PFRMAT TS TARGET TR432 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 METHOD METHOD For this REFINEMENT model, we did a standard prediction for the METHOD residues included in the model, then tried optimizing both from the METHOD predicted model and from the provided starting point. Since we were METHOD directed to focus on Y85-G92, I also tried cutting and pasting that METHOD region from other models (particularly server models). This provided METHOD slightly different starting points and a bit more flexibility in METHOD rebuilding that loop. METHOD METHOD My tools are not optimized for fine-grain placement of atoms, so I'm METHOD not sure that I can make any improvement over a 1.34 Angstrom CA_RMSD METHOD model. METHOD METHOD All the models submitted have a disulfide constraint: C79-C101. The METHOD CYS residues seemed too close not to be interacting, though with this METHOD being part of a cytosolic human protein a disulfide somehow seems METHOD wrong. Since the cys are on the edge of the model, so I wonder if a METHOD metal-binding site in the protein has somehow been broken by taking METHOD out just this fragment. A disulfide here could correct for the METHOD missing metal. METHOD METHOD Model METHOD METHOD METHOD 1 TR432.try7-opt3.pdb # < chimera-try6-try5 METHOD # best undertaker score (with try3,try4,try7.costfcn) METHOD chimera-try6-try5: METHOD mostly from TR432.try6-opt3.gromacs0.repack-nonPC.pdb METHOD I111-R130 is from try5-opt3 METHOD chimera-try6-try5 was an attempt to use the tighter packing of METHOD the C-terminal helix in try5 with the more standard loop in try6. METHOD METHOD METHOD 2 TR432.try7-opt3.gromacs0.repack-nonPC.pdb # < chimera-try6-try5 METHOD # best rosetta energy METHOD Rosetta and undertaker disagree somewhat on clashes, so METHOD running an undertaker-produced model through gromacs energy METHOD minimization to relieve tiny clashes, then repacking the METHOD sidechains (except PRO and CYS) with Rosetta produces the best METHOD Rosetta energy scores, even though few atoms move much. METHOD METHOD 3 TR432.try6-opt3.pdb # < chimera-try4-MULTICOM METHOD chimera-try4-MULTICOM: METHOD mostly TR432.try4-opt3.repack-nonPC.pdb METHOD A82-L95 from MULTICOM-REFINE_TS2 METHOD This chimera was an attempt to get a slightly different loop METHOD as a starting point for further optimization. Sometimes doing METHOD this sort of cut-and-paste introduces breaks into the backbone METHOD and has slightly different shape to the fragments, kicking the METHOD optimization out of a local optimum and allowing it to find a METHOD different one. METHOD METHOD 4 