PFRMAT TS TARGET T0468 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 1xyiA with E-value 19.3), 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_TS5 model turned out to be the one I liked METHOD best and used most heavily in creating my models. METHOD METHOD Since T0467 and T0468 are quite similar sequences, I tried to find METHOD similar folds for both targets. I also tried using one of my favorite METHOD T0467 models as a template, but I did not get anything very useful that way. METHOD METHOD METHOD Model METHOD 1 T0468.try2-opt3.gromacs0.repack-nonPC.pdb # < MQAU1-opt3 < BAKER-ROBETTA_TS5 METHOD # best rosetta energy METHOD METHOD 2 T0468.try9-opt3.pdb # < chimera-try2-N34-Y35-try6 METHOD chimera-try2-N34-Y35-try6: METHOD M1-N34 T0468.try2-opt3.gromacs0.repack-nonPC.pdb METHOD Y35-K109 from T0468.try6-opt3.pdb METHOD try6-opt3 < try5-opt3.gromacs0 < align(1iv7A?) METHOD METHOD 3 T0468.try10-opt3.gromacs0.repack-nonPC.pdb # < chimera-try2-F51-R52-try6 METHOD chimera-try2-F51-R52-try6: METHOD M1-F51 T0468.try2-opt3.gromacs0.repack-nonPC.pdb METHOD R52-K109 from T0468.try6-opt3.pdb METHOD METHOD 4 T0468.try3-opt3.pdb # < align(1tupA+1yliA+1bqk+2uurA+1vpmA) METHOD METHOD 5 T0468.try4-opt3.pdb # < align(1vpmA?) METHOD REMARK 6 REMARK 6 T0468 model 1 Thu Jul 24 13:25:58 2008 MODEL 1 PARENT 1iv7_A 1mol_A 1z02_A 2o62_A 1k1x_A REMARK 7 REMARK 7 ALLPARENTS 1iv7_A 1mol_A 1z02_A 2o62_A 1k1x_A 1nfi_E 1nb5_I REMARK 7 ALLPARENTS 1fy7_A 1a87_A 1xyi_A 2bw2_A 1bb8 1c8c_A 3bdu_A REMARK 7 ALLPARENTS 2ra2_A 1azp_A 2z1c_A ATOM 1 N MET 1 14.971 34.507 39.670 1.00 0.00 ATOM 2 CA MET 1 14.287 35.024 38.502 1.00 0.00 ATOM 3 CB MET 1 14.788 36.429 38.176 1.00 0.00 ATOM 4 CG MET 1 14.026 37.127 37.058 1.00 0.00 ATOM 5 SD MET 1 14.604 38.810 36.768 1.00 0.00 ATOM 6 CE MET 1 16.174 38.498 35.969 1.00 0.00 ATOM 7 O MET 1 15.629 33.721 36.991 1.00 0.00 ATOM 8 C MET 1 14.498 34.076 37.319 1.00 0.00 ATOM 9 N GLU 2 13.365 33.665 36.797 1.00 0.00 ATOM 10 CA GLU 2 13.190 32.731 35.669 1.00 0.00 ATOM 11 CB GLU 2 11.703 32.483 35.406 1.00 0.00 ATOM 12 CG GLU 2 11.004 31.653 36.473 1.00 0.00 ATOM 13 CD GLU 2 9.529 31.548 36.207 1.00 0.00 ATOM 14 OE1 GLU 2 9.069 32.159 35.272 1.00 0.00 ATOM 15 OE2 GLU 2 8.879 30.771 36.865 1.00 0.00 ATOM 16 O GLU 2 14.494 32.547 33.646 1.00 0.00 ATOM 17 C GLU 2 13.879 33.284 34.410 1.00 0.00 ATOM 18 N ARG 3 13.801 34.600 34.209 1.00 0.00 ATOM 19 CA ARG 3 14.508 35.286 33.125 1.00 0.00 ATOM 20 CB ARG 3 14.025 36.717 32.941 1.00 0.00 ATOM 21 CG ARG 3 14.656 37.459 31.773 1.00 0.00 ATOM 22 CD ARG 3 14.153 38.845 31.584 1.00 0.00 ATOM 23 NE ARG 3 14.783 39.572 30.495 1.00 0.00 ATOM 24 CZ ARG 3 14.478 40.835 30.140 1.00 0.00 ATOM 25 NH1 ARG 3 13.531 41.503 30.760 1.00 0.00 ATOM 26 NH2 ARG 3 15.143 41.379 29.135 1.00 0.00 ATOM 27 O ARG 3 16.523 35.675 34.383 1.00 0.00 ATOM 28 C ARG 3 16.023 35.211 33.356 1.00 0.00 ATOM 29 N ALA 4 16.724 34.933 32.275 1.00 0.00 ATOM 30 CA ALA 4 18.190 34.914 32.255 1.00 0.00 ATOM 31 CB ALA 4 18.550 34.189 30.979 1.00 0.00 ATOM 32 O ALA 4 18.534 37.121 31.340 1.00 0.00 ATOM 33 C ALA 4 18.799 36.318 32.238 1.00 0.00 ATOM 34 N SER 5 19.584 36.598 33.265 1.00 0.00 ATOM 35 CA SER 5 20.279 37.890 33.361 1.00 0.00 ATOM 36 CB SER 5 20.482 38.266 34.816 1.00 0.00 ATOM 37 OG SER 5 21.238 39.438 34.956 1.00 0.00 ATOM 38 O SER 5 22.457 36.972 32.907 1.00 0.00 ATOM 39 C SER 5 21.618 37.823 32.620 1.00 0.00 ATOM 40 N LEU 6 21.695 38.609 31.549 1.00 0.00 ATOM 41 CA LEU 6 22.907 38.695 30.727 1.00 0.00 ATOM 42 CB LEU 6 22.481 39.323 29.389 1.00 0.00 ATOM 43 CG LEU 6 23.557 39.245 28.315 1.00 0.00 ATOM 44 CD1 LEU 6 23.731 37.790 27.935 1.00 0.00 ATOM 45 CD2 LEU 6 23.135 40.025 27.072 1.00 0.00 ATOM 46 O LEU 6 23.706 40.662 31.874 1.00 0.00 ATOM 47 C LEU 6 23.974 39.538 31.452 1.00 0.00 ATOM 48 N ASN 7 25.141 38.944 31.640 1.00 0.00 ATOM 49 CA ASN 7 26.276 39.589 32.330 1.00 0.00 ATOM 50 CB ASN 7 26.422 39.081 33.753 1.00 0.00 ATOM 51 CG ASN 7 25.256 39.423 34.640 1.00 0.00 ATOM 52 ND2 ASN 7 24.509 38.412 35.004 1.00 0.00 ATOM 53 OD1 ASN 7 25.079 40.576 35.049 1.00 0.00 ATOM 54 O ASN 7 27.724 38.473 30.787 1.00 0.00 ATOM 55 C ASN 7 27.596 39.398 31.578 1.00 0.00 ATOM 56 N ARG 8 28.512 40.340 31.754 1.00 0.00 ATOM 57 CA ARG 8 29.759 40.364 30.977 1.00 0.00 ATOM 58 CB ARG 8 30.367 41.780 30.952 1.00 0.00 ATOM 59 CG ARG 8 31.543 41.829 29.978 1.00 0.00 ATOM 60 CD ARG 8 32.176 43.196 29.816 1.00 0.00 ATOM 61 NE ARG 8 31.226 44.152 29.218 1.00 0.00 ATOM 62 CZ ARG 8 31.417 45.454 29.245 1.00 0.00 ATOM 63 NH1 ARG 8 32.438 45.962 29.883 1.00 0.00 ATOM 64 NH2 ARG 8 30.552 46.247 28.672 1.00 0.00 ATOM 65 O ARG 8 30.931 39.217 32.747 1.00 0.00 ATOM 66 C ARG 8 30.764 39.351 31.541 1.00 0.00 ATOM 67 N ILE 9 31.434 38.719 30.605 1.00 0.00 ATOM 68 CA ILE 9 32.537 37.801 30.909 1.00 0.00 ATOM 69 CB ILE 9 31.990 36.370 31.121 1.00 0.00 ATOM 70 CG1 ILE 9 33.091 35.494 31.715 1.00 0.00 ATOM 71 CG2 ILE 9 31.434 35.770 29.824 1.00 0.00 ATOM 72 CD1 ILE 9 32.578 34.194 32.297 1.00 0.00 ATOM 73 O ILE 9 33.289 38.333 28.687 1.00 0.00 ATOM 74 C ILE 9 33.589 37.897 29.798 1.00 0.00 ATOM 75 N GLY 10 34.820 37.576 30.176 1.00 0.00 ATOM 76 CA GLY 10 35.951 37.622 29.238 1.00 0.00 ATOM 77 O GLY 10 35.907 40.017 29.218 1.00 0.00 ATOM 78 C GLY 10 36.057 38.986 28.555 1.00 0.00 ATOM 79 N LYS 11 36.176 38.951 27.240 1.00 0.00 ATOM 80 CA LYS 11 36.341 40.177 26.439 1.00 0.00 ATOM 81 CB LYS 11 37.043 39.864 25.117 1.00 0.00 ATOM 82 CG LYS 11 37.296 41.079 24.236 1.00 0.00 ATOM 83 CD LYS 11 38.034 40.696 22.962 1.00 0.00 ATOM 84 CE LYS 11 38.287 41.909 22.080 1.00 0.00 ATOM 85 NZ LYS 11 38.998 41.546 20.824 1.00 0.00 ATOM 86 O LYS 11 34.743 41.983 26.640 1.00 0.00 ATOM 87 C LYS 11 35.015 40.890 26.143 1.00 0.00 ATOM 88 N ASP 12 34.216 40.208 25.347 1.00 0.00 ATOM 89 CA ASP 12 32.937 40.768 24.880 1.00 0.00 