 CD2 TYR 68 30.758 15.855 30.853 1.00 0.00 ATOM 566 CE1 TYR 68 30.770 16.454 28.133 1.00 0.00 ATOM 567 CE2 TYR 68 30.666 14.864 29.890 1.00 0.00 ATOM 568 CZ TYR 68 30.674 15.146 28.536 1.00 0.00 ATOM 569 OH TYR 68 30.580 14.163 27.608 1.00 0.00 ATOM 570 O TYR 68 30.099 21.061 32.549 1.00 0.00 ATOM 571 C TYR 68 29.935 19.913 32.964 1.00 0.00 ATOM 572 N HIS 69 30.015 19.551 34.234 1.00 0.00 ATOM 573 CA HIS 69 30.290 20.518 35.309 1.00 0.00 ATOM 574 CB HIS 69 28.980 21.060 35.863 1.00 0.00 ATOM 575 CG HIS 69 28.272 21.992 34.876 1.00 0.00 ATOM 576 CD2 HIS 69 27.365 21.678 33.959 1.00 0.00 ATOM 577 ND1 HIS 69 28.368 23.310 34.864 1.00 0.00 ATOM 578 CE1 HIS 69 27.505 23.824 34.001 1.00 0.00 ATOM 579 NE2 HIS 69 26.888 22.803 33.433 1.00 0.00 ATOM 580 O HIS 69 31.083 18.676 36.626 1.00 0.00 ATOM 581 C HIS 69 31.080 19.896 36.455 1.00 0.00 ATOM 582 N SER 70 31.748 20.736 37.240 1.00 0.00 ATOM 583 CA SER 70 32.531 20.251 38.362 1.00 0.00 ATOM 584 CB SER 70 33.747 21.140 38.585 1.00 0.00 ATOM 585 OG SER 70 34.452 20.784 39.773 1.00 0.00 ATOM 586 O SER 70 31.196 21.540 39.861 1.00 0.00 ATOM 587 C SER 70 31.739 20.459 39.626 1.00 0.00 ATOM 588 N ASP 71 31.668 19.422 40.453 1.00 0.00 ATOM 589 CA ASP 71 30.931 19.506 41.709 1.00 0.00 ATOM 590 CB ASP 71 29.472 19.943 41.536 1.00 0.00 ATOM 591 CG ASP 71 28.744 20.339 42.820 1.00 0.00 ATOM 592 OD1 ASP 71 29.438 20.766 43.766 1.00 0.00 ATOM 593 OD2 ASP 71 27.539 20.016 42.898 1.00 0.00 ATOM 594 O ASP 71 31.247 17.283 42.465 1.00 0.00 ATOM 595 C ASP 71 31.283 18.486 42.727 1.00 0.00 ATOM 596 N LYS 72 31.633 18.954 43.922 1.00 0.00 ATOM 597 CA LYS 72 31.999 18.053 45.008 1.00 0.00 ATOM 598 CB LYS 72 32.446 18.951 46.150 1.00 0.00 ATOM 599 CG LYS 72 33.755 19.612 45.748 1.00 0.00 ATOM 600 CD LYS 72 34.197 20.476 46.896 1.00 0.00 ATOM 601 CE LYS 72 35.512 21.213 46.816 1.00 0.00 ATOM 602 NZ LYS 72 35.796 22.027 48.010 1.00 0.00 ATOM 603 O LYS 72 31.172 16.034 46.006 1.00 0.00 ATOM 604 C LYS 72 30.895 17.113 45.482 1.00 0.00 ATOM 605 N LYS 73 29.645 17.526 45.296 1.00 0.00 ATOM 606 CA LYS 73 28.495 16.700 45.711 1.00 0.00 ATOM 607 CB LYS 73 27.290 17.602 45.981 1.00 0.00 ATOM 608 CG LYS 73 27.608 18.638 47.046 1.00 0.00 ATOM 609 CD LYS 73 27.817 18.061 48.450 1.00 0.00 ATOM 610 CE LYS 73 28.328 19.150 49.401 1.00 0.00 ATOM 611 NZ LYS 73 27.473 20.348 49.334 1.00 0.00 ATOM 612 O LYS 