TR432.try5-opt3.pdb # < try3-opt3 < try2-opt3.gromacs0.repack-nonPC < chimera-init-try1 METHOD chimera-init-try1: METHOD mostly TR432.pdb METHOD Y85-R97 from try1-opt3 METHOD try1-opt3 was the automatically generated prediction for TR432 METHOD It had a rather different idea of what the interesting loop should be. METHOD Initially I favored this model, but it looks like the loop now METHOD blocks access to the putative active site: Y43,N81,Y85,N86, so METHOD I downgraded the model. The try5 run had some extra METHOD constraints to try to pull the C-terminal helix in tighter, METHOD which were fairly successful, so I copied that portion of the METHOD model into chimera-try6-try5 to make the final model. METHOD METHOD 5 TR432.try4-opt3.repack-nonPC.pdb # < TR432 METHOD # optimized directly from provided model, using just undertaker. METHOD # helix constraints taken from the initial model and from try1-opt3 METHOD # disulfide C79-C101 METHOD REMARK 6 REMARK 6 TR432 model 1 Thu Jul 10 18:42:30 2008 MODEL 1 PARENT N/A ATOM 1 N SER 1 29.824 8.140 13.560 1.00 0.00 ATOM 2 CA SER 1 29.205 7.992 12.221 1.00 0.00 ATOM 3 CB SER 1 28.056 6.973 12.282 1.00 0.00 ATOM 4 OG SER 1 26.983 7.495 13.048 1.00 0.00 ATOM 5 O SER 1 28.581 10.347 12.349 1.00 0.00 ATOM 6 C SER 1 28.674 9.320 11.642 1.00 0.00 ATOM 7 N MET 2 28.408 9.327 10.327 1.00 0.00 ATOM 8 CA MET 2 27.888 10.503 9.664 1.00 0.00 ATOM 9 CB MET 2 27.835 10.275 8.154 1.00 0.00 ATOM 10 CG MET 2 29.199 10.142 7.490 1.00 0.00 ATOM 11 SD MET 2 30.230 11.603 7.721 1.00 0.00 ATOM 12 CE MET 2 29.334 12.807 6.744 1.00 0.00 ATOM 13 O MET 2 26.223 12.135 10.258 1.00 0.00 ATOM 14 C MET 2 26.529 10.937 10.210 1.00 0.00 ATOM 15 N GLN 3 25.760 9.958 10.623 1.00 0.00 ATOM 16 CA GLN 3 24.399 10.223 11.152 1.00 0.00 ATOM 17 CB GLN 3 23.663 8.904 11.402 1.00 0.00 ATOM 18 CG GLN 3 23.257 8.168 10.137 1.00 0.00 ATOM 19 CD GLN 3 22.647 6.810 10.429 1.00 0.00 ATOM 20 OE1 GLN 3 22.607 6.365 11.581 1.00 0.00 ATOM 21 NE2 GLN 3 22.172 6.140 9.385 1.00 0.00 ATOM 22 O GLN 3 23.809 12.037 12.608 1.00 0.00 ATOM 23 C GLN 3 24.504 11.035 12.439 1.00 0.00 ATOM 24 N GLU 4 25.375 10.602 13.346 1.00 0.00 ATOM 25 CA GLU 4 25.559 11.301 14.618 1.00 0.00 ATOM 26 CB GLU 4 26.527 10.469 15.453 1.00 0.00 ATOM 27 CG GLU 4 25.911 9.106 15.786 1.00 0.00 ATOM 28 CD GLU 4 26.821 8.286 16.692 1.00 0.00 ATOM 29 OE1 GLU 4 27.992 8.125 16.280 1.00 0.00 ATOM 30 OE2 GLU 4 26.305 7.791 17.716 1.00 0.00 ATOM 31 O GLU 4 25.751 13.653 15.016 1.00 0.00 ATOM 32 C GLU 4 26.134 12.689 14.358 1.00 0.00 ATOM 33 N GLU 5 27.048 12.792 13.399 1.00 0.00 ATOM 34 CA GLU 5 27.644 14.083 13.063 1.00 0.00 ATOM 35 