ATOM 90 CB ASP 12 33.101 41.398 23.495 1.00 0.00 ATOM 91 CG ASP 12 33.520 40.420 22.404 1.00 0.00 ATOM 92 OD1 ASP 12 33.663 39.257 22.700 1.00 0.00 ATOM 93 OD2 ASP 12 33.539 40.809 21.261 1.00 0.00 ATOM 94 O ASP 12 30.732 39.967 24.292 1.00 0.00 ATOM 95 C ASP 12 31.808 39.719 24.829 1.00 0.00 ATOM 96 N VAL 13 31.991 38.679 25.631 1.00 0.00 ATOM 97 CA VAL 13 30.987 37.609 25.752 1.00 0.00 ATOM 98 CB VAL 13 31.690 36.259 25.908 1.00 0.00 ATOM 99 CG1 VAL 13 30.656 35.134 25.936 1.00 0.00 ATOM 100 CG2 VAL 13 32.638 35.962 24.757 1.00 0.00 ATOM 101 O VAL 13 30.486 38.081 28.083 1.00 0.00 ATOM 102 C VAL 13 30.057 37.893 26.944 1.00 0.00 ATOM 103 N TYR 14 28.780 37.631 26.715 1.00 0.00 ATOM 104 CA TYR 14 27.797 37.768 27.787 1.00 0.00 ATOM 105 CB TYR 14 26.796 38.832 27.374 1.00 0.00 ATOM 106 CG TYR 14 27.345 40.251 27.323 1.00 0.00 ATOM 107 CD1 TYR 14 27.902 40.738 26.152 1.00 0.00 ATOM 108 CD2 TYR 14 27.305 41.077 28.433 1.00 0.00 ATOM 109 CE1 TYR 14 28.422 42.006 26.044 1.00 0.00 ATOM 110 CE2 TYR 14 27.834 42.356 28.328 1.00 0.00 ATOM 111 CZ TYR 14 28.395 42.825 27.144 1.00 0.00 ATOM 112 OH TYR 14 29.002 44.043 27.139 1.00 0.00 ATOM 113 O TYR 14 27.155 35.576 27.140 1.00 0.00 ATOM 114 C TYR 14 27.140 36.414 28.041 1.00 0.00 ATOM 115 N TYR 15 26.849 36.157 29.315 1.00 0.00 ATOM 116 CA TYR 15 26.188 34.917 29.779 1.00 0.00 ATOM 117 CB TYR 15 27.042 34.128 30.759 1.00 0.00 ATOM 118 CG TYR 15 27.298 34.868 32.068 1.00 0.00 ATOM 119 CD1 TYR 15 26.479 34.611 33.157 1.00 0.00 ATOM 120 CD2 TYR 15 28.402 35.696 32.194 1.00 0.00 ATOM 121 CE1 TYR 15 26.783 35.186 34.384 1.00 0.00 ATOM 122 CE2 TYR 15 28.710 36.251 33.419 1.00 0.00 ATOM 123 CZ TYR 15 27.902 35.987 34.508 1.00 0.00 ATOM 124 OH TYR 15 28.217 36.603 35.671 1.00 0.00 ATOM 125 O TYR 15 24.626 36.295 30.985 1.00 0.00 ATOM 126 C TYR 15 24.833 35.208 30.431 1.00 0.00 ATOM 127 N MET 16 24.011 34.175 30.525 1.00 0.00 ATOM 128 CA MET 16 22.689 34.292 31.143 1.00 0.00 ATOM 129 CB MET 16 21.677 33.752 30.146 1.00 0.00 ATOM 130 CG MET 16 21.450 34.674 28.954 1.00 0.00 ATOM 131 SD MET 16 20.075 34.099 27.884 1.00 0.00 ATOM 132 CE MET 16 20.824 32.729 27.045 1.00 0.00 ATOM 133 O MET 16 22.817 32.295 32.494 1.00 0.00 ATOM 134 C MET 16 22.613 33.504 32.458 1.00 0.00 ATOM 135 N GLN 17 22.340 34.231 33.529 1.00 0.00 ATOM 136 CA GLN 17 22.191 33.621 34.864 1.00 0.00 ATOM 137 CB GLN 17 22.933 34.450 35.917 1.00 0.00 ATOM 138 CG GLN 17 22.820 33.904 37.330 1.00 0.00 ATOM 139 CD GLN 17 23.629 34.711 38.328 1.00 0.00 ATOM 140 OE1 GLN 17 24.860 34.629 38.362 1.00 0.00 ATOM 141 NE2 GLN 17 22.940 35.495 39.150 1.00 0.00 ATOM 142 O GLN 17 19.976 34.525 35.220 1.00 0.00 ATOM 143 C GLN 17 20.706 33.523 35.189 1.00 0.00 ATOM 144 N ILE 18 20.301 32.282 35.404 1.00 0.00 ATOM 145 CA ILE 18 18.886 31.892 35.558 1.00 0.00 ATOM 146 CB ILE 18 18.428 30.912 34.466 1.00 0.00 ATOM 147 CG1 ILE 18 18.660 31.579 33.118 1.00 0.00 ATOM 148 CG2 ILE 18 16.964 30.489 34.641 1.00 0.00 ATOM 149 CD1 ILE 18 18.429 30.653 31.935 1.00 0.00 ATOM 150 O ILE 18 19.381 30.228 37.211 1.00 0.00 ATOM 151 C ILE 18 18.715 31.215 36.911 1.00 0.00 ATOM 152 N LYS 19 17.861 31.821 37.723 1.00 0.00 ATOM 153 CA LYS 19 17.564 31.259 39.040 1.00 0.00 ATOM 154 CB LYS 19 18.018 32.214 40.145 1.00 0.00 ATOM 155 CG LYS 19 17.824 31.680 41.558 1.00 0.00 ATOM 156 CD LYS 19 18.301 32.681 42.598 1.00 0.00 ATOM 157 CE LYS 19 18.097 32.152 44.010 1.00 0.00 ATOM 158 NZ LYS 19 18.692 33.054 45.034 1.00 0.00 ATOM 159 O LYS 19 15.249 31.853 38.972 1.00 0.00 ATOM 160 C LYS 19 16.064 30.958 39.179 1.00 0.00 ATOM 161 N GLY 20 15.780 29.809 39.777 1.00 0.00 ATOM 162 CA GLY 20 14.402 29.397 40.064 1.00 0.00 ATOM 163 O GLY 20 15.303 28.001 41.798 1.00 0.00 ATOM 164 C GLY 20 14.291 28.474 41.272 1.00 0.00 ATOM 165 N GLU 21 13.044 28.259 41.643 1.00 0.00 ATOM 166 CA GLU 21 12.728 27.475 42.833 1.00 0.00 ATOM 167 CB GLU 21 12.507 28.393 44.037 1.00 0.00 ATOM 168 CG GLU 21 12.175 27.665 45.331 1.00 0.00 ATOM 169 CD GLU 21 12.052 28.624 46.482 1.00 0.00 ATOM 170 OE1 GLU 21 12.263 29.795 46.279 1.00 0.00 ATOM 171 OE2 GLU 21 11.639 28.205 47.538 1.00 0.00 ATOM 172 O GLU 21 10.492 27.025 42.032 1.00 0.00 ATOM 173 C GLU 21 11.491 26.594 42.614 1.00 0.00 ATOM 174 N GLY 22 11.601 25.392 43.151 1.00 0.00 ATOM 175 CA GLY 22 10.506 24.427 43.126 1.00 0.00 ATOM 176 O GLY 22 12.107 22.670 43.329 1.00 0.00 ATOM 177 C GLY 22 10.958 23.038 43.536 1.00 0.00 ATOM 178 N THR 23 9.979 22.256 43.989 1.00 0.00 ATOM 179 CA THR 23 10.248 20.864 44.400 1.00 0.00 ATOM 180 CB THR 23 9.798 20.636 45.845 1.00 0.00 ATOM 181 CG2 THR 23 10.704 21.431 46.780 1.00 0.00 ATOM 182 OG1 THR 23 8.430 20.987 46.038 1.00 0.00 ATOM 183 O THR 23 9.170 18.763 43.937 1.00 0.00 ATOM 184 C THR 23 9.591 19.833 43.494 1.00 0.00 ATOM 185 N ILE 24 9.541 20.172 42.220 1.00 0.00 ATOM 186 CA ILE 24 8.957 19.283 41.200 1.00 0.00 ATOM 187 CB ILE 24 8.859 19.985 39.835 1.00 0.00 ATOM 188 CG1 ILE 24 10.244 20.362 39.289 1.00 0.00 ATOM 189 CG2 ILE 24 7.950 21.210 39.944 1.00 0.00 ATOM 190 CD1 ILE 24 10.225 20.881 37.863 1.00 0.00 ATOM 191 O ILE 24 10.982 17.980 41.414 1.00 0.00 ATOM 192 C ILE 24 9.782 17.987 41.123 1.00 0.00 ATOM 193 N GLU 25 9.157 16.934 40.643 1.00 0.00 ATOM 194 CA GLU 25 9.813 15.608 40.483 1.00 0.00 ATOM 195 CB GLU 25 8.778 14.536 40.137 1.00 0.00 ATOM 196 CG GLU 25 8.158 14.684 38.754 1.00 0.00 ATOM 197 CD GLU 25 7.028 15.676 38.766 1.00 0.00 ATOM 198 OE1 GLU 25 6.830 16.312 39.774 1.00 0.00 ATOM 199 OE2 GLU 25 6.434 15.881 37.734 1.00 0.00 ATOM 200 O GLU 25 11.683 14.631 39.309 1.00 0.00 ATOM 201 C GLU 25 10.919 15.596 39.412 1.00 0.00 ATOM 202 N LYS 26 10.916 16.621 38.584 1.00 0.00 ATOM 203 CA LYS 26 11.822 16.768 37.436 1.00 0.00 ATOM 204 CB LYS 26 11.212 17.701 36.389 1.00 0.00 ATOM 205 CG LYS 26 9.954 17.162 35.723 1.00 0.00 ATOM 206 CD LYS 26 9.401 18.147 34.704 