73 27.106 14.915 44.870 1.00 0.00 ATOM 613 C LYS 73 28.144 15.563 44.728 1.00 0.00 ATOM 614 N GLY 74 29.008 15.332 43.745 1.00 0.00 ATOM 615 CA GLY 74 28.774 14.280 42.764 1.00 0.00 ATOM 616 O GLY 74 28.313 14.018 40.424 1.00 0.00 ATOM 617 C GLY 74 28.473 14.799 41.362 1.00 0.00 ATOM 618 N VAL 75 28.397 16.119 41.222 1.00 0.00 ATOM 619 CA VAL 75 28.126 16.695 39.963 1.00 0.00 ATOM 620 CB VAL 75 27.159 18.002 40.178 1.00 0.00 ATOM 621 CG1 VAL 75 26.510 18.497 38.907 1.00 0.00 ATOM 622 CG2 VAL 75 26.128 17.783 41.255 1.00 0.00 ATOM 623 O VAL 75 30.060 17.713 38.919 1.00 0.00 ATOM 624 C VAL 75 29.486 16.661 39.205 1.00 0.00 ATOM 625 N SER 76 29.975 15.465 38.895 1.00 0.00 ATOM 626 CA SER 76 31.240 15.327 38.184 1.00 0.00 ATOM 627 CB SER 76 32.277 14.995 39.394 1.00 0.00 ATOM 628 OG SER 76 33.567 14.660 38.923 1.00 0.00 ATOM 629 O SER 76 31.876 14.696 35.938 1.00 0.00 ATOM 630 C SER 76 31.017 15.169 36.681 1.00 0.00 ATOM 631 N ALA 77 30.025 16.097 36.385 1.00 0.00 ATOM 632 CA ALA 77 28.643 15.656 36.085 1.00 0.00 ATOM 633 CB ALA 77 27.499 16.139 36.961 1.00 0.00 ATOM 634 O ALA 77 28.821 16.960 34.106 1.00 0.00 ATOM 635 C ALA 77 28.198 16.111 34.739 1.00 0.00 ATOM 636 N TRP 78 27.079 15.508 34.397 1.00 0.00 ATOM 637 CA TRP 78 26.491 15.707 33.102 1.00 0.00 ATOM 638 CB TRP 78 26.708 14.380 32.387 1.00 0.00 ATOM 639 CG TRP 78 25.858 13.248 32.959 1.00 0.00 ATOM 640 CD1 TRP 78 26.265 12.415 33.915 1.00 0.00 ATOM 641 CD2 TRP 78 24.561 12.911 32.621 1.00 0.00 ATOM 642 CE2 TRP 78 24.238 11.815 33.391 1.00 0.00 ATOM 643 CE3 TRP 78 23.613 13.411 31.738 1.00 0.00 ATOM 644 NE1 TRP 78 25.283 11.551 34.164 1.00 0.00 ATOM 645 CZ2 TRP 78 22.981 11.220 33.245 1.00 0.00 ATOM 646 CZ3 TRP 78 22.362 12.816 31.609 1.00 0.00 ATOM 647 CH2 TRP 78 22.041 11.711 32.372 1.00 0.00 ATOM 648 O TRP 78 24.326 15.648 34.155 1.00 0.00 ATOM 649 C TRP 78 25.038 16.115 33.274 1.00 0.00 ATOM 650 N GLU 79 24.624 16.990 32.381 1.00 0.00 ATOM 651 CA GLU 79 23.221 17.440 32.321 1.00 0.00 ATOM 652 CB GLU 79 22.993 18.571 33.328 1.00 0.00 ATOM 653 CG GLU 79 23.884 19.764 33.002 1.00 0.00 ATOM 654 CD GLU 79 23.838 20.959 33.931 1.00 0.00 ATOM 655 OE1 GLU 79 23.349 20.777 35.047 1.00 0.00 ATOM 656 OE2 GLU 79 24.338 22.029 33.542 1.00 0.00 ATOM 657 O GLU 79 23.739 17.973 30.036 1.00 0.00 ATOM 658 C GLU 79 22.866 17.862 30.901 1.00 0.00 ATOM 659 N GLU 80 21.565 