CB GLU 5 28.552 14.022 11.893 1.00 0.00 ATOM 36 CG GLU 5 29.890 13.362 12.204 1.00 0.00 ATOM 37 CD GLU 5 31.019 13.785 11.247 1.00 0.00 ATOM 38 OE1 GLU 5 30.776 14.426 10.183 1.00 0.00 ATOM 39 OE2 GLU 5 32.183 13.458 11.571 1.00 0.00 ATOM 40 O GLU 5 26.474 16.194 13.012 1.00 0.00 ATOM 41 C GLU 5 26.536 15.043 12.577 1.00 0.00 ATOM 42 N ASP 6 25.671 14.561 11.689 1.00 0.00 ATOM 43 CA ASP 6 24.580 15.381 11.175 1.00 0.00 ATOM 44 CB ASP 6 23.844 14.606 10.079 1.00 0.00 ATOM 45 CG ASP 6 24.598 14.518 8.757 1.00 0.00 ATOM 46 OD1 ASP 6 25.561 15.231 8.595 1.00 0.00 ATOM 47 OD2 ASP 6 24.305 13.636 7.988 1.00 0.00 ATOM 48 O ASP 6 23.171 16.885 12.391 1.00 0.00 ATOM 49 C ASP 6 23.634 15.747 12.306 1.00 0.00 ATOM 50 N THR 7 23.329 14.768 13.174 1.00 0.00 ATOM 51 CA THR 7 22.427 14.992 14.297 1.00 0.00 ATOM 52 CB THR 7 22.232 13.682 15.083 1.00 0.00 ATOM 53 CG2 THR 7 21.331 13.911 16.287 1.00 0.00 ATOM 54 OG1 THR 7 21.640 12.693 14.228 1.00 0.00 ATOM 55 O THR 7 22.259 16.990 15.617 1.00 0.00 ATOM 56 C THR 7 22.978 16.067 15.228 1.00 0.00 ATOM 57 N PHE 8 24.253 15.948 15.584 1.00 0.00 ATOM 58 CA PHE 8 24.891 16.926 16.474 1.00 0.00 ATOM 59 CB PHE 8 26.563 16.649 16.279 1.00 0.00 ATOM 60 CG PHE 8 27.528 17.082 17.364 1.00 0.00 ATOM 61 CD1 PHE 8 27.915 16.200 18.363 1.00 0.00 ATOM 62 CD2 PHE 8 27.956 18.415 17.419 1.00 0.00 ATOM 63 CE1 PHE 8 28.736 16.655 19.472 1.00 0.00 ATOM 64 CE2 PHE 8 28.743 18.887 18.479 1.00 0.00 ATOM 65 CZ PHE 8 29.130 17.983 19.519 1.00 0.00 ATOM 66 O PHE 8 24.747 19.325 16.527 1.00 0.00 ATOM 67 C PHE 8 24.986 18.319 15.857 1.00 0.00 ATOM 68 N ARG 9 25.379 18.366 14.574 1.00 0.00 ATOM 69 CA ARG 9 25.484 19.635 13.862 1.00 0.00 ATOM 70 CB ARG 9 25.980 19.414 12.428 1.00 0.00 ATOM 71 CG ARG 9 27.477 19.190 12.311 1.00 0.00 ATOM 72 CD ARG 9 27.932 19.225 10.855 1.00 0.00 ATOM 73 NE ARG 9 27.580 18.012 10.119 1.00 0.00 ATOM 74 CZ ARG 9 28.277 16.879 10.168 1.00 0.00 ATOM 75 NH1 ARG 9 29.370 16.802 10.918 1.00 0.00 ATOM 76 NH2 ARG 9 27.886 15.825 9.465 1.00 0.00 ATOM 77 O ARG 9 24.009 21.517 14.044 1.00 0.00 ATOM 78 C ARG 9 24.116 20.308 13.841 1.00 0.00 ATOM 79 N GLU 10 23.071 19.522 13.599 1.00 0.00 ATOM 80 CA GLU 10 21.719 20.058 13.560 1.00 0.00 ATOM 81 CB GLU 10 20.787 18.896 13.073 1.00 0.00 ATOM 82 CG GLU 10 20.869 18.628 11.549 1.00 0.00 ATOM 83 CD GLU 10 19.932 17.543 11.054 1.00 0.00 ATOM 84 OE1 GLU 10 19.203 16.870 11.764 1.00 0.00 ATOM 85 OE2 GLU 10 20.012 17.365 9.760 1.00 0.00 ATOM 86 O GLU 10 20.679 21.691 14.978 1.00 0.00 ATOM 87 C GLU 10 21.329 20.645 14.912 1.00 0.00 ATOM 88 N LEU 11 21.728 19.969 15.987 1.00 0.00 ATOM 89 CA LEU 11 21.429 20.432 17.339 