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 4 Thu Jul 24 13:25:58 2008 MODEL 4 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 21.740 26.603 49.007 1.00 0.00 ATOM 2 CA MET 1 22.913 26.398 48.139 1.00 0.00 ATOM 3 CB MET 1 23.116 24.909 47.973 1.00 0.00 ATOM 4 CG MET 1 23.093 24.166 49.303 1.00 0.00 ATOM 5 SD MET 1 24.336 24.697 50.530 1.00 0.00 ATOM 6 CE MET 1 23.939 23.554 51.824 1.00 0.00 ATOM 7 O MET 1 21.511 27.024 46.296 1.00 0.00 ATOM 8 C MET 1 22.657 26.950 46.741 1.00 0.00 ATOM 9 N GLU 2 23.724 27.336 46.049 1.00 0.00 ATOM 10 CA GLU 2 23.592 27.867 44.727 1.00 0.00 ATOM 11 CB GLU 2 23.954 29.349 44.623 1.00 0.00 ATOM 12 CG GLU 2 22.979 30.277 45.330 1.00 0.00 ATOM 13 CD GLU 2 23.344 31.740 45.162 1.00 0.00 ATOM 14 OE1 GLU 2 24.382 32.025 44.531 1.00 0.00 ATOM 15 OE2 GLU 2 22.589 32.601 45.664 1.00 0.00 ATOM 16 O GLU 2 25.606 26.698 44.169 1.00 0.00 ATOM 17 C GLU 2 24.506 27.098 43.788 1.00 0.00 ATOM 18 N ARG 3 24.051 26.889 42.556 1.00 0.00 ATOM 19 CA ARG 3 24.844 26.166 41.570 1.00 0.00 ATOM 20 CB ARG 3 24.359 24.722 41.419 1.00 0.00 ATOM 21 CG ARG 3 24.535 23.876 42.669 1.00 0.00 ATOM 22 CD ARG 3 26.005 23.610 42.954 1.00 0.00 ATOM 23 NE ARG 3 26.187 22.727 44.103 1.00 0.00 ATOM 24 CZ ARG 3 26.248 23.142 45.363 1.00 0.00 ATOM 25 NH1 ARG 3 26.417 22.265 46.344 1.00 0.00 ATOM 26 NH2 ARG 3 26.140 24.435 45.642 1.00 0.00 ATOM 27 O ARG 3 23.591 27.065 39.771 1.00 0.00 ATOM 28 C ARG 3 24.701 26.829 40.250 1.00 0.00 ATOM 29 N ALA 4 25.835 27.143 39.632 1.00 0.00 ATOM 30 CA ALA 4 25.829 27.795 38.327 1.00 0.00 ATOM 31 CB ALA 4 26.315 29.233 38.445 1.00 0.00 ATOM 32 O ALA 4 27.771 26.494 37.781 1.00 0.00 ATOM 33 C ALA 4 26.741 27.058 37.353 1.00 0.00 ATOM 34 N SER 5 26.357 27.067 36.098 1.00 0.00 ATOM 35 CA SER 5 27.254 26.668 35.011 1.00 0.00 ATOM 36 CB SER 5 27.251 25.148 34.845 1.00 0.00 ATOM 37 OG SER 5 26.000 24.688 34.364 1.00 0.00 ATOM 38 O SER 5 25.775 27.607 33.372 1.00 0.00 ATOM 39 C SER 5 26.923 27.253 33.642 1.00 0.00 ATOM 40 N LEU 6 27.930 27.352 32.779 1.00 0.00 ATOM 41 CA LEU 6 27.722 27.882 31.475 1.00 0.00 ATOM 42 CB LEU 6 29.052 28.279 30.842 1.00 0.00 ATOM 43 CG LEU 6 29.916 29.246 31.661 1.00 0.00 ATOM 44 CD1 LEU 6 31.230 29.475 30.909 1.00 0.00 ATOM 45 CD2 LEU 6 29.150 30.519 31.924 1.00 0.00 ATOM 46 O LEU 6 27.359 25.679 30.617 1.00 0.00 ATOM 47 C LEU 6 26.964 26.845 30.672 1.00 0.00 ATOM 48 N ASN 7 25.856 27.232 30.046 1.00 0.00 ATOM 49 CA ASN 7 25.047 26.318 29.247 1.00 0.00 ATOM 50 CB ASN 7 23.481 26.999 29.545 1.00 0.00 ATOM 51 CG ASN 7 22.293 26.178 30.014 1.00 0.00 ATOM 52 ND2 ASN 7 21.170 26.307 29.314 1.00 0.00 ATOM 53 OD1 ASN 7 22.381 25.453 31.003 1.00 0.00 ATOM 54 O ASN 7 24.961 25.588 26.964 1.00 0.00 ATOM 55 C ASN 7 25.202 26.511 27.743 1.00 0.00 ATOM 56 N ARG 8 25.606 27.711 27.337 1.00 0.00 ATOM 57 CA ARG 8 25.796 28.023 25.890 1.00 0.00 ATOM 58 CB ARG 8 24.389 28.281 25.345 1.00 0.00 ATOM 59 CG ARG 8 24.337 28.506 23.843 1.00 0.00 ATOM 60 CD ARG 8 22.911 28.733 23.368 1.00 0.00 ATOM 61 NE ARG 8 22.839 28.920 21.921 1.00 0.00 ATOM 62 CZ ARG 8 21.725 29.214 21.259 1.00 0.00 ATOM 63 NH1 ARG 8 21.756 29.366 19.941 1.00 0.00 ATOM 64 NH2 ARG 8 20.582 29.356 21.916 1.00 0.00 ATOM 65 O ARG 8 26.700 30.073 26.721 1.00 0.00 ATOM 66 C ARG 8 26.615 29.289 25.775 1.00 0.00 ATOM 67 N ILE 9 27.225 29.493 24.612 1.00 0.00 ATOM 68 CA ILE 9 28.041 30.681 24.385 1.00 0.00 ATOM 69 CB ILE 9 29.557 30.409 24.584 1.00 0.00 ATOM 70 CG1 ILE 9 30.018 29.332 23.598 1.00 0.00 ATOM 71 CG2 ILE 9 29.842 29.955 26.026 1.00 0.00 ATOM 72 CD1 ILE 9 31.515 29.026 23.668 1.00 0.00 ATOM 73 O ILE 9 27.348 30.602 22.100 1.00 0.00 ATOM 74 C ILE 9 27.745 31.294 23.023 1.00 0.00 ATOM 75 N GLY 10 28.001 32.580 22.923 1.00 0.00 ATOM 76 CA GLY 10 28.048 33.289 21.630 1.00 0.00 ATOM 77 O GLY 10 30.392 32.934 21.811 1.00 0.00 ATOM 78 C GLY 10 29.502 33.656 21.396 1.00 0.00 ATOM 79 N LYS 11 29.752 34.825 20.842 1.00 0.00 ATOM 80 CA LYS 11 31.102 35.248 20.509 1.00 0.00 ATOM 81 CB LYS 11 31.069 36.412 19.517 1.00 0.00 ATOM 82 CG LYS 11 32.443 36.888 19.073 1.00 0.00 ATOM 83 CD LYS 11 32.336 37.933 17.975 1.00 0.00 ATOM 84 CE LYS 11 33.710 38.363 17.486 1.00 0.00 ATOM 85 NZ LYS 11 33.622 39.362 16.386 1.00 0.00 ATOM 86 O LYS 11 32.913 35.162 22.052 1.00 0.00 ATOM 87 C LYS 11 31.835 35.682 21.759 1.00 0.00 ATOM 88 N ASP 12 31.248 36.632 22.484 1.00 0.00 ATOM 89 CA ASP 12 31.804 37.147 23.729 1.00 0.00 ATOM 90 CB ASP 12 31.910 38.806 23.590 1.00 0.00 ATOM 91 CG ASP 12 31.856 39.346 22.188 1.00 0.00 ATOM 92 OD1 ASP 12 32.657 38.909 21.333 1.00 0.00 ATOM 93 OD2 ASP 12 31.011 40.232 21.933 1.00 0.00 ATOM 94 O ASP 12 31.221 37.271 26.053 1.00 0.00 ATOM 95 C ASP 12 30.879 36.925 24.922 1.00 0.00 ATOM 96 N VAL 13 29.711 36.346 24.667 1.00 0.00 ATOM 97 CA VAL 13 28.735 36.078 25.741 1.00 0.00 ATOM 98 CB VAL 13 27.356 36.557 25.248 1.00 0.00 ATOM 99 CG1 VAL 13 27.387 38.047 24.948 1.00 0.00 ATOM 100 CG2 VAL 13 26.959 35.820 23.979 1.00 0.00 ATOM 101 O VAL 13 28.658 33.730 25.323 1.00 0.00 ATOM 102 C VAL 13 28.534 34.627 26.166 1.00 0.00 ATOM 103 N TYR 14 28.223 34.454 27.436 1.00 0.00 ATOM 104 CA TYR 14 27.938 33.115 27.951 1.00 0.00 ATOM 105 CB TYR 14 29.130 32.624 28.806 1.00 0.00 ATOM 106 CG TYR 14 29.872 33.690 29.589 1.00 0.00 ATOM 107 CD1 TYR 14 30.753 34.558 28.944 1.00 0.00 ATOM 108 CD2 TYR 14 29.705 33.824 30.972 1.00 0.00 ATOM 109 CE1 TYR 14 31.452 35.532 29.646 1.00 0.00 ATOM 110 CE2 TYR 14 30.396 34.797 31.685 1.00 0.00 ATOM 111 CZ TYR 14 31.267 35.651 31.013 1.00 0.00 ATOM 112 OH TYR 14 31.936 36.655 31.687 1.00 0.00 ATOM 113 O TYR 14 26.265 34.033 29.389 1.00 0.00 ATOM 114 C TYR 14 26.582 33.118 28.623 