1.00 0.00 ATOM 207 CE LYS 26 8.148 17.606 34.032 1.00 0.00 ATOM 208 NZ LYS 26 7.579 18.572 33.055 1.00 0.00 ATOM 209 O LYS 26 14.138 17.433 37.069 1.00 0.00 ATOM 210 C LYS 26 13.212 17.299 37.871 1.00 0.00 ATOM 211 N VAL 27 13.311 17.730 39.127 1.00 0.00 ATOM 212 CA VAL 27 14.561 18.269 39.690 1.00 0.00 ATOM 213 CB VAL 27 14.412 19.759 40.069 1.00 0.00 ATOM 214 CG1 VAL 27 14.102 20.601 38.826 1.00 0.00 ATOM 215 CG2 VAL 27 13.366 20.016 41.153 1.00 0.00 ATOM 216 O VAL 27 14.250 16.760 41.541 1.00 0.00 ATOM 217 C VAL 27 15.051 17.426 40.880 1.00 0.00 ATOM 218 N ASP 28 16.309 17.636 41.241 1.00 0.00 ATOM 219 CA ASP 28 16.902 16.891 42.375 1.00 0.00 ATOM 220 CB ASP 28 18.221 16.238 41.956 1.00 0.00 ATOM 221 CG ASP 28 18.084 15.195 40.854 1.00 0.00 ATOM 222 OD1 ASP 28 17.256 14.325 40.987 1.00 0.00 ATOM 223 OD2 ASP 28 18.694 15.364 39.826 1.00 0.00 ATOM 224 O ASP 28 17.951 17.480 44.482 1.00 0.00 ATOM 225 C ASP 28 17.143 17.782 43.604 1.00 0.00 ATOM 226 N GLY 29 16.364 18.861 43.683 1.00 0.00 ATOM 227 CA GLY 29 16.474 19.838 44.781 1.00 0.00 ATOM 228 O GLY 29 14.300 20.641 44.129 1.00 0.00 ATOM 229 C GLY 29 15.288 20.806 44.832 1.00 0.00 ATOM 230 N ARG 30 15.488 21.853 45.614 1.00 0.00 ATOM 231 CA ARG 30 14.492 22.930 45.712 1.00 0.00 ATOM 232 CB ARG 30 14.111 23.217 47.162 1.00 0.00 ATOM 233 CG ARG 30 13.129 24.389 47.266 1.00 0.00 ATOM 234 CD ARG 30 12.640 24.534 48.704 1.00 0.00 ATOM 235 NE ARG 30 11.968 25.813 48.886 1.00 0.00 ATOM 236 CZ ARG 30 11.449 26.228 50.037 1.00 0.00 ATOM 237 NH1 ARG 30 11.471 25.557 51.155 1.00 0.00 ATOM 238 NH2 ARG 30 10.878 27.393 50.140 1.00 0.00 ATOM 239 O ARG 30 14.130 24.877 44.340 1.00 0.00 ATOM 240 C ARG 30 14.933 24.217 44.989 1.00 0.00 ATOM 241 N ASN 31 16.203 24.556 45.168 1.00 0.00 ATOM 242 CA ASN 31 16.734 25.773 44.545 1.00 0.00 ATOM 243 CB ASN 31 17.504 26.606 45.544 1.00 0.00 ATOM 244 CG ASN 31 16.610 27.091 46.668 1.00 0.00 ATOM 245 ND2 ASN 31 17.005 26.715 47.839 1.00 0.00 ATOM 246 OD1 ASN 31 15.687 27.882 46.556 1.00 0.00 ATOM 247 O ASN 31 18.623 24.685 43.528 1.00 0.00 ATOM 248 C ASN 31 17.644 25.421 43.371 1.00 0.00 ATOM 249 N LEU 32 17.291 26.004 42.237 1.00 0.00 ATOM 250 CA LEU 32 18.030 25.756 40.981 1.00 0.00 ATOM 251 CB LEU 32 17.142 25.036 39.967 1.00 0.00 ATOM 252 CG LEU 32 16.905 23.565 40.286 1.00 0.00 ATOM 253 CD1 LEU 32 15.685 23.346 41.177 1.00 0.00 ATOM 254 CD2 LEU 32 16.806 22.805 38.969 1.00 0.00 ATOM 255 O LEU 32 17.870 28.078 40.358 1.00 0.00 ATOM 256 C LEU 32 18.548 27.051 40.368 1.00 0.00 ATOM 257 N ARG 33 19.804 27.011 39.928 1.00 0.00 ATOM 258 CA ARG 33 20.392 28.149 39.207 1.00 0.00 ATOM 259 CB ARG 33 21.069 29.135 40.169 1.00 0.00 ATOM 260 CG ARG 33 21.585 30.417 39.504 1.00 0.00 ATOM 261 CD ARG 33 22.140 31.436 40.510 1.00 0.00 ATOM 262 NE ARG 33 23.336 30.988 41.251 1.00 0.00 ATOM 263 CZ ARG 33 23.897 31.649 42.263 1.00 0.00 ATOM 264 NH1 ARG 33 23.369 32.771 42.730 1.00 0.00 ATOM 265 NH2 ARG 33 25.001 31.207 42.834 1.00 0.00 ATOM 266 O ARG 33 22.253 26.823 38.476 1.00 0.00 ATOM 267 C ARG 33 21.398 27.651 38.183 1.00 0.00 ATOM 268 N ASN 34 21.232 28.193 37.000 1.00 0.00 ATOM 269 CA ASN 34 22.071 27.814 35.855 1.00 0.00 ATOM 270 CB ASN 34 21.304 26.957 34.865 1.00 0.00 ATOM 271 CG ASN 34 20.273 27.717 34.078 1.00 0.00 ATOM 272 ND2 ASN 34 19.026 27.446 34.370 1.00 0.00 ATOM 273 OD1 ASN 34 20.601 28.591 33.268 1.00 0.00 ATOM 274 O ASN 34 22.225 30.164 35.370 1.00 0.00 ATOM 275 C ASN 34 22.655 29.033 35.136 1.00 0.00 ATOM 276 N TYR 35 23.706 28.742 34.382 1.00 0.00 ATOM 277 CA TYR 35 24.432 29.723 33.569 1.00 0.00 ATOM 278 CB TYR 35 25.880 29.820 34.034 1.00 0.00 ATOM 279 CG TYR 35 25.969 30.481 35.395 1.00 0.00 ATOM 280 CD1 TYR 35 25.889 31.852 35.457 1.00 0.00 ATOM 281 CD2 TYR 35 26.224 29.735 36.536 1.00 0.00 ATOM 282 CE1 TYR 35 26.060 32.497 36.672 1.00 0.00 ATOM 283 CE2 TYR 35 26.408 30.373 37.741 1.00 0.00 ATOM 284 CZ TYR 35 26.324 31.763 37.815 1.00 0.00 ATOM 285 OH TYR 35 26.510 32.392 39.009 1.00 0.00 ATOM 286 O TYR 35 25.026 28.144 31.879 1.00 0.00 ATOM 287 C TYR 35 24.500 29.224 32.136 1.00 0.00 ATOM 288 N THR 36 24.065 30.080 31.219 1.00 0.00 ATOM 289 CA THR 36 24.239 29.806 29.780 1.00 0.00 ATOM 290 CB THR 36 22.936 29.845 28.965 1.00 0.00 ATOM 291 CG2 THR 36 23.193 29.604 27.469 1.00 0.00 ATOM 292 OG1 THR 36 22.088 28.759 29.333 1.00 0.00 ATOM 293 O THR 36 25.085 31.983 29.307 1.00 0.00 ATOM 294 C THR 36 25.272 30.776 29.230 1.00 0.00 ATOM 295 N LEU 37 26.363 30.218 28.754 1.00 0.00 ATOM 296 CA LEU 37 27.451 31.011 28.152 1.00 0.00 ATOM 297 CB LEU 37 28.778 30.715 28.863 1.00 0.00 ATOM 298 CG LEU 37 29.997 31.465 28.309 1.00 0.00 ATOM 299 CD1 LEU 37 29.805 32.966 28.473 1.00 0.00 ATOM 300 CD2 LEU 37 31.252 30.999 29.031 1.00 0.00 ATOM 301 O LEU 37 28.033 29.663 26.252 1.00 0.00 ATOM 302 C LEU 37 27.574 30.726 26.646 1.00 0.00 ATOM 303 N PRO 38 27.089 31.644 25.814 1.00 0.00 ATOM 304 CA PRO 38 27.203 31.556 24.358 1.00 0.00 ATOM 305 CB PRO 38 26.115 32.486 23.834 1.00 0.00 ATOM 306 CG PRO 38 25.958 33.550 24.918 1.00 0.00 ATOM 307 CD PRO 38 26.427 32.885 26.204 1.00 0.00 ATOM 308 O PRO 38 29.157 32.951 24.544 1.00 0.00 ATOM 309 C PRO 38 28.585 32.036 23.949 1.00 0.00 ATOM 310 N ALA 39 29.073 31.430 22.877 1.00 0.00 ATOM 311 CA ALA 39 30.351 31.828 22.263 1.00 0.00 ATOM 312 CB ALA 39 31.536 31.363 23.112 1.00 0.00 ATOM 313 O ALA 39 29.916 30.164 20.579 1.00 0.00 ATOM 314 C ALA 39 30.451 31.239 20.850 1.00 0.00 ATOM 315 N TYR 40 30.905 32.092 19.939 1.00 0.00 ATOM 316 CA TYR 40 31.078 31.668 18.539 1.00 0.00 ATOM 317 CB TYR 40 31.193 32.900 17.632 1.00 0.00 ATOM 318 CG TYR 40 31.505 32.539 16.184 1.00 0.00 ATOM 319 CD1 TYR 40 30.502 32.071 15.351 1.00 0.00 ATOM 320 CD2 TYR 40 32.786 32.657 15.669 1.00 0.00 ATOM 321 CE1 TYR 40 30.753 31.733 14.032 1.00 0.00 ATOM 322 CE2 TYR 40 33.035 32.328 14.352 1.00 0.00 ATOM 