1.00 0.00 ATOM 90 CB LEU 11 21.904 19.415 18.379 1.00 0.00 ATOM 91 CG LEU 11 21.106 18.114 18.496 1.00 0.00 ATOM 92 CD1 LEU 11 21.829 17.140 19.416 1.00 0.00 ATOM 93 CD2 LEU 11 19.713 18.422 19.028 1.00 0.00 ATOM 94 O LEU 11 21.488 22.680 18.175 1.00 0.00 ATOM 95 C LEU 11 22.098 21.776 17.601 1.00 0.00 ATOM 96 N ARG 12 23.352 21.900 17.178 1.00 0.00 ATOM 97 CA ARG 12 24.115 23.132 17.362 1.00 0.00 ATOM 98 CB ARG 12 25.561 22.940 16.895 1.00 0.00 ATOM 99 CG ARG 12 26.370 21.919 17.693 1.00 0.00 ATOM 100 CD ARG 12 26.579 22.361 19.137 1.00 0.00 ATOM 101 NE ARG 12 25.543 21.858 20.035 1.00 0.00 ATOM 102 CZ ARG 12 25.439 20.588 20.421 1.00 0.00 ATOM 103 NH1 ARG 12 26.311 19.685 19.985 1.00 0.00 ATOM 104 NH2 ARG 12 24.472 20.222 21.251 1.00 0.00 ATOM 105 O ARG 12 23.492 25.434 17.098 1.00 0.00 ATOM 106 C ARG 12 23.499 24.305 16.606 1.00 0.00 ATOM 107 N ILE 13 22.983 24.036 15.411 1.00 0.00 ATOM 108 CA ILE 13 22.357 25.090 14.588 1.00 0.00 ATOM 109 CB ILE 13 21.792 24.517 13.276 1.00 0.00 ATOM 110 CG1 ILE 13 22.929 24.047 12.365 1.00 0.00 ATOM 111 CG2 ILE 13 20.932 25.553 12.569 1.00 0.00 ATOM 112 CD1 ILE 13 22.463 23.230 11.181 1.00 0.00 ATOM 113 O ILE 13 21.145 26.980 15.445 1.00 0.00 ATOM 114 C ILE 13 21.228 25.753 15.380 1.00 0.00 ATOM 115 N PHE 14 20.363 24.939 15.979 1.00 0.00 ATOM 116 CA PHE 14 19.251 25.463 16.762 1.00 0.00 ATOM 117 CB PHE 14 18.415 24.418 17.399 1.00 0.00 ATOM 118 CG PHE 14 17.657 23.595 16.391 1.00 0.00 ATOM 119 CD1 PHE 14 17.189 24.170 15.209 1.00 0.00 ATOM 120 CD2 PHE 14 17.410 22.245 16.621 1.00 0.00 ATOM 121 CE1 PHE 14 16.488 23.415 14.274 1.00 0.00 ATOM 122 CE2 PHE 14 16.709 21.482 15.692 1.00 0.00 ATOM 123 CZ PHE 14 16.250 22.069 14.518 1.00 0.00 ATOM 124 O PHE 14 19.278 27.367 18.233 1.00 0.00 ATOM 125 C PHE 14 19.739 26.253 17.984 1.00 0.00 ATOM 126 N LEU 15 20.667 25.672 18.738 1.00 0.00 ATOM 127 CA LEU 15 21.203 26.334 19.920 1.00 0.00 ATOM 128 CB LEU 15 22.210 25.403 20.610 1.00 0.00 ATOM 129 CG LEU 15 21.602 24.159 21.270 1.00 0.00 ATOM 130 CD1 LEU 15 22.708 23.232 21.753 1.00 0.00 ATOM 131 CD2 LEU 15 20.710 24.581 22.428 1.00 0.00 ATOM 132 O LEU 15 21.775 28.626 20.307 1.00 0.00 ATOM 133 C LEU 15 21.887 27.654 19.565 1.00 0.00 ATOM 134 N ARG 16 22.617 27.684 18.450 1.00 0.00 ATOM 135 CA ARG 16 23.240 28.922 18.003 1.00 0.00 ATOM 136 CB ARG 16 24.092 28.676 16.766 1.00 0.00 ATOM 137 CG ARG 16 25.376 27.967 17.173 1.00 0.00 ATOM 138 CD ARG 16 26.206 27.612 15.940 1.00 0.00 ATOM 139 NE ARG 16 26.738 28.816 15.279 1.00 0.00 ATOM 140 CZ ARG 16 27.324 28.827 14.092 1.00 0.00 ATOM 141 NH1 ARG 16 27.479 27.710 13.375 1.00 0.00 ATOM 142 NH2 ARG 16 27.797 