18.042 30.709 1.00 0.00 ATOM 660 CA GLU 80 21.020 18.445 29.407 1.00 0.00 ATOM 661 CB GLU 80 20.894 17.257 28.456 1.00 0.00 ATOM 662 CG GLU 80 19.951 16.189 29.016 1.00 0.00 ATOM 663 CD GLU 80 19.722 15.106 27.990 1.00 0.00 ATOM 664 OE1 GLU 80 20.707 14.444 27.584 1.00 0.00 ATOM 665 OE2 GLU 80 18.550 15.070 27.569 1.00 0.00 ATOM 666 O GLU 80 18.856 18.736 30.463 1.00 0.00 ATOM 667 C GLU 80 19.661 19.101 29.606 1.00 0.00 ATOM 668 N VAL 81 19.420 20.041 28.711 1.00 0.00 ATOM 669 CA VAL 81 18.151 20.775 28.681 1.00 0.00 ATOM 670 CB VAL 81 18.291 22.168 29.397 1.00 0.00 ATOM 671 CG1 VAL 81 18.620 21.977 30.871 1.00 0.00 ATOM 672 CG2 VAL 81 19.337 23.047 28.678 1.00 0.00 ATOM 673 O VAL 81 18.467 20.735 26.282 1.00 0.00 ATOM 674 C VAL 81 17.680 20.825 27.233 1.00 0.00 ATOM 675 N LYS 82 16.376 20.985 27.087 1.00 0.00 ATOM 676 CA LYS 82 15.800 21.329 25.781 1.00 0.00 ATOM 677 CB LYS 82 14.292 21.313 25.959 1.00 0.00 ATOM 678 CG LYS 82 13.746 19.922 26.259 1.00 0.00 ATOM 679 CD LYS 82 12.221 19.912 26.123 1.00 0.00 ATOM 680 CE LYS 82 11.672 18.499 26.303 1.00 0.00 ATOM 681 NZ LYS 82 10.207 18.398 26.279 1.00 0.00 ATOM 682 O LYS 82 16.387 23.596 26.303 1.00 0.00 ATOM 683 C LYS 82 16.268 22.737 25.428 1.00 0.00 ATOM 684 N LYS 83 16.530 22.972 24.147 1.00 0.00 ATOM 685 CA LYS 83 16.994 24.318 23.672 1.00 0.00 ATOM 686 CB LYS 83 17.115 24.353 22.150 1.00 0.00 ATOM 687 CG LYS 83 17.522 25.678 21.541 1.00 0.00 ATOM 688 CD LYS 83 17.473 25.547 20.040 1.00 0.00 ATOM 689 CE LYS 83 18.038 26.797 19.414 1.00 0.00 ATOM 690 NZ LYS 83 17.848 26.734 17.973 1.00 0.00 ATOM 691 O LYS 83 16.575 26.560 24.457 1.00 0.00 ATOM 692 C LYS 83 16.092 25.461 24.178 1.00 0.00 ATOM 693 N ASP 84 14.795 25.194 24.292 1.00 0.00 ATOM 694 CA ASP 84 13.854 26.203 24.764 1.00 0.00 ATOM 695 CB ASP 84 12.390 25.764 24.608 1.00 0.00 ATOM 696 CG ASP 84 11.957 25.598 23.131 1.00 0.00 ATOM 697 OD1 ASP 84 12.710 26.073 22.270 1.00 0.00 ATOM 698 OD2 ASP 84 10.825 25.145 22.869 1.00 0.00 ATOM 699 O ASP 84 13.814 27.758 26.585 1.00 0.00 ATOM 700 C ASP 84 14.035 26.606 26.229 1.00 0.00 ATOM 701 N GLU 85 14.481 25.647 27.031 1.00 0.00 ATOM 702 CA GLU 85 14.699 25.867 28.470 1.00 0.00 ATOM 703 CB GLU 85 14.464 24.579 29.243 1.00 0.00 ATOM 704 CG GLU 85 12.996 24.132 29.220 1.00 0.00 ATOM 705 CD GLU 85 12.760 22.800 29.951 1.00 0.00 ATOM 706 OE1 GLU 85 13.719 22.194 