323 CZ TYR 40 32.030 31.870 13.520 1.00 0.00 ATOM 324 OH TYR 40 32.272 31.654 12.199 1.00 0.00 ATOM 325 O TYR 40 33.319 30.963 19.019 1.00 0.00 ATOM 326 C TYR 40 32.280 30.725 18.411 1.00 0.00 ATOM 327 N ASP 41 32.090 29.666 17.649 1.00 0.00 ATOM 328 CA ASP 41 33.193 28.731 17.400 1.00 0.00 ATOM 329 CB ASP 41 32.802 27.370 17.985 1.00 0.00 ATOM 330 CG ASP 41 34.028 26.575 18.452 1.00 0.00 ATOM 331 OD1 ASP 41 35.167 26.871 18.021 1.00 0.00 ATOM 332 OD2 ASP 41 33.773 25.602 19.160 1.00 0.00 ATOM 333 O ASP 41 32.969 29.426 15.096 1.00 0.00 ATOM 334 C ASP 41 33.497 28.654 15.893 1.00 0.00 ATOM 335 N GLU 42 34.326 27.687 15.511 1.00 0.00 ATOM 336 CA GLU 42 34.696 27.432 14.116 1.00 0.00 ATOM 337 CB GLU 42 35.891 26.479 14.044 1.00 0.00 ATOM 338 CG GLU 42 37.162 27.017 14.685 1.00 0.00 ATOM 339 CD GLU 42 38.274 26.007 14.623 1.00 0.00 ATOM 340 OE1 GLU 42 38.040 24.922 14.145 1.00 0.00 ATOM 341 OE2 GLU 42 39.385 26.355 14.949 1.00 0.00 ATOM 342 O GLU 42 32.389 26.689 13.944 1.00 0.00 ATOM 343 C GLU 42 33.472 26.859 13.387 1.00 0.00 ATOM 344 N ASP 43 33.690 26.571 12.103 1.00 0.00 ATOM 345 CA ASP 43 32.697 25.959 11.208 1.00 0.00 ATOM 346 CB ASP 43 32.192 24.637 11.790 1.00 0.00 ATOM 347 CG ASP 43 33.269 23.574 11.963 1.00 0.00 ATOM 348 OD1 ASP 43 34.016 23.358 11.039 1.00 0.00 ATOM 349 OD2 ASP 43 33.436 23.100 13.061 1.00 0.00 ATOM 350 O ASP 43 30.456 26.484 10.476 1.00 0.00 ATOM 351 C ASP 43 31.512 26.908 10.952 1.00 0.00 ATOM 352 N GLY 44 31.722 28.197 11.253 1.00 0.00 ATOM 353 CA GLY 44 30.705 29.249 11.061 1.00 0.00 ATOM 354 O GLY 44 28.331 29.287 11.460 1.00 0.00 ATOM 355 C GLY 44 29.441 29.027 11.907 1.00 0.00 ATOM 356 N VAL 45 29.616 28.436 13.084 1.00 0.00 ATOM 357 CA VAL 45 28.504 28.160 14.008 1.00 0.00 ATOM 358 CB VAL 45 28.114 26.661 14.032 1.00 0.00 ATOM 359 CG1 VAL 45 27.629 26.175 12.668 1.00 0.00 ATOM 360 CG2 VAL 45 29.258 25.774 14.538 1.00 0.00 ATOM 361 O VAL 45 30.017 28.872 15.753 1.00 0.00 ATOM 362 C VAL 45 28.857 28.668 15.413 1.00 0.00 ATOM 363 N LYS 46 27.835 28.789 16.245 1.00 0.00 ATOM 364 CA LYS 46 28.059 29.150 17.655 1.00 0.00 ATOM 365 CB LYS 46 27.289 30.372 18.123 1.00 0.00 ATOM 366 CG LYS 46 27.575 31.623 17.298 1.00 0.00 ATOM 367 CD LYS 46 26.704 32.787 17.757 1.00 0.00 ATOM 368 CE LYS 46 27.139 34.018 16.984 1.00 0.00 ATOM 369 NZ LYS 46 26.455 35.237 17.430 1.00 0.00 ATOM 370 O LYS 46 27.091 26.995 18.181 1.00 0.00 ATOM 371 C LYS 46 27.705 27.984 18.588 1.00 0.00 ATOM 372 N LYS 47 28.246 28.061 19.793 1.00 0.00 ATOM 373 CA LYS 47 28.029 27.040 20.823 1.00 0.00 ATOM 374 CB LYS 47 29.249 26.142 20.989 1.00 0.00 ATOM 375 CG LYS 47 29.492 25.288 19.753 1.00 0.00 ATOM 376 CD LYS 47 30.738 24.451 19.951 1.00 0.00 ATOM 377 CE LYS 47 31.022 23.704 18.664 1.00 0.00 ATOM 378 NZ LYS 47 32.374 23.179 18.748 1.00 0.00 ATOM 379 O LYS 47 28.209 28.772 22.502 1.00 0.00 ATOM 380 C LYS 47 27.701 27.699 22.174 1.00 0.00 ATOM 381 N GLN 48 26.810 27.039 22.898 1.00 0.00 ATOM 382 CA GLN 48 26.390 27.530 24.223 1.00 0.00 ATOM 383 CB GLN 48 24.919 27.898 24.235 1.00 0.00 ATOM 384 CG GLN 48 24.588 29.000 23.234 1.00 0.00 ATOM 385 CD GLN 48 23.131 29.397 23.343 1.00 0.00 ATOM 386 OE1 GLN 48 22.315 28.917 24.123 1.00 0.00 ATOM 387 NE2 GLN 48 22.780 30.383 22.566 1.00 0.00 ATOM 388 O GLN 48 26.183 25.332 25.174 1.00 0.00 ATOM 389 C GLN 48 26.624 26.473 25.293 1.00 0.00 ATOM 390 N ILE 49 27.347 26.883 26.323 1.00 0.00 ATOM 391 CA ILE 49 27.619 26.026 27.479 1.00 0.00 ATOM 392 CB ILE 49 29.029 26.289 28.026 1.00 0.00 ATOM 393 CG1 ILE 49 30.067 25.948 26.948 1.00 0.00 ATOM 394 CG2 ILE 49 29.232 25.541 29.344 1.00 0.00 ATOM 395 CD1 ILE 49 31.521 26.264 27.315 1.00 0.00 ATOM 396 O ILE 49 26.644 27.483 29.112 1.00 0.00 ATOM 397 C ILE 49 26.579 26.390 28.540 1.00 0.00 ATOM 398 N THR 50 25.759 25.406 28.875 1.00 0.00 ATOM 399 CA THR 50 24.757 25.603 29.934 1.00 0.00 ATOM 400 CB THR 50 23.341 25.246 29.446 1.00 0.00 ATOM 401 CG2 THR 50 22.328 25.430 30.566 1.00 0.00 ATOM 402 OG1 THR 50 22.986 26.090 28.343 1.00 0.00 ATOM 403 O THR 50 25.414 23.525 31.000 1.00 0.00 ATOM 404 C THR 50 25.171 24.726 31.121 1.00 0.00 ATOM 405 N PHE 51 25.371 25.376 32.259 1.00 0.00 ATOM 406 CA PHE 51 25.665 24.684 33.513 1.00 0.00 ATOM 407 CB PHE 51 26.989 25.192 34.100 1.00 0.00 ATOM 408 CG PHE 51 27.182 24.772 35.559 1.00 0.00 ATOM 409 CD1 PHE 51 27.337 23.441 35.897 1.00 0.00 ATOM 410 CD2 PHE 51 27.122 25.742 36.557 1.00 0.00 ATOM 411 CE1 PHE 51 27.438 23.063 37.221 1.00 0.00 ATOM 412 CE2 PHE 51 27.233 25.366 37.882 1.00 0.00 ATOM 413 CZ PHE 51 27.390 24.026 38.219 1.00 0.00 ATOM 414 O PHE 51 24.206 26.095 34.755 1.00 0.00 ATOM 415 C PHE 51 24.530 24.939 34.497 1.00 0.00 ATOM 416 N ARG 52 24.039 23.877 35.087 1.00 0.00 ATOM 417 CA ARG 52 22.974 23.997 36.097 1.00 0.00 ATOM 418 CB ARG 52 21.668 23.368 35.633 1.00 0.00 ATOM 419 CG ARG 52 20.501 23.535 36.592 1.00 0.00 ATOM 420 CD ARG 52 19.222 22.954 36.108 1.00 0.00 ATOM 421 NE ARG 52 19.193 21.501 36.079 1.00 0.00 ATOM 422 CZ ARG 52 18.184 20.766 35.572 1.00 0.00 ATOM 423 NH1 ARG 52 17.105 21.339 35.087 1.00 0.00 ATOM 424 NH2 ARG 52 18.297 19.450 35.598 1.00 0.00 ATOM 425 O ARG 52 23.883 22.286 37.519 1.00 0.00 ATOM 426 C ARG 52 23.431 23.425 37.437 1.00 0.00 ATOM 427 N SER 53 23.133 24.205 38.464 1.00 0.00 ATOM 428 CA SER 53 23.391 23.816 39.853 1.00 0.00 ATOM 429 CB SER 53 24.351 24.796 40.499 1.00 0.00 ATOM 430 OG SER 53 24.580 24.495 41.849 1.00 0.00 ATOM 431 O SER 53 21.343 24.715 40.763 1.00 0.00 ATOM 432 C SER 53 22.091 23.740 40.636 1.00 0.00 ATOM 433 N THR 54 21.868 22.557 41.194 1.00 0.00 ATOM 434 CA THR 54 20.644 22.271 41.963 1.00 0.00 ATOM 435 CB THR 54 19.861 21.105 41.349 1.00 0.00 ATOM 436 CG2 THR 54 18.569 20.808 42.110 1.00 0.00 ATOM 437 OG1 THR 54 19.524 21.394 39.987 1.00 0.00 ATOM 438 O THR 54 21.748 21.002 43.707 1.00 0.00 ATOM 439 C THR 54 