1.00 0.00 ATOM 115 N TYR 15 25.768 32.118 28.328 1.00 0.00 ATOM 116 CA TYR 15 24.604 31.875 29.146 1.00 0.00 ATOM 117 CB TYR 15 23.548 31.094 28.360 1.00 0.00 ATOM 118 CG TYR 15 22.846 31.911 27.299 1.00 0.00 ATOM 119 CD1 TYR 15 23.265 31.865 25.974 1.00 0.00 ATOM 120 CD2 TYR 15 21.770 32.724 27.623 1.00 0.00 ATOM 121 CE1 TYR 15 22.630 32.608 24.998 1.00 0.00 ATOM 122 CE2 TYR 15 21.122 33.474 26.660 1.00 0.00 ATOM 123 CZ TYR 15 21.562 33.410 25.338 1.00 0.00 ATOM 124 OH TYR 15 20.928 34.150 24.367 1.00 0.00 ATOM 125 O TYR 15 25.706 30.092 30.313 1.00 0.00 ATOM 126 C TYR 15 24.996 31.096 30.397 1.00 0.00 ATOM 127 N MET 16 24.536 31.558 31.554 1.00 0.00 ATOM 128 CA MET 16 24.848 30.895 32.802 1.00 0.00 ATOM 129 CB MET 16 25.599 31.836 33.745 1.00 0.00 ATOM 130 CG MET 16 25.955 31.217 35.088 1.00 0.00 ATOM 131 SD MET 16 26.881 32.341 36.149 1.00 0.00 ATOM 132 CE MET 16 28.487 32.313 35.355 1.00 0.00 ATOM 133 O MET 16 22.688 31.325 33.773 1.00 0.00 ATOM 134 C MET 16 23.545 30.483 33.504 1.00 0.00 ATOM 135 N GLN 17 23.407 29.194 33.798 1.00 0.00 ATOM 136 CA GLN 17 22.211 28.695 34.467 1.00 0.00 ATOM 137 CB GLN 17 21.833 27.307 33.946 1.00 0.00 ATOM 138 CG GLN 17 20.581 26.725 34.582 1.00 0.00 ATOM 139 CD GLN 17 20.206 25.377 34.001 1.00 0.00 ATOM 140 OE1 GLN 17 20.848 24.890 33.070 1.00 0.00 ATOM 141 NE2 GLN 17 19.161 24.768 34.549 1.00 0.00 ATOM 142 O GLN 17 23.608 28.174 36.346 1.00 0.00 ATOM 143 C GLN 17 22.533 28.632 35.956 1.00 0.00 ATOM 144 N ILE 18 21.600 29.088 36.786 1.00 0.00 ATOM 145 CA ILE 18 21.802 29.070 38.209 1.00 0.00 ATOM 146 CB ILE 18 21.923 30.497 38.762 1.00 0.00 ATOM 147 CG1 ILE 18 23.240 31.126 38.294 1.00 0.00 ATOM 148 CG2 ILE 18 21.853 30.459 40.285 1.00 0.00 ATOM 149 CD1 ILE 18 23.420 32.566 38.724 1.00 0.00 ATOM 150 O ILE 18 19.448 28.763 38.667 1.00 0.00 ATOM 151 C ILE 18 20.600 28.435 38.955 1.00 0.00 ATOM 152 N LYS 19 20.881 27.541 39.897 1.00 0.00 ATOM 153 CA LYS 19 19.822 26.887 40.657 1.00 0.00 ATOM 154 CB LYS 19 19.825 25.381 40.591 1.00 0.00 ATOM 155 CG LYS 19 18.780 24.717 41.469 1.00 0.00 ATOM 156 CD LYS 19 19.040 23.221 41.524 1.00 0.00 ATOM 157 CE LYS 19 18.093 22.507 42.486 1.00 0.00 ATOM 158 NZ LYS 19 18.489 22.800 43.899 1.00 0.00 ATOM 159 O LYS 19 21.150 27.224 42.610 1.00 0.00 ATOM 160 C LYS 19 20.028 27.252 42.104 1.00 0.00 ATOM 161 N GLY 20 18.939 27.601 42.783 1.00 0.00 ATOM 162 CA GLY 20 19.015 27.972 44.192 1.00 0.00 ATOM 163 O GLY 20 17.131 26.514 44.365 1.00 0.00 ATOM 164 C GLY 20 18.161 26.951 44.906 1.00 0.00 ATOM 165 N GLU 21 18.525 26.594 46.188 1.00 0.00 ATOM 166 CA GLU 21 17.759 25.706 47.059 1.00 0.00 ATOM 167 CB GLU 21 18.233 24.241 47.065 1.00 0.00 ATOM 168 CG GLU 21 19.737 23.957 47.280 1.00 0.00 ATOM 169 CD GLU 21 20.497 23.473 46.012 1.00 0.00 ATOM 170 OE1 GLU 21 20.469 24.162 44.950 1.00 0.00 ATOM 171 OE2 GLU 21 21.133 22.395 46.086 1.00 0.00 ATOM 172 O GLU 21 19.049 26.424 48.940 1.00 0.00 ATOM 173 C GLU 21 17.943 26.170 48.493 1.00 0.00 ATOM 174 N GLY 22 16.844 26.282 49.222 1.00 0.00 ATOM 175 CA GLY 22 16.916 26.662 50.618 1.00 0.00 ATOM 176 O GLY 22 18.004 24.513 50.636 1.00 0.00 ATOM 177 C GLY 22 17.750 25.558 51.243 1.00 0.00 ATOM 178 N THR 23 18.197 25.767 52.439 1.00 0.00 ATOM 179 CA THR 23 18.999 24.774 53.137 1.00 0.00 ATOM 180 CB THR 23 19.548 25.313 54.470 1.00 0.00 ATOM 181 CG2 THR 23 20.412 26.543 54.232 1.00 0.00 ATOM 182 OG1 THR 23 18.459 25.673 55.329 1.00 0.00 ATOM 183 O THR 23 17.104 23.439 53.755 1.00 0.00 ATOM 184 C THR 23 18.294 23.456 53.438 1.00 0.00 ATOM 185 N ILE 24 19.029 22.353 53.339 1.00 0.00 ATOM 186 CA ILE 24 18.458 21.033 53.608 1.00 0.00 ATOM 187 CB ILE 24 18.637 20.102 52.611 1.00 0.00 ATOM 188 CG1 ILE 24 19.777 20.110 51.578 1.00 0.00 ATOM 189 CG2 ILE 24 17.257 20.197 51.960 1.00 0.00 ATOM 190 CD1 ILE 24 20.048 18.768 50.907 1.00 0.00 ATOM 191 O ILE 24 20.613 20.359 54.379 1.00 0.00 ATOM 192 C ILE 24 19.401 20.369 54.609 1.00 0.00 ATOM 193 N GLU 25 18.060 19.236 55.795 1.00 0.00 ATOM 194 CA GLU 25 18.005 17.783 55.680 1.00 0.00 ATOM 195 CB GLU 25 17.079 17.044 56.473 1.00 0.00 ATOM 196 CG GLU 25 17.593 16.746 57.881 1.00 0.00 ATOM 197 CD GLU 25 17.745 17.985 58.745 1.00 0.00 ATOM 198 OE1 GLU 25 16.861 18.866 58.692 1.00 0.00 ATOM 199 OE2 GLU 25 18.745 18.070 59.489 1.00 0.00 ATOM 200 O GLU 25 18.124 17.107 53.383 1.00 0.00 ATOM 201 C GLU 25 17.478 17.689 54.256 1.00 0.00 ATOM 202 N LYS 26 16.302 18.262 54.018 1.00 0.00 ATOM 203 CA LYS 26 15.702 18.236 52.689 1.00 0.00 ATOM 204 CB LYS 26 14.179 18.210 52.822 1.00 0.00 ATOM 205 CG LYS 26 13.629 16.931 53.433 1.00 0.00 ATOM 206 CD LYS 26 12.118 16.992 53.578 1.00 0.00 ATOM 207 CE LYS 26 11.566 15.698 54.153 1.00 0.00 ATOM 208 NZ LYS 26 10.084 15.740 54.294 1.00 0.00 ATOM 209 O LYS 26 15.898 20.542 52.055 1.00 0.00 ATOM 210 C LYS 26 16.105 19.367 51.749 1.00 0.00 ATOM 211 N VAL 27 16.679 19.012 50.604 1.00 0.00 ATOM 212 CA VAL 27 17.109 20.017 49.615 1.00 0.00 ATOM 213 CB VAL 27 18.172 19.413 48.745 1.00 0.00 ATOM 214 CG1 VAL 27 18.592 20.570 47.835 1.00 0.00 ATOM 215 CG2 VAL 27 19.341 19.016 49.639 1.00 0.00 ATOM 216 O VAL 27 15.839 19.560 47.632 1.00 0.00 ATOM 217 C VAL 27 15.989 20.286 48.615 1.00 0.00 ATOM 218 N ASP 28 15.205 21.329 48.868 1.00 0.00 ATOM 219 CA ASP 28 14.135 21.663 47.994 1.00 0.00 ATOM 220 CB ASP 28 12.928 22.179 48.779 1.00 0.00 ATOM 221 CG ASP 28 12.379 21.150 49.746 1.00 0.00 ATOM 222 OD1 ASP 28 12.812 19.980 49.678 1.00 0.00 ATOM 223 OD2 ASP 28 11.515 21.512 50.574 1.00 0.00 ATOM 224 O ASP 28 15.368 23.579 47.238 1.00 0.00 ATOM 225 C ASP 28 14.588 22.672 46.943 1.00 0.00 ATOM 226 N GLY 29 14.099 22.515 45.716 1.00 0.00 ATOM 227 CA GLY 29 14.463 