30.480 1.00 0.00 ATOM 707 OE2 GLU 85 11.616 22.297 29.838 1.00 0.00 ATOM 708 O GLU 85 16.464 26.585 29.929 1.00 0.00 ATOM 709 C GLU 85 16.111 26.360 28.770 1.00 0.00 ATOM 710 N LEU 86 16.916 26.527 27.726 1.00 0.00 ATOM 711 CA LEU 86 18.254 26.987 27.901 1.00 0.00 ATOM 712 CB LEU 86 19.118 26.691 26.692 1.00 0.00 ATOM 713 CG LEU 86 20.559 26.903 27.138 1.00 0.00 ATOM 714 CD1 LEU 86 20.867 25.780 28.095 1.00 0.00 ATOM 715 CD2 LEU 86 21.527 26.794 25.999 1.00 0.00 ATOM 716 O LEU 86 17.920 29.245 27.198 1.00 0.00 ATOM 717 C LEU 86 18.270 28.492 28.113 1.00 0.00 ATOM 718 N PRO 87 18.930 28.880 29.200 1.00 0.00 ATOM 719 CA PRO 87 19.318 30.280 29.413 1.00 0.00 ATOM 720 CB PRO 87 20.188 30.282 30.670 1.00 0.00 ATOM 721 CG PRO 87 19.877 28.991 31.411 1.00 0.00 ATOM 722 CD PRO 87 19.325 28.007 30.379 1.00 0.00 ATOM 723 O PRO 87 20.987 29.937 27.724 1.00 0.00 ATOM 724 C PRO 87 20.236 30.735 28.284 1.00 0.00 ATOM 725 N ALA 88 20.175 32.021 27.953 1.00 0.00 ATOM 726 CA ALA 88 20.993 32.544 26.916 1.00 0.00 ATOM 727 CB ALA 88 20.634 34.050 26.656 1.00 0.00 ATOM 728 O ALA 88 23.260 32.062 26.288 1.00 0.00 ATOM 729 C ALA 88 22.479 32.335 27.201 1.00 0.00 ATOM 730 N LYS 89 22.865 32.461 28.467 1.00 0.00 ATOM 731 CA LYS 89 24.259 32.282 28.853 1.00 0.00 ATOM 732 CB LYS 89 24.410 32.517 30.367 1.00 0.00 ATOM 733 CG LYS 89 25.842 32.326 30.878 1.00 0.00 ATOM 734 CD LYS 89 26.814 33.277 30.192 1.00 0.00 ATOM 735 CE LYS 89 28.159 33.305 30.909 1.00 0.00 ATOM 736 NZ LYS 89 28.965 34.410 30.392 1.00 0.00 ATOM 737 O LYS 89 25.840 30.693 27.996 1.00 0.00 ATOM 738 C LYS 89 24.735 30.874 28.509 1.00 0.00 ATOM 739 N VAL 90 23.899 29.880 28.791 1.00 0.00 ATOM 740 CA VAL 90 24.249 28.488 28.502 1.00 0.00 ATOM 741 CB VAL 90 23.346 27.415 29.103 1.00 0.00 ATOM 742 CG1 VAL 90 23.985 26.039 28.889 1.00 0.00 ATOM 743 CG2 VAL 90 23.074 27.619 30.583 1.00 0.00 ATOM 744 O VAL 90 25.385 27.688 26.561 1.00 0.00 ATOM 745 C VAL 90 24.398 28.294 26.978 1.00 0.00 ATOM 746 N LYS 91 23.558 28.973 26.197 1.00 0.00 ATOM 747 CA LYS 91 23.636 28.894 24.725 1.00 0.00 ATOM 748 CB LYS 91 22.452 29.572 24.015 1.00 0.00 ATOM 749 CG LYS 91 22.528 29.308 22.509 1.00 0.00 ATOM 750 CD LYS 91 21.267 29.736 21.774 1.00 0.00 ATOM 751 CE LYS 91 21.402 29.452 20.274 1.00 0.00 ATOM 752 NZ LYS 91 21.226 28.035 19.920 1.00 0.00 ATOM 753 O LYS 91 25.644 28.776 23.451 1.00 