21.007 21.944 43.413 1.00 0.00 ATOM 440 N LYS 55 20.385 22.683 44.309 1.00 0.00 ATOM 441 CA LYS 55 20.580 22.449 45.756 1.00 0.00 ATOM 442 CB LYS 55 21.033 23.734 46.451 1.00 0.00 ATOM 443 CG LYS 55 21.311 23.580 47.940 1.00 0.00 ATOM 444 CD LYS 55 21.413 24.933 48.627 1.00 0.00 ATOM 445 CE LYS 55 21.647 24.780 50.123 1.00 0.00 ATOM 446 NZ LYS 55 21.802 26.095 50.800 1.00 0.00 ATOM 447 O LYS 55 18.205 22.498 46.148 1.00 0.00 ATOM 448 C LYS 55 19.274 21.926 46.349 1.00 0.00 ATOM 449 N LYS 56 19.401 20.868 47.133 1.00 0.00 ATOM 450 CA LYS 56 18.252 20.222 47.783 1.00 0.00 ATOM 451 CB LYS 56 18.371 18.699 47.694 1.00 0.00 ATOM 452 CG LYS 56 17.190 17.940 48.283 1.00 0.00 ATOM 453 CD LYS 56 17.393 16.436 48.181 1.00 0.00 ATOM 454 CE LYS 56 16.221 15.676 48.785 1.00 0.00 ATOM 455 NZ LYS 56 16.395 14.203 48.672 1.00 0.00 ATOM 456 O LYS 56 19.165 20.655 49.954 1.00 0.00 ATOM 457 C LYS 56 18.178 20.688 49.230 1.00 0.00 ATOM 458 N GLU 57 16.992 21.148 49.621 1.00 0.00 ATOM 459 CA GLU 57 16.780 21.652 50.979 1.00 0.00 ATOM 460 CB GLU 57 15.430 22.364 51.082 1.00 0.00 ATOM 461 CG GLU 57 15.123 22.936 52.458 1.00 0.00 ATOM 462 CD GLU 57 16.059 24.060 52.805 1.00 0.00 ATOM 463 OE1 GLU 57 16.769 24.505 51.935 1.00 0.00 ATOM 464 OE2 GLU 57 15.987 24.548 53.907 1.00 0.00 ATOM 465 O GLU 57 17.614 20.587 52.972 1.00 0.00 ATOM 466 C GLU 57 16.855 20.529 52.013 1.00 0.00 ATOM 467 N ASN 58 16.139 19.455 51.724 1.00 0.00 ATOM 468 CA ASN 58 16.110 18.345 52.678 1.00 0.00 ATOM 469 CB ASN 58 15.175 17.241 52.217 1.00 0.00 ATOM 470 CG ASN 58 13.719 17.590 52.342 1.00 0.00 ATOM 471 ND2 ASN 58 12.895 16.825 51.670 1.00 0.00 ATOM 472 OD1 ASN 58 13.337 18.494 53.094 1.00 0.00 ATOM 473 O ASN 58 17.860 17.496 54.084 1.00 0.00 ATOM 474 C ASN 58 17.480 17.756 52.948 1.00 0.00 ATOM 475 N ASP 59 18.263 17.716 51.881 1.00 0.00 ATOM 476 CA ASP 59 19.592 17.181 52.083 1.00 0.00 ATOM 477 CB ASP 59 19.770 15.878 51.299 1.00 0.00 ATOM 478 CG ASP 59 18.892 14.730 51.780 1.00 0.00 ATOM 479 OD1 ASP 59 18.938 14.422 52.947 1.00 0.00 ATOM 480 OD2 ASP 59 18.073 14.276 51.017 1.00 0.00 ATOM 481 O ASP 59 21.695 18.007 51.078 1.00 0.00 ATOM 482 C ASP 59 20.637 18.228 51.657 1.00 0.00 ATOM 483 N HIS 60 20.392 19.420 52.214 1.00 0.00 ATOM 484 CA HIS 60 21.270 20.596 52.056 1.00 0.00 ATOM 485 CB HIS 60 20.614 21.792 52.715 1.00 0.00 ATOM 486 CG HIS 60 20.488 21.765 54.244 1.00 0.00 ATOM 487 CD2 HIS 60 21.221 22.400 55.147 1.00 0.00 ATOM 488 ND1 HIS 60 19.586 21.041 54.896 1.00 0.00 ATOM 489 CE1 HIS 60 19.758 21.243 56.195 1.00 0.00 ATOM 490 NE2 HIS 60 20.787 22.063 56.363 1.00 0.00 ATOM 491 O HIS 60 23.632 20.988 52.169 1.00 0.00 ATOM 492 C HIS 60 22.671 20.390 52.642 1.00 0.00 ATOM 493 N LYS 61 22.696 19.529 53.650 1.00 0.00 ATOM 494 CA LYS 61 23.935 19.081 54.294 1.00 0.00 ATOM 495 CB LYS 61 23.621 18.244 55.535 1.00 0.00 ATOM 496 CG LYS 61 23.011 19.032 56.686 1.00 0.00 ATOM 497 CD LYS 61 22.702 18.130 57.873 1.00 0.00 ATOM 498 CE LYS 61 22.120 18.921 59.035 1.00 0.00 ATOM 499 NZ LYS 61 21.792 18.048 60.194 1.00 0.00 ATOM 500 O LYS 61 26.017 18.129 53.592 1.00 0.00 ATOM 501 C LYS 61 24.828 18.274 53.353 1.00 0.00 ATOM 502 N LEU 62 24.244 17.717 52.304 1.00 0.00 ATOM 503 CA LEU 62 24.980 16.920 51.308 1.00 0.00 ATOM 504 CB LEU 62 24.143 15.709 50.876 1.00 0.00 ATOM 505 CG LEU 62 23.706 14.778 52.014 1.00 0.00 ATOM 506 CD1 LEU 62 22.838 13.653 51.465 1.00 0.00 ATOM 507 CD2 LEU 62 24.936 14.217 52.713 1.00 0.00 ATOM 508 O LEU 62 24.954 18.927 49.939 1.00 0.00 ATOM 509 C LEU 62 25.360 17.771 50.085 1.00 0.00 ATOM 510 N ASN 63 26.223 17.189 49.257 1.00 0.00 ATOM 511 CA ASN 63 26.704 17.864 48.037 1.00 0.00 ATOM 512 CB ASN 63 27.713 17.009 47.292 1.00 0.00 ATOM 513 CG ASN 63 29.038 16.887 47.991 1.00 0.00 ATOM 514 ND2 ASN 63 29.802 15.906 47.586 1.00 0.00 ATOM 515 OD1 ASN 63 29.395 17.716 48.836 1.00 0.00 ATOM 516 O ASN 63 24.512 17.600 47.137 1.00 0.00 ATOM 517 C ASN 63 25.553 18.231 47.125 1.00 0.00 ATOM 518 N LYS 64 25.761 19.321 46.399 1.00 0.00 ATOM 519 CA LYS 64 24.749 19.801 45.447 1.00 0.00 ATOM 520 CB LYS 64 24.992 21.272 45.104 1.00 0.00 ATOM 521 CG LYS 64 24.767 22.234 46.264 1.00 0.00 ATOM 522 CD LYS 64 25.027 23.673 45.846 1.00 0.00 ATOM 523 CE LYS 64 24.794 24.636 47.002 1.00 0.00 ATOM 524 NZ LYS 64 25.049 26.048 46.609 1.00 0.00 ATOM 525 O LYS 64 25.747 18.266 43.896 1.00 0.00 ATOM 526 C LYS 64 24.764 18.942 44.177 1.00 0.00 ATOM 527 N TYR 65 23.696 19.070 43.399 1.00 0.00 ATOM 528 CA TYR 65 23.602 18.389 42.105 1.00 0.00 ATOM 529 CB TYR 65 22.165 17.931 41.844 1.00 0.00 ATOM 530 CG TYR 65 21.710 16.801 42.740 1.00 0.00 ATOM 531 CD1 TYR 65 21.305 17.046 44.045 1.00 0.00 ATOM 532 CD2 TYR 65 21.683 15.494 42.279 1.00 0.00 ATOM 533 CE1 TYR 65 20.888 16.018 44.869 1.00 0.00 ATOM 534 CE2 TYR 65 21.267 14.459 43.094 1.00 0.00 ATOM 535 CZ TYR 65 20.870 14.725 44.388 1.00 0.00 ATOM 536 OH TYR 65 20.454 13.697 45.204 1.00 0.00 ATOM 537 O TYR 65 23.735 20.507 40.961 1.00 0.00 ATOM 538 C TYR 65 24.087 19.325 40.997 1.00 0.00 ATOM 539 N ALA 66 24.947 18.789 40.135 1.00 0.00 ATOM 540 CA ALA 66 25.460 19.569 39.005 1.00 0.00 ATOM 541 CB ALA 66 26.934 19.903 39.194 1.00 0.00 ATOM 542 O ALA 66 25.561 17.719 37.448 1.00 0.00 ATOM 543 C ALA 66 25.252 18.886 37.649 1.00 0.00 ATOM 544 N PHE 67 24.680 19.682 36.769 1.00 0.00 ATOM 545 CA PHE 67 24.347 19.276 35.392 1.00 0.00 ATOM 546 CB PHE 67 22.845 19.394 35.169 1.00 0.00 ATOM 547 CG PHE 67 22.107 18.384 36.027 1.00 0.00 ATOM 548 CD1 PHE 67 21.825 17.156 35.484 1.00 0.00 ATOM 549 CD2 PHE 67 21.719 18.701 37.319 1.00 0.00 ATOM 550 CE1 PHE 67 21.141 16.213 36.226 1.00 0.00 ATOM 551 CE2 PHE 67 21.055 17.749 38.081 1.00 0.00 ATOM 552 CZ PHE 67 20.756 16.508 37.534 1.00 0.00 ATOM 553 O PHE 67 25.168 21.396 34.704 1.00 0.00 ATOM 554 C PHE 67 25.010 20.219 34.404 1.00 0.00 ATOM 555 N LEU 68 25.120 19.752 