23.422 44.635 1.00 0.00 ATOM 228 O GLY 29 12.639 24.934 45.108 1.00 0.00 ATOM 229 C GLY 29 13.855 24.808 44.955 1.00 0.00 ATOM 230 N ARG 30 14.702 25.828 45.054 1.00 0.00 ATOM 231 CA ARG 30 14.232 27.176 45.350 1.00 0.00 ATOM 232 CB ARG 30 15.252 27.979 46.079 1.00 0.00 ATOM 233 CG ARG 30 14.967 29.441 46.268 1.00 0.00 ATOM 234 CD ARG 30 16.114 30.098 47.050 1.00 0.00 ATOM 235 NE ARG 30 15.816 31.474 47.472 1.00 0.00 ATOM 236 CZ ARG 30 15.591 31.894 48.727 1.00 0.00 ATOM 237 NH1 ARG 30 15.623 31.064 49.780 1.00 0.00 ATOM 238 NH2 ARG 30 15.333 33.174 48.947 1.00 0.00 ATOM 239 O ARG 30 12.868 28.536 43.962 1.00 0.00 ATOM 240 C ARG 30 13.919 27.907 44.089 1.00 0.00 ATOM 241 N ASN 31 14.835 27.833 43.129 1.00 0.00 ATOM 242 CA ASN 31 14.644 28.503 41.847 1.00 0.00 ATOM 243 CB ASN 31 14.606 30.031 41.910 1.00 0.00 ATOM 244 CG ASN 31 15.893 30.624 42.446 1.00 0.00 ATOM 245 ND2 ASN 31 15.798 31.318 43.576 1.00 0.00 ATOM 246 OD1 ASN 31 16.959 30.461 41.853 1.00 0.00 ATOM 247 O ASN 31 16.695 27.477 41.144 1.00 0.00 ATOM 248 C ASN 31 15.697 28.119 40.814 1.00 0.00 ATOM 249 N LEU 32 15.475 28.512 39.565 1.00 0.00 ATOM 250 CA LEU 32 16.412 28.204 38.505 1.00 0.00 ATOM 251 CB LEU 32 16.020 26.980 37.675 1.00 0.00 ATOM 252 CG LEU 32 14.618 26.997 37.063 1.00 0.00 ATOM 253 CD1 LEU 32 14.608 27.787 35.763 1.00 0.00 ATOM 254 CD2 LEU 32 14.145 25.583 36.763 1.00 0.00 ATOM 255 O LEU 32 15.263 30.014 37.428 1.00 0.00 ATOM 256 C LEU 32 16.332 29.425 37.596 1.00 0.00 ATOM 257 N ARG 33 17.463 29.806 37.011 1.00 0.00 ATOM 258 CA ARG 33 17.485 30.916 36.155 1.00 0.00 ATOM 259 CB ARG 33 17.748 32.172 36.988 1.00 0.00 ATOM 260 CG ARG 33 16.622 32.531 37.944 1.00 0.00 ATOM 261 CD ARG 33 16.910 33.834 38.671 1.00 0.00 ATOM 262 NE ARG 33 15.819 34.215 39.565 1.00 0.00 ATOM 263 CZ ARG 33 15.835 35.288 40.348 1.00 0.00 ATOM 264 NH1 ARG 33 14.795 35.555 41.127 1.00 0.00 ATOM 265 NH2 ARG 33 16.890 36.092 40.351 1.00 0.00 ATOM 266 O ARG 33 19.469 29.996 35.188 1.00 0.00 ATOM 267 C ARG 33 18.586 30.802 35.089 1.00 0.00 ATOM 268 N ASN 34 18.411 31.534 34.009 1.00 0.00 ATOM 269 CA ASN 34 19.482 31.787 33.025 1.00 0.00 ATOM 270 CB ASN 34 19.017 31.408 31.617 1.00 0.00 ATOM 271 CG ASN 34 18.782 29.918 31.464 1.00 0.00 ATOM 272 ND2 ASN 34 17.876 29.552 30.564 1.00 0.00 ATOM 273 OD1 ASN 34 19.410 29.107 32.145 1.00 0.00 ATOM 274 O ASN 34 19.086 34.117 33.504 1.00 0.00 ATOM 275 C ASN 34 19.898 33.251 33.125 1.00 0.00 ATOM 276 N TYR 35 21.193 33.503 32.907 1.00 0.00 ATOM 277 CA TYR 35 21.704 34.817 32.797 1.00 0.00 ATOM 278 CB TYR 35 22.573 35.218 33.992 1.00 0.00 ATOM 279 CG TYR 35 21.814 35.319 35.295 1.00 0.00 ATOM 280 CD1 TYR 35 21.698 34.221 36.138 1.00 0.00 ATOM 281 CD2 TYR 35 21.213 36.512 35.677 1.00 0.00 ATOM 282 CE1 TYR 35 21.006 34.305 37.332 1.00 0.00 ATOM 283 CE2 TYR 35 20.516 36.614 36.867 1.00 0.00 ATOM 284 CZ TYR 35 20.416 35.497 37.694 1.00 0.00 ATOM 285 OH TYR 35 19.726 35.582 38.882 1.00 0.00 ATOM 286 O TYR 35 23.063 33.901 31.018 1.00 0.00 ATOM 287 C TYR 35 22.563 34.913 31.545 1.00 0.00 ATOM 288 N THR 36 22.745 36.108 31.074 1.00 0.00 ATOM 289 CA THR 36 23.643 36.396 29.960 1.00 0.00 ATOM 290 CB THR 36 22.925 37.181 28.845 1.00 0.00 ATOM 291 CG2 THR 36 23.882 37.472 27.700 1.00 0.00 ATOM 292 OG1 THR 36 21.825 36.409 28.347 1.00 0.00 ATOM 293 O THR 36 24.624 38.272 31.076 1.00 0.00 ATOM 294 C THR 36 24.806 37.182 30.529 1.00 0.00 ATOM 295 N LEU 37 26.009 36.633 30.402 1.00 0.00 ATOM 296 CA LEU 37 27.202 37.300 30.909 1.00 0.00 ATOM 297 CB LEU 37 27.906 36.456 32.012 1.00 0.00 ATOM 298 CG LEU 37 27.118 35.976 33.238 1.00 0.00 ATOM 299 CD1 LEU 37 28.018 35.122 34.105 1.00 0.00 ATOM 300 CD2 LEU 37 26.579 37.150 34.044 1.00 0.00 ATOM 301 O LEU 37 28.750 36.757 29.136 1.00 0.00 ATOM 302 C LEU 37 28.229 37.643 29.835 1.00 0.00 ATOM 303 N PRO 38 28.556 38.892 29.659 1.00 0.00 ATOM 304 CA PRO 38 29.603 39.299 28.718 1.00 0.00 ATOM 305 CB PRO 38 29.210 40.722 28.315 1.00 0.00 ATOM 306 CG PRO 38 28.425 41.236 29.474 1.00 0.00 ATOM 307 CD PRO 38 27.731 40.043 30.069 1.00 0.00 ATOM 308 O PRO 38 31.278 39.689 30.371 1.00 0.00 ATOM 309 C PRO 38 31.023 39.236 29.259 1.00 0.00 ATOM 310 N ALA 39 31.927 38.708 28.478 1.00 0.00 ATOM 311 CA ALA 39 33.362 38.769 28.729 1.00 0.00 ATOM 312 CB ALA 39 34.110 37.657 28.009 1.00 0.00 ATOM 313 O ALA 39 33.505 40.594 27.179 1.00 0.00 ATOM 314 C ALA 39 33.875 40.124 28.257 1.00 0.00 ATOM 315 N TYR 40 34.726 40.751 29.062 1.00 0.00 ATOM 316 CA TYR 40 35.276 42.041 28.709 1.00 0.00 ATOM 317 CB TYR 40 34.392 43.204 29.291 1.00 0.00 ATOM 318 CG TYR 40 34.238 43.037 30.784 1.00 0.00 ATOM 319 CD1 TYR 40 35.187 43.575 31.628 1.00 0.00 ATOM 320 CD2 TYR 40 33.150 42.359 31.337 1.00 0.00 ATOM 321 CE1 TYR 40 35.126 43.445 33.014 1.00 0.00 ATOM 322 CE2 TYR 40 33.088 42.239 32.719 1.00 0.00 ATOM 323 CZ TYR 40 34.041 42.766 33.535 1.00 0.00 ATOM 324 OH TYR 40 33.957 42.636 34.907 1.00 0.00 ATOM 325 O TYR 40 37.342 41.588 29.841 1.00 0.00 ATOM 326 C TYR 40 36.790 42.116 28.875 1.00 0.00 ATOM 327 N ASP 41 37.459 42.773 27.933 1.00 0.00 ATOM 328 CA ASP 41 38.931 42.914 27.987 1.00 0.00 ATOM 329 CB ASP 41 39.488 43.292 26.612 1.00 0.00 ATOM 330 CG ASP 41 39.019 44.658 26.150 1.00 0.00 ATOM 331 OD1 ASP 41 38.508 45.427 26.990 1.00 0.00 ATOM 332 OD2 ASP 41 39.165 44.959 24.946 1.00 0.00 ATOM 333 O ASP 41 38.345 44.468 29.739 1.00 0.00 ATOM 334 C ASP 41 39.247 43.994 29.047 1.00 0.00 ATOM 335 N GLU 42 40.517 44.370 29.160 1.00 0.00 ATOM 336 CA GLU 42 40.921 45.383 30.127 1.00 0.00 ATOM 337 CB GLU 42 42.438 45.585 30.135 1.00 0.00 ATOM 338 CG GLU 42 43.219 44.389 30.655 1.00 0.00 ATOM 339 CD GLU 42 44.720 44.591 30.564 1.00 0.00 ATOM 