0.00 ATOM 754 C LYS 91 24.941 29.443 24.211 1.00 0.00 ATOM 755 N GLU 92 25.279 30.593 24.776 1.00 0.00 ATOM 756 CA GLU 92 26.520 31.252 24.383 1.00 0.00 ATOM 757 CB GLU 92 26.543 32.670 24.962 1.00 0.00 ATOM 758 CG GLU 92 27.785 33.462 24.539 1.00 0.00 ATOM 759 CD GLU 92 28.016 33.530 23.026 1.00 0.00 ATOM 760 OE1 GLU 92 27.019 33.549 22.260 1.00 0.00 ATOM 761 OE2 GLU 92 29.188 33.592 22.658 1.00 0.00 ATOM 762 O GLU 92 28.654 30.193 23.961 1.00 0.00 ATOM 763 C GLU 92 27.724 30.346 24.754 1.00 0.00 ATOM 764 N LYS 93 27.692 29.763 25.949 1.00 0.00 ATOM 765 CA LYS 93 28.774 28.891 26.393 1.00 0.00 ATOM 766 CB LYS 93 28.578 28.520 27.872 1.00 0.00 ATOM 767 CG LYS 93 29.693 27.626 28.447 1.00 0.00 ATOM 768 CD LYS 93 31.138 28.080 28.274 1.00 0.00 ATOM 769 CE LYS 93 31.440 29.250 29.190 1.00 0.00 ATOM 770 NZ LYS 93 32.865 29.525 29.101 1.00 0.00 ATOM 771 O LYS 93 30.021 27.265 25.150 1.00 0.00 ATOM 772 C LYS 93 28.909 27.688 25.472 1.00 0.00 ATOM 773 N LEU 94 27.777 27.134 25.047 1.00 0.00 ATOM 774 CA LEU 94 27.788 25.979 24.159 1.00 0.00 ATOM 775 CB LEU 94 26.397 25.588 23.691 1.00 0.00 ATOM 776 CG LEU 94 25.318 25.397 24.729 1.00 0.00 ATOM 777 CD1 LEU 94 24.052 25.499 23.927 1.00 0.00 ATOM 778 CD2 LEU 94 25.341 24.009 25.365 1.00 0.00 ATOM 779 O LEU 94 29.038 25.610 22.101 1.00 0.00 ATOM 780 C LEU 94 28.347 26.391 22.778 1.00 0.00 ATOM 781 N GLY 95 28.039 27.621 22.356 1.00 0.00 ATOM 782 CA GLY 95 28.501 28.123 21.074 1.00 0.00 ATOM 783 O GLY 95 28.603 27.013 18.951 1.00 0.00 ATOM 784 C GLY 95 27.899 27.322 19.927 1.00 0.00 ATOM 785 N VAL 96 26.607 26.942 20.036 1.00 0.00 ATOM 786 CA VAL 96 25.955 26.174 18.973 1.00 0.00 ATOM 787 CB VAL 96 25.753 24.699 19.328 1.00 0.00 ATOM 788 CG1 VAL 96 27.090 23.963 19.481 1.00 0.00 ATOM 789 CG2 VAL 96 24.923 24.509 20.602 1.00 0.00 ATOM 790 O VAL 96 23.969 27.424 19.557 1.00 0.00 ATOM 791 C VAL 96 24.615 26.854 18.681 1.00 0.00 ATOM 792 N LYS 97 24.146 26.560 17.476 1.00 0.00 ATOM 793 CA LYS 97 22.880 27.094 16.984 1.00 0.00 ATOM 794 CB LYS 97 22.837 26.880 15.493 1.00 0.00 ATOM 795 CG LYS 97 23.748 27.815 14.699 1.00 0.00 ATOM 796 CD LYS 97 23.328 27.815 13.234 1.00 0.00 ATOM 797 CE LYS 97 24.439 28.366 12.357 1.00 0.00 ATOM 798 NZ LYS 97 24.096 28.317 10.935 1.00 0.00 ATOM 799 O LYS 97 21.860 25.567 18.551 1.00 0.00 ATOM 800 C LYS 97 21.687 26.414 17.651 1.00 0.00 TER END