33.163 1.00 0.00 ATOM 556 CA LEU 68 25.656 20.601 32.087 1.00 0.00 ATOM 557 CB LEU 68 27.168 20.731 32.238 1.00 0.00 ATOM 558 CG LEU 68 27.777 21.587 31.140 1.00 0.00 ATOM 559 CD1 LEU 68 28.795 22.470 31.805 1.00 0.00 ATOM 560 CD2 LEU 68 28.401 20.756 30.016 1.00 0.00 ATOM 561 O LEU 68 25.178 18.851 30.529 1.00 0.00 ATOM 562 C LEU 68 25.330 20.033 30.706 1.00 0.00 ATOM 563 N ARG 69 25.141 20.919 29.747 1.00 0.00 ATOM 564 CA ARG 69 24.876 20.549 28.351 1.00 0.00 ATOM 565 CB ARG 69 23.391 20.349 28.083 1.00 0.00 ATOM 566 CG ARG 69 22.779 19.131 28.757 1.00 0.00 ATOM 567 CD ARG 69 21.345 18.911 28.436 1.00 0.00 ATOM 568 NE ARG 69 20.448 19.931 28.957 1.00 0.00 ATOM 569 CZ ARG 69 19.902 19.912 30.188 1.00 0.00 ATOM 570 NH1 ARG 69 20.126 18.913 31.014 1.00 0.00 ATOM 571 NH2 ARG 69 19.113 20.914 30.537 1.00 0.00 ATOM 572 O ARG 69 25.438 22.793 27.687 1.00 0.00 ATOM 573 C ARG 69 25.504 21.588 27.436 1.00 0.00 ATOM 574 N LEU 70 26.193 21.057 26.456 1.00 0.00 ATOM 575 CA LEU 70 26.834 21.907 25.442 1.00 0.00 ATOM 576 CB LEU 70 28.285 21.461 25.216 1.00 0.00 ATOM 577 CG LEU 70 28.983 22.097 24.008 1.00 0.00 ATOM 578 CD1 LEU 70 29.134 23.597 24.223 1.00 0.00 ATOM 579 CD2 LEU 70 30.340 21.442 23.802 1.00 0.00 ATOM 580 O LEU 70 25.792 20.684 23.705 1.00 0.00 ATOM 581 C LEU 70 25.987 21.801 24.192 1.00 0.00 ATOM 582 N TYR 71 25.497 22.953 23.742 1.00 0.00 ATOM 583 CA TYR 71 24.596 23.052 22.569 1.00 0.00 ATOM 584 CB TYR 71 23.361 23.873 22.878 1.00 0.00 ATOM 585 CG TYR 71 22.471 23.247 23.953 1.00 0.00 ATOM 586 CD1 TYR 71 22.668 23.583 25.286 1.00 0.00 ATOM 587 CD2 TYR 71 21.441 22.378 23.615 1.00 0.00 ATOM 588 CE1 TYR 71 21.846 23.053 26.271 1.00 0.00 ATOM 589 CE2 TYR 71 20.620 21.839 24.598 1.00 0.00 ATOM 590 CZ TYR 71 20.815 22.184 25.932 1.00 0.00 ATOM 591 OH TYR 71 20.052 21.615 26.907 1.00 0.00 ATOM 592 O TYR 71 26.028 24.694 21.532 1.00 0.00 ATOM 593 C TYR 71 25.300 23.711 21.379 1.00 0.00 ATOM 594 N VAL 72 25.105 23.118 20.210 1.00 0.00 ATOM 595 CA VAL 72 25.691 23.610 18.962 1.00 0.00 ATOM 596 CB VAL 72 26.410 22.531 18.134 1.00 0.00 ATOM 597 CG1 VAL 72 26.957 23.115 16.835 1.00 0.00 ATOM 598 CG2 VAL 72 27.638 22.004 18.887 1.00 0.00 ATOM 599 O VAL 72 23.641 23.467 17.739 1.00 0.00 ATOM 600 C VAL 72 24.530 24.196 18.164 1.00 0.00 ATOM 601 N ASP 73 24.715 25.469 17.871 1.00 0.00 ATOM 602 CA ASP 73 23.708 26.246 17.148 1.00 0.00 ATOM 603 CB ASP 73 23.147 27.358 18.039 1.00 0.00 ATOM 604 CG ASP 73 22.041 28.182 17.395 1.00 0.00 ATOM 605 OD1 ASP 73 21.785 27.990 16.230 1.00 0.00 ATOM 606 OD2 ASP 73 21.357 28.880 18.106 1.00 0.00 ATOM 607 O ASP 73 25.288 27.573 15.915 1.00 0.00 ATOM 608 C ASP 73 24.302 26.837 15.865 1.00 0.00 ATOM 609 N GLN 74 23.784 26.374 14.736 1.00 0.00 ATOM 610 CA GLN 74 24.227 26.909 13.439 1.00 0.00 ATOM 611 CB GLN 74 23.500 26.137 12.342 1.00 0.00 ATOM 612 CG GLN 74 24.000 26.510 10.955 1.00 0.00 ATOM 613 CD GLN 74 23.370 25.629 9.881 1.00 0.00 ATOM 614 OE1 GLN 74 22.479 24.816 10.074 1.00 0.00 ATOM 615 NE2 GLN 74 23.808 25.874 8.672 1.00 0.00 ATOM 616 O GLN 74 22.928 28.958 13.453 1.00 0.00 ATOM 617 C GLN 74 24.030 28.436 13.330 1.00 0.00 ATOM 618 N ASP 75 25.111 29.140 12.987 1.00 0.00 ATOM 619 CA ASP 75 25.051 30.605 12.771 1.00 0.00 ATOM 620 CB ASP 75 26.438 31.237 12.610 1.00 0.00 ATOM 621 CG ASP 75 26.382 32.767 12.597 1.00 0.00 ATOM 622 OD1 ASP 75 25.975 33.330 13.640 1.00 0.00 ATOM 623 OD2 ASP 75 26.823 33.345 11.582 1.00 0.00 ATOM 624 O ASP 75 23.361 31.893 11.612 1.00 0.00 ATOM 625 C ASP 75 24.193 30.975 11.553 1.00 0.00 ATOM 626 N ASP 76 24.276 30.137 10.516 1.00 0.00 ATOM 627 CA ASP 76 23.462 30.299 9.301 1.00 0.00 ATOM 628 CB ASP 76 24.091 29.541 8.129 1.00 0.00 ATOM 629 CG ASP 76 25.366 30.171 7.584 1.00 0.00 ATOM 630 OD1 ASP 76 25.635 31.301 7.915 1.00 0.00 ATOM 631 OD2 ASP 76 26.136 29.471 6.972 1.00 0.00 ATOM 632 O ASP 76 21.171 30.015 8.561 1.00 0.00 ATOM 633 C ASP 76 22.019 29.843 9.443 1.00 0.00 ATOM 634 N ASN 77 21.798 29.074 10.502 1.00 0.00 ATOM 635 CA ASN 77 20.461 28.585 10.811 1.00 0.00 ATOM 636 CB ASN 77 20.180 27.265 10.117 1.00 0.00 ATOM 637 CG ASN 77 18.793 26.737 10.362 1.00 0.00 ATOM 638 ND2 ASN 77 18.631 25.456 10.149 1.00 0.00 ATOM 639 OD1 ASN 77 17.899 27.465 10.808 1.00 0.00 ATOM 640 O ASN 77 20.635 27.429 12.897 1.00 0.00 ATOM 641 C ASN 77 20.390 28.488 12.324 1.00 0.00 ATOM 642 N SER 78 19.933 29.588 12.897 1.00 0.00 ATOM 643 CA SER 78 19.796 29.681 14.361 1.00 0.00 ATOM 644 CB SER 78 19.313 31.064 14.754 1.00 0.00 ATOM 645 OG SER 78 18.014 31.318 14.293 1.00 0.00 ATOM 646 O SER 78 18.897 28.199 16.066 1.00 0.00 ATOM 647 C SER 78 18.841 28.612 14.914 1.00 0.00 ATOM 648 N LYS 79 17.902 28.199 14.065 1.00 0.00 ATOM 649 CA LYS 79 16.955 27.121 14.394 1.00 0.00 ATOM 650 CB LYS 79 15.876 27.009 13.315 1.00 0.00 ATOM 651 CG LYS 79 14.895 28.172 13.283 1.00 0.00 ATOM 652 CD LYS 79 13.862 27.994 12.180 1.00 0.00 ATOM 653 CE LYS 79 12.878 29.154 12.150 1.00 0.00 ATOM 654 NZ LYS 79 11.878 29.007 11.058 1.00 0.00 ATOM 655 O LYS 79 17.071 24.869 15.196 1.00 0.00 ATOM 656 C LYS 79 17.636 25.765 14.567 1.00 0.00 ATOM 657 N ASN 80 18.762 25.580 13.888 1.00 0.00 ATOM 658 CA ASN 80 19.466 24.318 14.079 1.00 0.00 ATOM 659 CB ASN 80 20.204 23.898 12.820 1.00 0.00 ATOM 660 CG ASN 80 20.844 22.542 12.917 1.00 0.00 ATOM 661 ND2 ASN 80 21.834 22.324 12.090 1.00 0.00 ATOM 662 OD1 ASN 80 20.495 21.728 13.781 1.00 0.00 ATOM 663 O ASN 80 21.684 24.236 15.070 1.00 0.00 ATOM 664 C ASN 80 20.460 24.289 15.231 1.00 0.00 ATOM 665 N GLU 81 19.811 24.139 16.373 1.00 0.00 ATOM 666 CA GLU 81 20.496 23.965 17.655 1.00 0.00 ATOM 667 CB GLU 81 19.979 24.976 18.681 1.00 0.00 ATOM 668 CG GLU 81 20.666 24.904 20.037 1.00 0.00 ATOM 669 CD GLU 81 20.120 25.937 20.982 1.00 0.00 ATOM 670 OE1 GLU 81 19.236 26.661 20.593 1.00 0.00 ATOM 671 OE2 GLU 81 20.505 25.928 22.127 1.00 0.00 