340 OE1 GLU 42 45.147 45.628 30.015 1.00 0.00 ATOM 341 OE2 GLU 42 45.467 43.713 31.042 1.00 0.00 ATOM 342 O GLU 42 40.114 47.505 30.914 1.00 0.00 ATOM 343 C GLU 42 40.244 46.744 29.955 1.00 0.00 ATOM 344 N ASP 43 39.815 47.044 28.733 1.00 0.00 ATOM 345 CA ASP 43 39.152 48.313 28.455 1.00 0.00 ATOM 346 CB ASP 43 39.561 48.723 27.039 1.00 0.00 ATOM 347 CG ASP 43 41.055 48.939 26.902 1.00 0.00 ATOM 348 OD1 ASP 43 41.638 49.622 27.769 1.00 0.00 ATOM 349 OD2 ASP 43 41.641 48.425 25.926 1.00 0.00 ATOM 350 O ASP 43 36.913 49.142 28.228 1.00 0.00 ATOM 351 C ASP 43 37.635 48.195 28.542 1.00 0.00 ATOM 352 N GLY 44 37.153 47.032 28.971 1.00 0.00 ATOM 353 CA GLY 44 35.719 46.810 29.095 1.00 0.00 ATOM 354 O GLY 44 33.739 46.320 27.905 1.00 0.00 ATOM 355 C GLY 44 34.965 46.439 27.884 1.00 0.00 ATOM 356 N VAL 45 35.690 46.246 26.787 1.00 0.00 ATOM 357 CA VAL 45 35.064 45.873 25.523 1.00 0.00 ATOM 358 CB VAL 45 36.007 46.186 24.347 1.00 0.00 ATOM 359 CG1 VAL 45 35.424 45.662 23.044 1.00 0.00 ATOM 360 CG2 VAL 45 36.213 47.686 24.214 1.00 0.00 ATOM 361 O VAL 45 35.667 43.581 25.937 1.00 0.00 ATOM 362 C VAL 45 34.813 44.361 25.512 1.00 0.00 ATOM 363 N LYS 46 33.644 43.954 25.027 1.00 0.00 ATOM 364 CA LYS 46 33.301 42.537 24.969 1.00 0.00 ATOM 365 CB LYS 46 32.018 42.277 24.177 1.00 0.00 ATOM 366 CG LYS 46 30.763 42.839 24.826 1.00 0.00 ATOM 367 CD LYS 46 29.526 42.516 24.006 1.00 0.00 ATOM 368 CE LYS 46 28.281 43.138 24.618 1.00 0.00 ATOM 369 NZ LYS 46 27.068 42.873 23.796 1.00 0.00 ATOM 370 O LYS 46 34.915 42.026 23.270 1.00 0.00 ATOM 371 C LYS 46 34.412 41.699 24.345 1.00 0.00 ATOM 372 N LYS 47 34.794 40.621 25.022 1.00 0.00 ATOM 373 CA LYS 47 35.829 39.764 24.521 1.00 0.00 ATOM 374 CB LYS 47 36.827 39.829 25.679 1.00 0.00 ATOM 375 CG LYS 47 38.119 39.068 25.430 1.00 0.00 ATOM 376 CD LYS 47 39.076 39.203 26.601 1.00 0.00 ATOM 377 CE LYS 47 40.364 38.435 26.355 1.00 0.00 ATOM 378 NZ LYS 47 41.319 38.573 27.489 1.00 0.00 ATOM 379 O LYS 47 34.497 37.825 25.052 1.00 0.00 ATOM 380 C LYS 47 35.354 38.310 24.316 1.00 0.00 ATOM 381 N GLN 48 35.925 37.590 23.340 1.00 0.00 ATOM 382 CA GLN 48 35.529 36.211 23.061 1.00 0.00 ATOM 383 CB GLN 48 36.379 35.626 21.930 1.00 0.00 ATOM 384 CG GLN 48 35.974 34.224 21.510 1.00 0.00 ATOM 385 CD GLN 48 36.775 33.715 20.329 1.00 0.00 ATOM 386 OE1 GLN 48 37.655 34.409 19.818 1.00 0.00 ATOM 387 NE2 GLN 48 36.473 32.500 19.889 1.00 0.00 ATOM 388 O GLN 48 36.601 35.352 25.022 1.00 0.00 ATOM 389 C GLN 48 35.645 35.274 24.250 1.00 0.00 ATOM 390 N ILE 49 34.670 34.383 24.400 1.00 0.00 ATOM 391 CA ILE 49 34.677 33.431 25.504 1.00 0.00 ATOM 392 CB ILE 49 33.363 33.398 26.275 1.00 0.00 ATOM 393 CG1 ILE 49 33.391 32.413 27.451 1.00 0.00 ATOM 394 CG2 ILE 49 32.129 33.141 25.397 1.00 0.00 ATOM 395 CD1 ILE 49 34.310 32.732 28.565 1.00 0.00 ATOM 396 O ILE 49 34.269 31.787 23.805 1.00 0.00 ATOM 397 C ILE 49 34.735 32.024 24.920 1.00 0.00 ATOM 398 N THR 50 35.307 31.090 25.675 1.00 0.00 ATOM 399 CA THR 50 35.408 29.738 25.219 1.00 0.00 ATOM 400 CB THR 50 36.839 29.344 24.806 1.00 0.00 ATOM 401 CG2 THR 50 36.873 27.907 24.309 1.00 0.00 ATOM 402 OG1 THR 50 37.292 30.210 23.758 1.00 0.00 ATOM 403 O THR 50 35.732 28.463 27.201 1.00 0.00 ATOM 404 C THR 50 35.044 28.669 26.199 1.00 0.00 ATOM 405 N PHE 51 33.949 27.968 25.922 1.00 0.00 ATOM 406 CA PHE 51 33.494 26.897 26.801 1.00 0.00 ATOM 407 CB PHE 51 31.992 26.828 27.072 1.00 0.00 ATOM 408 CG PHE 51 31.711 25.684 27.998 1.00 0.00 ATOM 409 CD1 PHE 51 31.524 25.850 29.353 1.00 0.00 ATOM 410 CD2 PHE 51 31.628 24.402 27.462 1.00 0.00 ATOM 411 CE1 PHE 51 31.264 24.764 30.177 1.00 0.00 ATOM 412 CE2 PHE 51 31.363 23.309 28.270 1.00 0.00 ATOM 413 CZ PHE 51 31.195 23.514 29.621 1.00 0.00 ATOM 414 O PHE 51 33.304 25.284 24.987 1.00 0.00 ATOM 415 C PHE 51 33.943 25.630 25.981 1.00 0.00 ATOM 416 N ARG 52 35.017 24.977 26.411 1.00 0.00 ATOM 417 CA ARG 52 35.508 23.791 25.720 1.00 0.00 ATOM 418 CB ARG 52 37.020 23.626 25.825 1.00 0.00 ATOM 419 CG ARG 52 37.622 22.372 25.157 1.00 0.00 ATOM 420 CD ARG 52 37.532 22.503 23.649 1.00 0.00 ATOM 421 NE ARG 52 38.071 23.731 23.093 1.00 0.00 ATOM 422 CZ ARG 52 37.447 24.649 22.351 1.00 0.00 ATOM 423 NH1 ARG 52 36.169 24.571 22.006 1.00 0.00 ATOM 424 NH2 ARG 52 38.135 25.694 21.931 1.00 0.00 ATOM 425 O ARG 52 34.835 22.322 27.471 1.00 0.00 ATOM 426 C ARG 52 34.731 22.595 26.280 1.00 0.00 ATOM 427 N SER 53 33.951 21.877 25.471 1.00 0.00 ATOM 428 CA SER 53 33.197 20.710 25.980 1.00 0.00 ATOM 429 CB SER 53 32.204 20.214 24.927 1.00 0.00 ATOM 430 OG SER 53 32.877 19.661 23.810 1.00 0.00 ATOM 431 O SER 53 35.236 19.486 25.668 1.00 0.00 ATOM 432 C SER 53 34.161 19.563 26.264 1.00 0.00 ATOM 433 N THR 54 33.775 18.673 27.172 1.00 0.00 ATOM 434 CA THR 54 34.616 17.536 27.520 1.00 0.00 ATOM 435 CB THR 54 34.986 17.625 29.053 1.00 0.00 ATOM 436 CG2 THR 54 35.737 16.330 29.552 1.00 0.00 ATOM 437 OG1 THR 54 35.841 18.748 29.265 1.00 0.00 ATOM 438 O THR 54 34.874 15.299 26.629 1.00 0.00 ATOM 439 C THR 54 34.340 16.400 26.492 1.00 0.00 ATOM 440 N LYS 55 33.517 16.683 25.487 1.00 0.00 ATOM 441 CA LYS 55 33.196 15.688 24.471 1.00 0.00 ATOM 442 CB LYS 55 31.748 15.212 24.611 1.00 0.00 ATOM 443 CG LYS 55 31.463 14.465 25.904 1.00 0.00 ATOM 444 CD LYS 55 30.021 13.988 25.958 1.00 0.00 ATOM 445 CE LYS 55 29.713 13.314 27.287 1.00 0.00 ATOM 446 NZ LYS 55 28.301 12.847 27.358 1.00 0.00 ATOM 447 O LYS 55 32.841 17.369 22.796 1.00 0.00 ATOM 448 C LYS 55 33.365 16.291 23.081 1.00 0.00 ATOM 449 N LYS 56 34.097 15.594 22.216 1.00 0.00 ATOM 450 CA LYS 56 34.324 16.076 20.853 1.00 0.00 ATOM 451 CB LYS 56 35.606 15.462 20.285 1.00 0.00 ATOM 452 CG LYS 56 36.873 15.895 21.006 