ATOM 672 O GLU 81 19.191 22.078 18.402 1.00 0.00 ATOM 673 C GLU 81 20.292 22.539 18.136 1.00 0.00 ATOM 674 N ILE 82 21.412 21.843 18.262 1.00 0.00 ATOM 675 CA ILE 82 21.385 20.459 18.747 1.00 0.00 ATOM 676 CB ILE 82 21.734 19.461 17.628 1.00 0.00 ATOM 677 CG1 ILE 82 20.719 19.561 16.487 1.00 0.00 ATOM 678 CG2 ILE 82 21.786 18.043 18.176 1.00 0.00 ATOM 679 CD1 ILE 82 21.107 18.778 15.253 1.00 0.00 ATOM 680 O ILE 82 23.476 20.797 19.872 1.00 0.00 ATOM 681 C ILE 82 22.360 20.282 19.915 1.00 0.00 ATOM 682 N SER 83 21.897 19.622 20.976 1.00 0.00 ATOM 683 CA SER 83 22.765 19.256 22.105 1.00 0.00 ATOM 684 CB SER 83 21.972 18.619 23.239 1.00 0.00 ATOM 685 OG SER 83 22.874 18.288 24.304 1.00 0.00 ATOM 686 O SER 83 23.375 17.138 21.156 1.00 0.00 ATOM 687 C SER 83 23.765 18.202 21.614 1.00 0.00 ATOM 688 N SER 84 25.028 18.443 21.899 1.00 0.00 ATOM 689 CA SER 84 26.083 17.478 21.509 1.00 0.00 ATOM 690 CB SER 84 27.223 18.201 20.820 1.00 0.00 ATOM 691 OG SER 84 27.818 19.159 21.651 1.00 0.00 ATOM 692 O SER 84 27.032 15.546 22.576 1.00 0.00 ATOM 693 C SER 84 26.614 16.693 22.702 1.00 0.00 ATOM 694 N ILE 85 26.655 17.363 23.857 1.00 0.00 ATOM 695 CA ILE 85 27.161 16.763 25.096 1.00 0.00 ATOM 696 CB ILE 85 28.506 17.381 25.516 1.00 0.00 ATOM 697 CG1 ILE 85 29.563 17.147 24.433 1.00 0.00 ATOM 698 CG2 ILE 85 28.966 16.804 26.846 1.00 0.00 ATOM 699 CD1 ILE 85 30.925 17.704 24.778 1.00 0.00 ATOM 700 O ILE 85 25.726 18.109 26.472 1.00 0.00 ATOM 701 C ILE 85 26.102 16.965 26.191 1.00 0.00 ATOM 702 N GLU 86 25.804 15.883 26.888 1.00 0.00 ATOM 703 CA GLU 86 24.887 15.928 28.044 1.00 0.00 ATOM 704 CB GLU 86 23.673 15.028 27.801 1.00 0.00 ATOM 705 CG GLU 86 22.668 15.005 28.943 1.00 0.00 ATOM 706 CD GLU 86 21.491 14.128 28.616 1.00 0.00 ATOM 707 OE1 GLU 86 21.496 13.522 27.572 1.00 0.00 ATOM 708 OE2 GLU 86 20.637 13.977 29.459 1.00 0.00 ATOM 709 O GLU 86 26.416 14.546 29.305 1.00 0.00 ATOM 710 C GLU 86 25.647 15.505 29.295 1.00 0.00 ATOM 711 N VAL 87 25.431 16.264 30.357 1.00 0.00 ATOM 712 CA VAL 87 26.120 16.059 31.645 1.00 0.00 ATOM 713 CB VAL 87 27.088 17.216 31.958 1.00 0.00 ATOM 714 CG1 VAL 87 27.765 16.994 33.303 1.00 0.00 ATOM 715 CG2 VAL 87 28.127 17.354 30.856 1.00 0.00 ATOM 716 O VAL 87 24.277 16.850 33.017 1.00 0.00 ATOM 717 C VAL 87 25.046 15.932 32.728 1.00 0.00 ATOM 718 N LYS 88 25.058 14.739 33.297 1.00 0.00 ATOM 719 CA LYS 88 24.024 14.326 34.269 1.00 0.00 ATOM 720 CB LYS 88 23.557 12.905 33.992 1.00 0.00 ATOM 721 CG LYS 88 22.934 12.776 32.609 1.00 0.00 ATOM 722 CD LYS 88 22.489 11.337 32.423 1.00 0.00 ATOM 723 CE LYS 88 21.834 11.198 31.066 1.00 0.00 ATOM 724 NZ LYS 88 21.514 9.801 30.807 1.00 0.00 ATOM 725 O LYS 88 23.679 14.432 36.640 1.00 0.00 ATOM 726 C LYS 88 24.489 14.427 35.724 1.00 0.00 ATOM 727 N SER 89 25.796 14.463 35.921 1.00 0.00 ATOM 728 CA SER 89 26.393 14.543 37.253 1.00 0.00 ATOM 729 CB SER 89 26.628 13.149 37.804 1.00 0.00 ATOM 730 OG SER 89 27.616 12.460 37.088 1.00 0.00 ATOM 731 O SER 89 28.223 15.682 36.148 1.00 0.00 ATOM 732 C SER 89 27.706 15.340 37.213 1.00 0.00 ATOM 733 N TYR 90 28.277 15.508 38.394 1.00 0.00 ATOM 734 CA TYR 90 29.561 16.198 38.649 1.00 0.00 ATOM 735 CB TYR 90 29.857 16.240 40.150 1.00 0.00 ATOM 736 CG TYR 90 30.284 14.910 40.728 1.00 0.00 ATOM 737 CD1 TYR 90 31.624 14.561 40.798 1.00 0.00 ATOM 738 CD2 TYR 90 29.345 14.007 41.204 1.00 0.00 ATOM 739 CE1 TYR 90 32.020 13.346 41.326 1.00 0.00 ATOM 740 CE2 TYR 90 29.728 12.790 41.734 1.00 0.00 ATOM 741 CZ TYR 90 31.068 12.464 41.793 1.00 0.00 ATOM 742 OH TYR 90 31.456 11.253 42.321 1.00 0.00 ATOM 743 O TYR 90 31.621 16.192 37.369 1.00 0.00 ATOM 744 C TYR 90 30.733 15.527 37.909 1.00 0.00 ATOM 745 N GLU 91 30.635 14.209 37.818 1.00 0.00 ATOM 746 CA GLU 91 31.701 13.360 37.264 1.00 0.00 ATOM 747 CB GLU 91 31.489 11.900 37.670 1.00 0.00 ATOM 748 CG GLU 91 32.593 10.955 37.219 1.00 0.00 ATOM 749 CD GLU 91 32.385 9.570 37.766 1.00 0.00 ATOM 750 OE1 GLU 91 31.329 9.023 37.559 1.00 0.00 ATOM 751 OE2 GLU 91 33.320 9.015 38.294 1.00 0.00 ATOM 752 O GLU 91 32.833 13.179 35.142 1.00 0.00 ATOM 753 C GLU 91 31.796 13.453 35.732 1.00 0.00 ATOM 754 N GLU 92 30.719 13.947 35.122 1.00 0.00 ATOM 755 CA GLU 92 30.667 14.138 33.651 1.00 0.00 ATOM 756 CB GLU 92 29.316 13.679 33.099 1.00 0.00 ATOM 757 CG GLU 92 29.038 12.193 33.271 1.00 0.00 ATOM 758 CD GLU 92 27.689 11.822 32.719 1.00 0.00 ATOM 759 OE1 GLU 92 26.983 12.701 32.284 1.00 0.00 ATOM 760 OE2 GLU 92 27.409 10.650 32.627 1.00 0.00 ATOM 761 O GLU 92 31.141 15.851 32.022 1.00 0.00 ATOM 762 C GLU 92 30.914 15.588 33.199 1.00 0.00 ATOM 763 N ILE 93 30.928 16.516 34.157 1.00 0.00 ATOM 764 CA ILE 93 31.171 17.945 33.853 1.00 0.00 ATOM 765 CB ILE 93 30.993 18.826 35.102 1.00 0.00 ATOM 766 CG1 ILE 93 29.528 18.839 35.544 1.00 0.00 ATOM 767 CG2 ILE 93 31.483 20.240 34.830 1.00 0.00 ATOM 768 CD1 ILE 93 29.284 19.592 36.831 1.00 0.00 ATOM 769 O ILE 93 32.782 18.694 32.228 1.00 0.00 ATOM 770 C ILE 93 32.582 18.113 33.288 1.00 0.00 ATOM 771 N GLN 94 33.547 17.534 34.006 1.00 0.00 ATOM 772 CA GLN 94 34.950 17.591 33.575 1.00 0.00 ATOM 773 CB GLN 94 35.870 17.047 34.672 1.00 0.00 ATOM 774 CG GLN 94 35.711 15.560 34.936 1.00 0.00 ATOM 775 CD GLN 94 36.514 15.097 36.137 1.00 0.00 ATOM 776 OE1 GLN 94 37.232 15.882 36.762 1.00 0.00 ATOM 777 NE2 GLN 94 36.399 13.815 36.466 1.00 0.00 ATOM 778 O GLN 94 36.083 17.189 31.491 1.00 0.00 ATOM 779 C GLN 94 35.209 16.810 32.280 1.00 0.00 ATOM 780 N LYS 95 34.404 15.768 32.080 1.00 0.00 ATOM 781 CA LYS 95 34.457 14.963 30.842 1.00 0.00 ATOM 782 CB LYS 95 33.627 13.687 30.997 1.00 0.00 ATOM 783 CG LYS 95 34.223 12.662 31.953 1.00 0.00 ATOM 784 CD LYS 95 33.341 11.426 32.058 1.00 0.00 ATOM 785 CE LYS 95 33.931 10.405 33.021 1.00 0.00 ATOM 786 NZ LYS 95 33.065 9.202 33.154 1.00 0.00 ATOM 787 O LYS 95 34.391 15.465 28.503 1.00 0.00 ATOM 788 C LYS 95 33.971 