1.00 0.00 ATOM 453 CD LYS 56 38.110 15.302 20.353 1.00 0.00 ATOM 454 CE LYS 56 39.377 15.733 21.075 1.00 0.00 ATOM 455 NZ LYS 56 40.584 15.056 20.528 1.00 0.00 ATOM 456 O LYS 56 32.610 16.507 19.203 1.00 0.00 ATOM 457 C LYS 56 33.099 15.690 19.982 1.00 0.00 ATOM 458 N GLU 57 32.624 14.457 20.127 1.00 0.00 ATOM 459 CA GLU 57 31.474 13.995 19.358 1.00 0.00 ATOM 460 CB GLU 57 31.887 12.795 18.504 1.00 0.00 ATOM 461 CG GLU 57 33.015 13.086 17.529 1.00 0.00 ATOM 462 CD GLU 57 32.584 13.987 16.389 1.00 0.00 ATOM 463 OE1 GLU 57 31.365 14.223 16.247 1.00 0.00 ATOM 464 OE2 GLU 57 33.463 14.460 15.638 1.00 0.00 ATOM 465 O GLU 57 30.596 13.549 21.572 1.00 0.00 ATOM 466 C GLU 57 30.362 13.571 20.363 1.00 0.00 ATOM 467 N ASN 58 29.179 13.243 19.851 1.00 0.00 ATOM 468 CA ASN 58 28.073 12.830 20.708 1.00 0.00 ATOM 469 CB ASN 58 26.767 12.798 19.914 1.00 0.00 ATOM 470 CG ASN 58 26.316 14.180 19.480 1.00 0.00 ATOM 471 ND2 ASN 58 25.494 14.233 18.437 1.00 0.00 ATOM 472 OD1 ASN 58 26.701 15.185 20.076 1.00 0.00 ATOM 473 O ASN 58 27.468 11.194 22.356 1.00 0.00 ATOM 474 C ASN 58 28.162 11.461 21.372 1.00 0.00 ATOM 475 N ASP 59 29.015 10.594 20.837 1.00 0.00 ATOM 476 CA ASP 59 29.191 9.226 21.399 1.00 0.00 ATOM 477 CB ASP 59 29.647 8.227 20.333 1.00 0.00 ATOM 478 CG ASP 59 31.034 8.533 19.803 1.00 0.00 ATOM 479 OD1 ASP 59 31.627 9.541 20.239 1.00 0.00 ATOM 480 OD2 ASP 59 31.526 7.764 18.951 1.00 0.00 ATOM 481 O ASP 59 30.314 8.077 23.181 1.00 0.00 ATOM 482 C ASP 59 30.192 9.125 22.546 1.00 0.00 ATOM 483 N HIS 60 30.906 10.215 22.808 1.00 0.00 ATOM 484 CA HIS 60 31.916 10.241 23.906 1.00 0.00 ATOM 485 CB HIS 60 32.804 11.485 23.856 1.00 0.00 ATOM 486 CG HIS 60 33.757 11.500 22.701 1.00 0.00 ATOM 487 CD2 HIS 60 33.851 12.225 21.441 1.00 0.00 ATOM 488 ND1 HIS 60 34.875 10.697 22.648 1.00 0.00 ATOM 489 CE1 HIS 60 35.530 10.933 21.497 1.00 0.00 ATOM 490 NE2 HIS 60 34.921 11.849 20.768 1.00 0.00 ATOM 491 O HIS 60 30.065 10.974 25.208 1.00 0.00 ATOM 492 C HIS 60 31.165 10.421 25.168 1.00 0.00 ATOM 493 N LYS 61 31.850 10.031 26.279 1.00 0.00 ATOM 494 CA LYS 61 31.278 10.162 27.612 1.00 0.00 ATOM 495 CB LYS 61 31.262 8.722 28.129 1.00 0.00 ATOM 496 CG LYS 61 30.363 7.788 27.335 1.00 0.00 ATOM 497 CD LYS 61 30.323 6.401 27.955 1.00 0.00 ATOM 498 CE LYS 61 29.423 5.467 27.164 1.00 0.00 ATOM 499 NZ LYS 61 29.397 4.096 27.743 1.00 0.00 ATOM 500 O LYS 61 33.274 11.350 28.212 1.00 0.00 ATOM 501 C LYS 61 32.089 11.129 28.467 1.00 0.00 ATOM 502 N LEU 62 31.451 11.704 29.482 1.00 0.00 ATOM 503 CA LEU 62 32.137 12.661 30.387 1.00 0.00 ATOM 504 CB LEU 62 31.560 13.678 30.944 1.00 0.00 ATOM 505 CG LEU 62 32.504 14.829 30.643 1.00 0.00 ATOM 506 CD1 LEU 62 32.572 15.110 29.149 1.00 0.00 ATOM 507 CD2 LEU 62 32.071 16.063 31.423 1.00 0.00 ATOM 508 O LEU 62 31.875 11.002 32.100 1.00 0.00 ATOM 509 C LEU 62 32.586 11.870 31.639 1.00 0.00 ATOM 510 N ASN 63 33.739 12.187 32.207 1.00 0.00 ATOM 511 CA ASN 63 34.242 11.503 33.439 1.00 0.00 ATOM 512 CB ASN 63 35.367 12.317 34.083 1.00 0.00 ATOM 513 CG ASN 63 36.644 12.293 33.267 1.00 0.00 ATOM 514 ND2 ASN 63 37.473 13.316 33.439 1.00 0.00 ATOM 515 OD1 ASN 63 36.880 11.366 32.492 1.00 0.00 ATOM 516 O ASN 63 32.175 12.086 34.555 1.00 0.00 ATOM 517 C ASN 63 33.118 11.296 34.491 1.00 0.00 ATOM 518 N LYS 64 33.234 10.246 35.297 1.00 0.00 ATOM 519 CA LYS 64 32.235 9.964 36.321 1.00 0.00 ATOM 520 CB LYS 64 32.880 9.085 37.385 1.00 0.00 ATOM 521 CG LYS 64 32.787 7.597 36.892 1.00 0.00 ATOM 522 CD LYS 64 33.488 6.663 37.797 1.00 0.00 ATOM 523 CE LYS 64 33.680 5.316 37.105 1.00 0.00 ATOM 524 NZ LYS 64 32.366 4.493 37.067 1.00 0.00 ATOM 525 O LYS 64 33.151 11.955 37.273 1.00 0.00 ATOM 526 C LYS 64 32.145 11.253 37.094 1.00 0.00 ATOM 527 N TYR 65 30.953 11.594 37.576 1.00 0.00 ATOM 528 CA TYR 65 30.644 12.815 38.347 1.00 0.00 ATOM 529 CB TYR 65 31.754 12.810 39.463 1.00 0.00 ATOM 530 CG TYR 65 31.795 11.587 40.349 1.00 0.00 ATOM 531 CD1 TYR 65 30.628 10.917 40.712 1.00 0.00 ATOM 532 CD2 TYR 65 33.001 11.126 40.858 1.00 0.00 ATOM 533 CE1 TYR 65 30.670 9.815 41.563 1.00 0.00 ATOM 534 CE2 TYR 65 33.055 10.034 41.707 1.00 0.00 ATOM 535 CZ TYR 65 31.892 9.381 42.055 1.00 0.00 ATOM 536 OH TYR 65 31.957 8.302 42.906 1.00 0.00 ATOM 537 O TYR 65 29.823 15.053 37.987 1.00 0.00 ATOM 538 C TYR 65 30.371 14.067 37.491 1.00 0.00 ATOM 539 N ALA 66 30.750 14.016 36.218 1.00 0.00 ATOM 540 CA ALA 66 30.539 15.148 35.322 1.00 0.00 ATOM 541 CB ALA 66 31.846 15.691 34.787 1.00 0.00 ATOM 542 O ALA 66 29.579 13.677 33.687 1.00 0.00 ATOM 543 C ALA 66 29.613 14.815 34.157 1.00 0.00 ATOM 544 N PHE 67 28.859 15.808 33.696 1.00 0.00 ATOM 545 CA PHE 67 27.955 15.601 32.602 1.00 0.00 ATOM 546 CB PHE 67 26.510 15.934 32.980 1.00 0.00 ATOM 547 CG PHE 67 25.934 15.026 34.031 1.00 0.00 ATOM 548 CD1 PHE 67 26.579 13.853 34.381 1.00 0.00 ATOM 549 CD2 PHE 67 24.747 15.347 34.667 1.00 0.00 ATOM 550 CE1 PHE 67 26.050 13.020 35.348 1.00 0.00 ATOM 551 CE2 PHE 67 24.218 14.512 35.633 1.00 0.00 ATOM 552 CZ PHE 67 24.864 13.352 35.974 1.00 0.00 ATOM 553 O PHE 67 28.828 17.644 31.752 1.00 0.00 ATOM 554 C PHE 67 28.377 16.526 31.502 1.00 0.00 ATOM 555 N LEU 68 28.234 16.067 30.263 1.00 0.00 ATOM 556 CA LEU 68 28.609 16.877 29.109 1.00 0.00 ATOM 557 CB LEU 68 29.697 17.059 28.505 1.00 0.00 ATOM 558 CG LEU 68 30.280 18.401 28.959 1.00 0.00 ATOM 559 CD1 LEU 68 31.776 18.443 28.726 1.00 0.00 ATOM 560 CD2 LEU 68 29.649 19.553 28.205 1.00 0.00 ATOM 561 O LEU 68 27.007 15.921 27.601 1.00 0.00 ATOM 562 C LEU 68 27.386 16.928 28.199 1.00 0.00 ATOM 563 N ARG 69 26.772 18.103 28.096 1.00 0.00 ATOM 564 CA ARG 69 25.615 18.257 27.266 1.00 0.00 ATOM 565 CB ARG 69 24.529 18.936 28.100 1.00 0.00 ATOM 566 CG ARG 69 24.003 18.086 29.245 1.00 0.00 ATOM 567 CD ARG 69 22.890 18.799 29.998 1.00 0.00 ATOM 568 NE ARG 69 22.297 17.951 31.030 1.00 0.00 ATOM 569 CZ ARG 69 21.322 18.339 31.844 1.00 0.00 ATOM 570 NH1 ARG 69 20.844 17.500 32.754 1.00 0.00 ATOM 571 NH2 ARG 69 20.825 19.565 31.749 1.00 0.00 ATOM 572 O ARG 69 26.339 20.299 26.278 1.00 0.00 ATOM 573 C ARG 69 25.975 19.136 26.104 1.00 0.00 ATOM 574 N LEU 70 25.876 18.585 24.899 1.00 0.00 ATOM 575 CA LEU 70 26.196 19.341 23.693 1.00 0.00 ATOM 576 CB LEU 70 27.006 18.513 22.694 1.00 0.00 ATOM 577 CG LEU 70 28.348 17.972 23.191 1.00 0.00 ATOM 578 CD1 LEU 70 29.004 17.103 22.129 1.00 0.00 ATOM 579 CD2 LEU 70 29.297 19.112 23.526 1.00 0.00 ATOM 580 O LEU 70 23.952 18.977 22.942 1.00 0.00 ATOM 581 C LEU 70 24.890 19.769 23.052 1.00 0.00 ATOM 582 N TYR 71 24.825 21.027 22.626 1.00 0.00 ATOM 583 CA TYR 71 23.620 21.548 21.991 1.00 0.00 ATOM 584 CB TYR 71 22.858 22.468 22.971 1.00 0.00 ATOM 585 CG TYR 71 22.303 21.706 24.155 1.00 0.00 ATOM 586 CD1 TYR 71 23.127 21.343 25.222 1.00 0.00 ATOM 587 CD2 TYR 71 20.967 21.314 24.193 1.00 0.00 ATOM 588 CE1 TYR 71 22.629 20.620 26.302 1.00 0.00 ATOM 589 CE2 TYR 71 20.456 20.591 25.274 1.00 0.00 ATOM 590 CZ TYR 71 21.298 20.251 26.318 1.00 0.00 ATOM 591 OH TYR 71 20.803 19.535 27.384 1.00 0.00 ATOM 592 O TYR 71 25.098 22.707 20.531 1.00 0.00 ATOM 593 C TYR 71 23.978 22.224 20.704 1.00 0.00 ATOM 594 N VAL 72 23.024 22.267 19.780 1.00 0.00 ATOM 595 CA VAL 72 23.253 22.899 18.486 1.00 0.00 ATOM 596 CB VAL 72 23.620 21.853 17.418 1.00 0.00 ATOM 597 CG1 VAL 72 24.923 21.158 17.779 1.00 0.00 ATOM 598 CG2 VAL 72 22.528 20.800 17.306 1.00 0.00 ATOM 599 O VAL 72 20.922 23.449 18.745 1.00 0.00 ATOM 600 C VAL 72 21.972 23.657 18.154 1.00 0.00 ATOM 601 N ASP 73 22.109 24.509 17.136 1.00 0.00 ATOM 602 CA ASP 73 20.987 25.129 16.448 1.00 0.00 ATOM 603 CB ASP 73 21.328 26.564 16.113 1.00 0.00 ATOM 604 CG ASP 73 20.249 27.339 15.401 1.00 0.00 ATOM 605 OD1 ASP 73 19.344 26.671 14.850 1.00 0.00 ATOM 606 OD2 ASP 73 20.291 28.597 15.355 1.00 0.00 ATOM 607 O ASP 73 21.796 24.158 14.334 1.00 0.00 ATOM 608 C ASP 73 20.841 24.296 15.165 1.00 0.00 ATOM 609 N GLN 74 19.627 23.761 14.935 1.00 0.00 ATOM 610 CA GLN 74 19.431 22.857 13.802 1.00 0.00 ATOM 611 CB GLN 74 17.973 22.400 13.722 1.00 0.00 ATOM 612 CG GLN 74 17.567 21.425 14.815 1.00 0.00 ATOM 613 CD GLN 74 16.086 21.099 14.785 1.00 0.00 ATOM 614 OE1 GLN 74 15.333 21.663 13.991 1.00 0.00 ATOM 615 NE2 GLN 74 15.665 20.185 15.652 1.00 0.00 ATOM 616 O GLN 74 20.443 22.869 11.625 1.00 0.00 ATOM 617 C GLN 74 19.738 23.472 12.429 1.00 0.00 ATOM 618 N ASP 75 19.207 24.671 12.132 1.00 0.00 ATOM 619 CA ASP 75 19.514 25.237 10.818 1.00 0.00 ATOM 620 CB ASP 75 18.572 26.399 10.495 1.00 0.00 ATOM 621 CG ASP 75 17.168 25.934 10.160 1.00 0.00 ATOM 622 OD1 ASP 75 16.982 24.721 9.936 1.00 0.00 ATOM 623 OD2 ASP 75 16.255 26.786 10.124 1.00 0.00 ATOM 624 O ASP 75 21.227 26.455 9.661 1.00 0.00 ATOM 625 C ASP 75 20.906 25.846 10.682 1.00 0.00 ATOM 626 N ASP 76 21.731 25.679 11.711 1.00 0.00 ATOM 627 CA ASP 76 23.053 26.207 11.680 1.00 0.00 ATOM 628 CB ASP 76 23.130 27.552 12.405 1.00 0.00 ATOM 629 CG ASP 76 22.223 28.599 11.791 1.00 0.00 ATOM 630 OD1 ASP 76 22.326 28.829 10.568 1.00 0.00 ATOM 631 OD2 ASP 76 21.409 29.189 12.532 1.00 0.00 ATOM 632 O ASP 76 25.274 25.899 12.538 1.00 0.00 ATOM 633 C ASP 76 24.193 25.376 12.262 1.00 0.00 ATOM 634 N ASN 77 23.952 24.082 12.446 1.00 0.00 ATOM 635 CA ASN 77 24.971 23.193 12.993 1.00 0.00 ATOM 636 CB ASN 77 24.462 21.751 12.975 1.00 0.00 ATOM 637 CG ASN 77 25.456 20.775 13.574 1.00 0.00 ATOM 638 ND2 ASN 77 25.956 19.861 12.749 1.00 0.00 ATOM 639 OD1 ASN 77 25.768 20.842 14.761 1.00 0.00 ATOM 640 O ASN 77 27.313 23.531 12.596 1.00 0.00 ATOM 641 C ASN 77 26.209 23.314 12.103 1.00 0.00 ATOM 642 N SER 78 25.987 23.271 10.790 1.00 0.00 ATOM 643 CA SER 78 27.068 23.350 9.814 1.00 0.00 ATOM 644 CB SER 78 26.514 23.253 8.391 1.00 0.00 ATOM 645 OG SER 78 25.704 24.374 8.081 1.00 0.00 ATOM 646 O SER 78 29.082 24.606 9.681 1.00 0.00 ATOM 647 C SER 78 27.880 24.616 9.916 1.00 0.00 ATOM 648 N LYS 79 27.214 25.711 10.260 1.00 0.00 ATOM 649 CA LYS 79 27.887 26.994 10.427 1.00 0.00 ATOM 650 CB LYS 79 27.300 28.014 9.422 1.00 0.00 ATOM 651 CG LYS 79 27.562 27.670 7.972 1.00 0.00 ATOM 652 CD LYS 79 29.042 27.712 7.648 1.00 0.00 ATOM 653 CE LYS 79 29.600 29.123 7.806 1.00 0.00 ATOM 654 NZ LYS 79 31.080 29.176 7.707 1.00 0.00 ATOM 655 O LYS 79 28.737 28.249 12.286 1.00 0.00 ATOM 656 C LYS 79 28.427 27.149 11.855 1.00 0.00 ATOM 657 N ASN 80 28.446 26.060 12.600 1.00 0.00 ATOM 658 CA ASN 80 29.063 26.021 13.940 1.00 0.00 ATOM 659 CB ASN 80 30.336 26.869 13.981 1.00 0.00 ATOM 660 CG ASN 80 31.466 26.265 13.169 1.00 0.00 ATOM 661 ND2 ASN 80 32.360 27.115 12.680 1.00 0.00 ATOM 662 OD1 ASN 80 31.531 25.050 12.987 1.00 0.00 ATOM 663 O ASN 80 28.893 26.729 16.215 1.00 0.00 ATOM 664 C ASN 80 28.292 26.515 15.161 1.00 0.00 ATOM 665 N GLU 81 26.974 26.655 15.064 1.00 0.00 ATOM 666 CA GLU 81 26.207 27.135 16.207 1.00 0.00 ATOM 667 CB GLU 81 24.839 27.650 15.756 1.00 0.00 ATOM 668 CG GLU 81 24.901 28.856 14.832 1.00 0.00 ATOM 669 CD GLU 81 25.231 30.138 15.570 1.00 0.00 ATOM 670 OE1 GLU 81 25.405 30.082 16.807 1.00 0.00 ATOM 671 OE2 GLU 81 25.314 31.198 14.915 1.00 0.00 ATOM 672 O GLU 81 24.942 25.443 17.343 1.00 0.00 ATOM 673 C GLU 81 26.014 26.044 17.254 1.00 0.00 ATOM 674 N ILE 82 27.050 25.790 18.046 1.00 0.00 ATOM 675 CA ILE 82 26.986 24.739 19.120 1.00 0.00 ATOM 676 CB ILE 82 28.038 23.639 18.885 1.00 0.00 ATOM 677 CG1 ILE 82 29.445 24.241 18.875 1.00 0.00 ATOM 678 CG2 ILE 82 27.798 