15.738 29.622 1.00 0.00 ATOM 789 N ALA 96 33.013 16.622 29.836 1.00 0.00 ATOM 790 CA ALA 96 32.470 17.462 28.753 1.00 0.00 ATOM 791 CB ALA 96 31.276 18.191 29.336 1.00 0.00 ATOM 792 O ALA 96 34.499 18.780 28.925 1.00 0.00 ATOM 793 C ALA 96 33.553 18.417 28.226 1.00 0.00 ATOM 794 N ASP 97 33.370 18.812 26.967 1.00 0.00 ATOM 795 CA ASP 97 34.304 19.729 26.297 1.00 0.00 ATOM 796 CB ASP 97 34.138 19.648 24.777 1.00 0.00 ATOM 797 CG ASP 97 35.177 20.433 23.989 1.00 0.00 ATOM 798 OD1 ASP 97 36.097 20.934 24.590 1.00 0.00 ATOM 799 OD2 ASP 97 35.132 20.393 22.782 1.00 0.00 ATOM 800 O ASP 97 33.499 21.991 26.089 1.00 0.00 ATOM 801 C ASP 97 34.109 21.178 26.766 1.00 0.00 ATOM 802 N LEU 98 34.578 21.447 27.973 1.00 0.00 ATOM 803 CA LEU 98 34.384 22.747 28.632 1.00 0.00 ATOM 804 CB LEU 98 33.776 22.540 30.014 1.00 0.00 ATOM 805 CG LEU 98 32.354 22.033 29.967 1.00 0.00 ATOM 806 CD1 LEU 98 32.002 21.662 31.389 1.00 0.00 ATOM 807 CD2 LEU 98 31.450 23.138 29.458 1.00 0.00 ATOM 808 O LEU 98 36.728 22.803 29.007 1.00 0.00 ATOM 809 C LEU 98 35.710 23.460 28.854 1.00 0.00 ATOM 810 N PRO 99 35.676 24.785 29.015 1.00 0.00 ATOM 811 CA PRO 99 36.855 25.531 29.472 1.00 0.00 ATOM 812 CB PRO 99 36.406 26.994 29.430 1.00 0.00 ATOM 813 CG PRO 99 35.299 27.009 28.376 1.00 0.00 ATOM 814 CD PRO 99 34.601 25.683 28.600 1.00 0.00 ATOM 815 O PRO 99 36.290 24.835 31.718 1.00 0.00 ATOM 816 C PRO 99 37.183 25.058 30.896 1.00 0.00 ATOM 817 N GLU 100 38.467 24.875 31.158 1.00 0.00 ATOM 818 CA GLU 100 38.961 24.356 32.459 1.00 0.00 ATOM 819 CB GLU 100 40.482 24.183 32.424 1.00 0.00 ATOM 820 CG GLU 100 40.964 23.037 31.547 1.00 0.00 ATOM 821 CD GLU 100 42.465 22.988 31.488 1.00 0.00 ATOM 822 OE1 GLU 100 43.091 23.854 32.050 1.00 0.00 ATOM 823 OE2 GLU 100 42.989 22.024 30.980 1.00 0.00 ATOM 824 O GLU 100 38.305 24.708 34.715 1.00 0.00 ATOM 825 C GLU 100 38.597 25.236 33.647 1.00 0.00 ATOM 826 N LYS 101 38.446 26.535 33.395 1.00 0.00 ATOM 827 CA LYS 101 38.024 27.506 34.429 1.00 0.00 ATOM 828 CB LYS 101 38.145 28.937 33.900 1.00 0.00 ATOM 829 CG LYS 101 37.745 30.013 34.900 1.00 0.00 ATOM 830 CD LYS 101 37.944 31.406 34.323 1.00 0.00 ATOM 831 CE LYS 101 37.521 32.482 35.313 1.00 0.00 ATOM 832 NZ LYS 101 37.677 33.850 34.749 1.00 0.00 ATOM 833 O LYS 101 36.315 27.072 36.093 1.00 0.00 ATOM 834 C LYS 101 36.587 27.252 34.907 1.00 0.00 ATOM 835 N VAL 102 35.667 27.248 33.940 1.00 0.00 ATOM 836 CA VAL 102 34.240 27.012 34.229 1.00 0.00 ATOM 837 CB VAL 102 33.282 27.373 33.091 1.00 0.00 ATOM 838 CG1 VAL 102 33.397 28.843 32.690 1.00 0.00 ATOM 839 CG2 VAL 102 33.409 26.478 31.857 1.00 0.00 ATOM 840 O VAL 102 33.144 25.390 35.567 1.00 0.00 ATOM 841 C VAL 102 34.021 25.588 34.750 1.00 0.00 ATOM 842 N LYS 103 34.911 24.659 34.400 1.00 0.00 ATOM 843 CA LYS 103 34.919 23.299 34.984 1.00 0.00 ATOM 844 CB LYS 103 36.060 22.469 34.393 1.00 0.00 ATOM 845 CG LYS 103 36.112 21.030 34.888 1.00 0.00 ATOM 846 CD LYS 103 37.204 20.241 34.180 1.00 0.00 ATOM 847 CE LYS 103 38.588 20.749 34.557 1.00 0.00 ATOM 848 NZ LYS 103 39.667 19.968 33.893 1.00 0.00 ATOM 849 O LYS 103 34.219 22.805 37.227 1.00 0.00 ATOM 850 C LYS 103 35.041 23.379 36.513 1.00 0.00 ATOM 851 N ASP 104 35.959 24.222 36.969 1.00 0.00 ATOM 852 CA ASP 104 36.203 24.440 38.399 1.00 0.00 ATOM 853 CB ASP 104 37.480 25.258 38.606 1.00 0.00 ATOM 854 CG ASP 104 38.768 24.495 38.326 1.00 0.00 ATOM 855 OD1 ASP 104 38.711 23.294 38.207 1.00 0.00 ATOM 856 OD2 ASP 104 39.768 25.127 38.079 1.00 0.00 ATOM 857 O ASP 104 34.531 24.732 40.118 1.00 0.00 ATOM 858 C ASP 104 35.024 25.139 39.071 1.00 0.00 ATOM 859 N LYS 105 34.539 26.178 38.401 1.00 0.00 ATOM 860 CA LYS 105 33.392 26.938 38.902 1.00 0.00 ATOM 861 CB LYS 105 33.153 28.179 38.040 1.00 0.00 ATOM 862 CG LYS 105 34.229 29.250 38.169 1.00 0.00 ATOM 863 CD LYS 105 34.232 29.867 39.559 1.00 0.00 ATOM 864 CE LYS 105 35.278 30.966 39.674 1.00 0.00 ATOM 865 NZ LYS 105 35.301 31.571 41.034 1.00 0.00 ATOM 866 O LYS 105 31.346 26.316 39.914 1.00 0.00 ATOM 867 C LYS 105 32.099 26.121 38.962 1.00 0.00 ATOM 868 N PHE 106 31.950 25.221 37.995 1.00 0.00 ATOM 869 CA PHE 106 30.787 24.320 37.943 1.00 0.00 ATOM 870 CB PHE 106 30.739 23.570 36.612 1.00 0.00 ATOM 871 CG PHE 106 30.502 24.501 35.411 1.00 0.00 ATOM 872 CD1 PHE 106 30.109 25.833 35.577 1.00 0.00 ATOM 873 CD2 PHE 106 30.728 24.042 34.122 1.00 0.00 ATOM 874 CE1 PHE 106 29.935 26.668 34.489 1.00 0.00 ATOM 875 CE2 PHE 106 30.554 24.877 33.033 1.00 0.00 ATOM 876 CZ PHE 106 30.152 26.195 33.207 1.00 0.00 ATOM 877 O PHE 106 29.744 23.208 39.822 1.00 0.00 ATOM 878 C PHE 106 30.754 23.362 39.133 1.00 0.00 ATOM 879 N THR 107 31.940 22.892 39.494 1.00 0.00 ATOM 880 CA THR 107 32.085 22.039 40.678 1.00 0.00 ATOM 881 CB THR 107 33.488 21.407 40.751 1.00 0.00 ATOM 882 CG2 THR 107 33.631 20.572 42.015 1.00 0.00 ATOM 883 OG1 THR 107 33.700 20.573 39.605 1.00 0.00 ATOM 884 O THR 107 31.171 22.320 42.888 1.00 0.00 ATOM 885 C THR 107 31.826 22.820 41.973 1.00 0.00 ATOM 886 N ILE 108 32.398 24.011 42.041 1.00 0.00 ATOM 887 CA ILE 108 32.260 24.880 43.229 1.00 0.00 ATOM 888 CB ILE 108 33.095 26.166 43.090 1.00 0.00 ATOM 889 CG1 ILE 108 34.590 25.835 43.094 1.00 0.00 ATOM 890 CG2 ILE 108 32.760 27.143 44.206 1.00 0.00 ATOM 891 CD1 ILE 108 35.472 26.990 42.678 1.00 0.00 ATOM 892 O ILE 108 30.272 25.147 44.567 1.00 0.00 ATOM 893 C ILE 108 30.773 25.247 43.453 1.00 0.00 ATOM 894 N LYS 109 30.193 25.874 42.445 1.00 0.00 ATOM 895 CA LYS 109 28.804 26.369 42.536 1.00 0.00 ATOM 896 CB LYS 109 28.787 27.883 42.746 1.00 0.00 ATOM 897 CG LYS 109 29.309 28.689 41.563 1.00 0.00 ATOM 898 CD LYS 109 29.223 30.184 41.831 1.00 0.00 ATOM 899 CE LYS 109 29.749 30.989 40.652 1.00 0.00 ATOM 900 NZ LYS 109 29.689 32.454 40.906 1.00 0.00 ATOM 901 O LYS 109 28.655 25.609 40.319 1.00 0.00 ATOM 902 C LYS 109 27.987 26.011 41.291 1.00 0.00 TER END