22.951 17.550 1.00 0.00 ATOM 679 CD1 ILE 82 30.550 23.207 18.852 1.00 0.00 ATOM 680 O ILE 82 27.888 26.358 20.629 1.00 0.00 ATOM 681 C ILE 82 27.261 25.307 20.495 1.00 0.00 ATOM 682 N SER 83 26.793 24.611 21.525 1.00 0.00 ATOM 683 CA SER 83 26.999 25.059 22.897 1.00 0.00 ATOM 684 CB SER 83 25.701 25.678 23.421 1.00 0.00 ATOM 685 OG SER 83 24.668 24.712 23.489 1.00 0.00 ATOM 686 O SER 83 26.999 22.740 23.529 1.00 0.00 ATOM 687 C SER 83 27.345 23.886 23.818 1.00 0.00 ATOM 688 N SER 84 28.025 24.176 24.924 1.00 0.00 ATOM 689 CA SER 84 28.405 23.136 25.873 1.00 0.00 ATOM 690 CB SER 84 29.834 22.635 25.617 1.00 0.00 ATOM 691 OG SER 84 30.397 22.652 24.352 1.00 0.00 ATOM 692 O SER 84 28.168 24.635 27.729 1.00 0.00 ATOM 693 C SER 84 28.004 23.493 27.299 1.00 0.00 ATOM 694 N ILE 85 27.478 22.516 28.030 1.00 0.00 ATOM 695 CA ILE 85 27.054 22.745 29.420 1.00 0.00 ATOM 696 CB ILE 85 25.610 22.256 29.602 1.00 0.00 ATOM 697 CG1 ILE 85 24.709 23.181 28.771 1.00 0.00 ATOM 698 CG2 ILE 85 25.243 22.272 31.065 1.00 0.00 ATOM 699 CD1 ILE 85 23.319 22.726 28.653 1.00 0.00 ATOM 700 O ILE 85 27.853 20.573 30.054 1.00 0.00 ATOM 701 C ILE 85 27.825 21.776 30.312 1.00 0.00 ATOM 702 N GLU 86 28.466 22.307 31.348 1.00 0.00 ATOM 703 CA GLU 86 29.234 21.474 32.269 1.00 0.00 ATOM 704 CB GLU 86 30.042 22.333 33.217 1.00 0.00 ATOM 705 CG GLU 86 30.966 21.397 34.063 1.00 0.00 ATOM 706 CD GLU 86 31.738 22.211 35.113 1.00 0.00 ATOM 707 OE1 GLU 86 31.161 23.140 35.698 1.00 0.00 ATOM 708 OE2 GLU 86 32.908 21.859 35.413 1.00 0.00 ATOM 709 O GLU 86 27.126 21.457 33.395 1.00 0.00 ATOM 710 C GLU 86 28.219 20.912 33.239 1.00 0.00 ATOM 711 N VAL 87 28.578 19.814 33.898 1.00 0.00 ATOM 712 CA VAL 87 27.682 19.185 34.860 1.00 0.00 ATOM 713 CB VAL 87 28.079 17.697 35.197 1.00 0.00 ATOM 714 CG1 VAL 87 29.486 17.651 35.723 1.00 0.00 ATOM 715 CG2 VAL 87 27.160 17.128 36.276 1.00 0.00 ATOM 716 O VAL 87 28.349 20.453 36.784 1.00 0.00 ATOM 717 C VAL 87 27.425 20.103 36.051 1.00 0.00 ATOM 718 N LYS 88 26.167 20.486 36.237 1.00 0.00 ATOM 719 CA LYS 88 25.806 21.358 37.342 1.00 0.00 ATOM 720 CB LYS 88 24.339 21.778 37.234 1.00 0.00 ATOM 721 CG LYS 88 23.350 20.647 37.469 1.00 0.00 ATOM 722 CD LYS 88 21.916 21.125 37.313 1.00 0.00 ATOM 723 CE LYS 88 20.927 20.004 37.587 1.00 0.00 ATOM 724 NZ LYS 88 19.517 20.466 37.466 1.00 0.00 ATOM 725 O LYS 88 26.178 21.483 39.739 1.00 0.00 ATOM 726 C LYS 88 25.993 20.745 38.771 1.00 0.00 ATOM 727 N SER 89 25.939 19.421 38.875 1.00 0.00 ATOM 728 CA SER 89 26.104 18.756 40.162 1.00 0.00 ATOM 729 CB SER 89 25.520 17.347 40.031 1.00 0.00 ATOM 730 OG SER 89 26.280 16.563 39.128 1.00 0.00 ATOM 731 O SER 89 27.759 17.823 41.629 1.00 0.00 ATOM 732 C SER 89 27.532 18.546 40.656 1.00 0.00 ATOM 733 N TYR 90 28.491 19.177 39.988 1.00 0.00 ATOM 734 CA TYR 90 29.916 19.052 40.377 1.00 0.00 ATOM 735 CB TYR 90 30.827 19.960 39.573 1.00 0.00 ATOM 736 CG TYR 90 32.294 19.869 39.972 1.00 0.00 ATOM 737 CD1 TYR 90 33.098 18.790 39.688 1.00 0.00 ATOM 738 CD2 TYR 90 32.909 20.898 40.680 1.00 0.00 ATOM 739 CE1 TYR 90 34.425 18.697 40.048 1.00 0.00 ATOM 740 CE2 TYR 90 34.236 20.827 41.059 1.00 0.00 ATOM 741 CZ TYR 90 34.985 19.739 40.743 1.00 0.00 ATOM 742 OH TYR 90 36.297 19.685 41.127 1.00 0.00 ATOM 743 O TYR 90 31.024 18.677 42.468 1.00 0.00 ATOM 744 C TYR 90 30.263 19.395 41.818 1.00 0.00 ATOM 745 N GLU 91 29.703 20.492 42.318 1.00 0.00 ATOM 746 CA GLU 91 29.962 20.914 43.688 1.00 0.00 ATOM 747 CB GLU 91 29.484 22.408 43.764 1.00 0.00 ATOM 748 CG GLU 91 30.297 23.262 42.793 1.00 0.00 ATOM 749 CD GLU 91 29.823 23.292 41.347 1.00 0.00 ATOM 750 OE1 GLU 91 28.792 22.824 40.832 1.00 0.00 ATOM 751 OE2 GLU 91 30.581 23.929 40.524 1.00 0.00 ATOM 752 O GLU 91 29.814 19.732 45.771 1.00 0.00 ATOM 753 C GLU 91 29.271 20.006 44.701 1.00 0.00 ATOM 754 N GLU 92 28.074 19.539 44.359 1.00 0.00 ATOM 755 CA GLU 92 27.298 18.638 45.264 1.00 0.00 ATOM 756 CB GLU 92 25.842 18.493 44.669 1.00 0.00 ATOM 757 CG GLU 92 25.033 19.834 44.809 1.00 0.00 ATOM 758 CD GLU 92 23.851 19.738 43.880 1.00 0.00 ATOM 759 OE1 GLU 92 23.622 18.891 42.994 1.00 0.00 ATOM 760 OE2 GLU 92 22.893 20.575 44.105 1.00 0.00 ATOM 761 O GLU 92 27.895 16.738 46.601 1.00 0.00 ATOM 762 C GLU 92 27.936 17.271 45.492 1.00 0.00 ATOM 763 N ILE 93 28.525 16.708 44.442 1.00 0.00 ATOM 764 CA ILE 93 29.171 15.400 44.547 1.00 0.00 ATOM 765 CB ILE 93 29.918 15.059 43.244 1.00 0.00 ATOM 766 CG1 ILE 93 30.389 13.602 43.265 1.00 0.00 ATOM 767 CG2 ILE 93 31.135 15.956 43.077 1.00 0.00 ATOM 768 CD1 ILE 93 29.261 12.596 43.283 1.00 0.00 ATOM 769 O ILE 93 30.467 14.454 46.281 1.00 0.00 ATOM 770 C ILE 93 30.199 15.457 45.670 1.00 0.00 ATOM 771 N GLN 94 30.769 16.622 45.957 1.00 0.00 ATOM 772 CA GLN 94 31.758 16.735 47.034 1.00 0.00 ATOM 773 CB GLN 94 32.892 17.678 46.623 1.00 0.00 ATOM 774 CG GLN 94 33.651 17.232 45.385 1.00 0.00 ATOM 775 CD GLN 94 34.315 15.880 45.563 1.00 0.00 ATOM 776 OE1 GLN 94 34.999 15.641 46.557 1.00 0.00 ATOM 777 NE2 GLN 94 34.112 14.992 44.596 1.00 0.00 ATOM 778 O GLN 94 31.937 17.673 49.189 1.00 0.00 ATOM 779 C GLN 94 31.209 17.336 48.253 1.00 0.00 ATOM 780 N LYS 95 29.889 17.488 48.276 1.00 0.00 ATOM 781 CA LYS 95 29.215 18.072 49.430 1.00 0.00 ATOM 782 CB LYS 95 28.628 19.478 49.049 1.00 0.00 ATOM 783 CG LYS 95 29.593 20.571 48.717 1.00 0.00 ATOM 784 CD LYS 95 28.833 21.864 48.480 1.00 0.00 ATOM 785 CE LYS 95 29.780 23.047 48.370 1.00 0.00 ATOM 786 NZ LYS 95 30.769 22.851 47.277 1.00 0.00 ATOM 787 O LYS 95 27.539 16.395 49.513 1.00 0.00 ATOM 788 C LYS 95 28.467 16.981 50.057 1.00 0.00 ATOM 789 N ALA 96 28.911 16.799 51.273 1.00 0.00 ATOM 790 CA ALA 96 28.405 15.811 52.155 1.00 0.00 ATOM 791 CB ALA 96 28.657 16.211 53.601 1.00 0.00 ATOM 792 O ALA 96 26.398 14.410 52.134 1.00 0.00 ATOM 793 C ALA 96 26.892 15.590 52.147 1.00 0.00 ATOM 794 N ASP 97 26.210 16.651 52.165 1.00 0.00 ATOM 795 CA ASP 97 24.756 16.564 52.227 1.00 0.00 ATOM 796 CB ASP 97 24.144 17.770 52.942 1.00 0.00 ATOM 797 CG ASP 97 24.340 17.720 54.443 1.00 0.00 ATOM 798 OD1 ASP 97 24.698 16.639 54.959 1.00 0.00 ATOM 799 OD2 ASP 97 24.138 18.759 55.105 1.00 0.00 ATOM 800 O ASP 97 22.865 16.304 50.816 1.00 0.00 ATOM 801 C ASP 97 24.069 16.543 50.904 1.00 0.00 ATOM 802 N LEU 98 24.833 16.794 49.844 1.00 0.00 ATOM 803 CA LEU 98 24.278 16.798 48.497 1.00 0.00 ATOM 804 CB LEU 98 24.572 18.127 47.797 1.00 0.00 ATOM 805 CG LEU 98 24.114 19.392 48.524 1.00 0.00 ATOM 806 CD1 LEU 98 24.561 20.637 47.773 1.00 0.00 ATOM 807 CD2 LEU 98 22.597 19.425 48.638 1.00 0.00 ATOM 808 O LEU 98 24.069 15.599 46.456 1.00 0.00 ATOM 809 C LEU 98 24.701 15.729 47.508 1.00 0.00 ATOM 810 N PRO 99 25.776 15.005 47.831 1.00 0.00 ATOM 811 CA PRO 99 26.346 13.997 46.946 1.00 0.00 ATOM 812 CB PRO 99 27.293 13.264 47.892 1.00 0.00 ATOM 813 CG PRO 99 26.592 13.329 49.235 1.00 0.00 ATOM 814 CD PRO 99 26.035 14.719 49.257 1.00 0.00 ATOM 815 O PRO 99 25.535 12.281 45.407 1.00 0.00 ATOM 816 C PRO 99 25.445 12.842 46.496 1.00 0.00 ATOM 817 N GLU 100 24.528 12.384 47.308 1.00 0.00 ATOM 818 CA GLU 100 23.703 11.238 46.933 1.00 0.00 ATOM 819 CB GLU 100 22.860 10.774 48.124 1.00 0.00 ATOM 820 CG GLU 100 23.664 10.123 49.237 1.00 0.00 ATOM 821 CD GLU 100 22.816 9.788 50.448 1.00 0.00 ATOM 822 OE1 GLU 100 21.614 10.129 50.445 1.00 0.00 ATOM 823 OE2 GLU 100 23.352 9.183 51.401 1.00 0.00 ATOM 824 O GLU 100 22.550 10.705 44.897 1.00 0.00 ATOM 825 C GLU 100 22.765 11.547 45.772 1.00 0.00 ATOM 826 N LYS 101 22.208 12.754 45.763 1.00 0.00 ATOM 827 CA LYS 101 21.279 13.171 44.682 1.00 0.00 ATOM 828 CB LYS 101 20.605 14.501 45.042 1.00 0.00 ATOM 829 CG LYS 101 19.122 14.395 45.397 1.00 0.00 ATOM 830 CD LYS 101 18.845 14.189 46.912 1.00 0.00 ATOM 831 CE LYS 101 19.358 12.849 47.476 1.00 0.00 ATOM 832 NZ LYS 101 18.995 12.641 48.911 1.00 0.00 ATOM 833 O LYS 101 21.550 12.875 42.323 1.00 0.00 ATOM 834 C LYS 101 22.062 13.231 43.385 1.00 0.00 ATOM 835 N VAL 102 23.309 13.684 43.469 1.00 0.00 ATOM 836 CA VAL 102 24.156 13.786 42.286 1.00 0.00 ATOM 837 CB VAL 102 25.481 14.523 42.556 1.00 0.00 ATOM 838 CG1 VAL 102 26.415 14.398 41.361 1.00 0.00 ATOM 839 CG2 VAL 102 25.227 16.000 42.815 1.00 0.00 ATOM 840 O VAL 102 24.545 12.194 40.534 1.00 0.00 ATOM 841 C VAL 102 24.524 12.408 41.748 1.00 0.00 ATOM 842 N LYS 103 24.814 11.476 42.650 1.00 0.00 ATOM 843 CA LYS 103 25.170 10.145 42.247 1.00 0.00 ATOM 844 CB LYS 103 25.529 9.264 43.445 1.00 0.00 ATOM 845 CG LYS 103 26.847 9.625 44.108 1.00 0.00 ATOM 846 CD LYS 103 27.142 8.710 45.286 1.00 0.00 ATOM 847 CE LYS 103 28.448 9.087 45.965 1.00 0.00 ATOM 848 NZ LYS 103 28.733 8.220 47.142 1.00 0.00 ATOM 849 O LYS 103 24.127 8.860 40.508 1.00 0.00 ATOM 850 C LYS 103 23.972 9.528 41.532 1.00 0.00 ATOM 851 N ASP 104 22.778 9.753 42.070 1.00 0.00 ATOM 852 CA ASP 104 21.544 9.210 41.465 1.00 0.00 ATOM 853 CB ASP 104 20.301 9.528 42.297 1.00 0.00 ATOM 854 CG ASP 104 20.220 8.701 43.565 1.00 0.00 ATOM 855 OD1 ASP 104 20.987 7.722 43.687 1.00 0.00 ATOM 856 OD2 ASP 104 19.389 9.030 44.438 1.00 0.00 ATOM 857 O ASP 104 21.107 9.134 39.096 1.00 0.00 ATOM 858 C ASP 104 21.399 9.836 40.066 1.00 0.00 ATOM 859 N LYS 105 21.603 11.146 39.972 1.00 0.00 ATOM 860 CA LYS 105 21.493 11.838 38.693 1.00 0.00 ATOM 861 CB LYS 105 21.749 13.335 38.878 1.00 0.00 ATOM 862 CG LYS 105 20.666 14.059 39.661 1.00 0.00 ATOM 863 CD LYS 105 20.982 15.539 39.803 1.00 0.00 ATOM 864 CE LYS 105 19.911 16.257 40.607 1.00 0.00 ATOM 865 NZ LYS 105 20.225 17.702 40.784 1.00 0.00 ATOM 866 O LYS 105 22.159 11.009 36.525 1.00 0.00 ATOM 867 C LYS 105 22.500 11.237 37.686 1.00 0.00 ATOM 868 N PHE 106 23.724 10.987 38.140 1.00 0.00 ATOM 869 CA PHE 106 24.750 10.417 37.274 1.00 0.00 ATOM 870 CB PHE 106 26.054 10.268 38.059 1.00 0.00 ATOM 871 CG PHE 106 27.172 9.655 37.266 1.00 0.00 ATOM 872 CD1 PHE 106 27.899 10.414 36.365 1.00 0.00 ATOM 873 CD2 PHE 106 27.498 8.318 37.421 1.00 0.00 ATOM 874 CE1 PHE 106 28.929 9.849 35.636 1.00 0.00 ATOM 875 CE2 PHE 106 28.527 7.754 36.690 1.00 0.00 ATOM 876 CZ PHE 106 29.241 8.513 35.802 1.00 0.00 ATOM 877 O PHE 106 24.487 8.677 35.586 1.00 0.00 ATOM 878 C PHE 106 24.346 9.010 36.774 1.00 0.00 ATOM 879 N THR 107 23.825 8.179 37.670 1.00 0.00 ATOM 880 CA THR 107 23.424 6.835 37.254 1.00 0.00 ATOM 881 CB THR 107 23.001 5.972 38.458 1.00 0.00 ATOM 882 CG2 THR 107 22.518 4.608 37.991 1.00 0.00 ATOM 883 OG1 THR 107 24.118 5.793 39.337 1.00 0.00 ATOM 884 O THR 107 22.212 6.128 35.308 1.00 0.00 ATOM 885 C THR 107 22.259 6.894 36.272 1.00 0.00 ATOM 886 N ILE 108 21.319 7.801 36.519 1.00 0.00 ATOM 887 CA ILE 108 20.148 7.951 35.637 1.00 0.00 ATOM 888 CB ILE 108 19.140 8.933 36.264 1.00 0.00 ATOM 889 CG1 ILE 108 18.578 8.361 37.567 1.00 0.00 ATOM 890 CG2 ILE 108 17.983 9.188 35.311 1.00 0.00 ATOM 891 CD1 ILE 108 17.786 9.362 38.381 1.00 0.00 ATOM 892 O ILE 108 19.906 8.041 33.276 1.00 0.00 ATOM 893 C ILE 108 20.501 8.447 34.276 1.00 0.00 ATOM 894 N LYS 109 21.484 9.339 34.216 1.00 0.00 ATOM 895 CA LYS 109 21.923 9.896 32.941 1.00 0.00 ATOM 896 CB LYS 109 22.210 11.370 32.959 1.00 0.00 ATOM 897 CG LYS 109 21.764 12.119 31.696 1.00 0.00 ATOM 898 CD LYS 109 22.212 11.464 30.384 1.00 0.00 ATOM 899 CE LYS 109 21.693 12.230 29.172 1.00 0.00 ATOM 900 NZ LYS 109 22.241 13.618 29.120 1.00 0.00 ATOM 901 O LYS 109 23.463 8.837 31.422 1.00 0.00 ATOM 902 C LYS 109 22.377 8.782 32.001 1.00 0.00 TER END