29.950 13.597 1.00 0.00 ATOM 143 O ARG 16 22.390 31.172 18.024 1.00 0.00 ATOM 144 C ARG 16 22.193 30.004 17.711 1.00 0.00 ATOM 145 N ASN 17 21.073 29.602 17.119 1.00 0.00 ATOM 146 CA ASN 17 20.002 30.553 16.843 1.00 0.00 ATOM 147 CB ASN 17 18.863 29.882 16.099 1.00 0.00 ATOM 148 CG ASN 17 19.163 29.608 14.652 1.00 0.00 ATOM 149 ND2 ASN 17 18.351 28.769 14.056 1.00 0.00 ATOM 150 OD1 ASN 17 20.071 30.202 14.061 1.00 0.00 ATOM 151 O ASN 17 19.338 32.417 18.240 1.00 0.00 ATOM 152 C ASN 17 19.488 31.198 18.165 1.00 0.00 ATOM 153 N VAL 18 19.231 30.375 19.176 1.00 0.00 ATOM 154 CA VAL 18 18.748 30.880 20.457 1.00 0.00 ATOM 155 CB VAL 18 18.566 29.809 21.528 1.00 0.00 ATOM 156 CG1 VAL 18 17.929 30.382 22.804 1.00 0.00 ATOM 157 CG2 VAL 18 17.739 28.668 20.981 1.00 0.00 ATOM 158 O VAL 18 19.427 32.931 21.512 1.00 0.00 ATOM 159 C VAL 18 19.780 31.843 21.052 1.00 0.00 ATOM 160 N THR 19 21.088 31.449 21.028 1.00 0.00 ATOM 161 CA THR 19 22.165 32.291 21.559 1.00 0.00 ATOM 162 CB THR 19 23.554 31.732 21.332 1.00 0.00 ATOM 163 CG2 THR 19 24.541 32.408 22.283 1.00 0.00 ATOM 164 OG1 THR 19 23.535 30.322 21.588 1.00 0.00 ATOM 165 O THR 19 22.541 34.651 21.342 1.00 0.00 ATOM 166 C THR 19 22.321 33.585 20.766 1.00 0.00 ATOM 167 N HIS 20 22.205 33.490 19.445 1.00 0.00 ATOM 168 CA HIS 20 22.332 34.652 18.602 1.00 0.00 ATOM 169 CB HIS 20 22.258 34.238 17.129 1.00 0.00 ATOM 170 CG HIS 20 23.502 33.538 16.702 1.00 0.00 ATOM 171 CD2 HIS 20 24.704 33.369 17.323 1.00 0.00 ATOM 172 ND1 HIS 20 23.573 32.847 15.500 1.00 0.00 ATOM 173 CE1 HIS 20 24.816 32.389 15.382 1.00 0.00 ATOM 174 NE2 HIS 20 25.512 32.646 16.473 1.00 0.00 ATOM 175 O HIS 20 21.543 36.899 18.835 1.00 0.00 ATOM 176 C HIS 20 21.256 35.702 18.797 1.00 0.00 ATOM 177 N ARG 21 20.010 35.255 18.922 1.00 0.00 ATOM 178 CA ARG 21 18.894 36.174 19.117 1.00 0.00 ATOM 179 CB ARG 21 17.517 35.528 19.089 1.00 0.00 ATOM 180 CG ARG 21 17.047 35.085 17.713 1.00 0.00 ATOM 181 CD ARG 21 15.735 34.388 17.709 1.00 0.00 ATOM 182 NE ARG 21 15.292 33.945 16.396 1.00 0.00 ATOM 183 CZ ARG 21 14.180 33.220 16.169 1.00 0.00 ATOM 184 NH1 ARG 21 13.415 32.822 17.161 1.00 0.00 ATOM 185 NH2 ARG 21 13.888 32.899 14.921 1.00 0.00 ATOM 186 O ARG 21 18.856 38.154 20.439 1.00 0.00 ATOM 187 C ARG 21 19.063 36.944 20.417 1.00 0.00 ATOM 188 N LEU 22 19.626 36.278 21.416 1.00 0.00 ATOM 189 CA LEU 22 19.862 36.925 22.724 1.00 0.00 ATOM 190 CB LEU 22 20.255 35.904 23.759 1.00 0.00 ATOM 191 CG LEU 22 19.203 34.807 23.972 1.00 0.00 ATOM 192 CD1 LEU 22 19.742 33.701 24.877 1.00 0.00 ATOM 193 CD2 LEU 22 17.961 35.426 24.560 1.00 0.00 ATOM 194 O LEU 22 20.742 39.141 22.993 1.00 0.00 ATOM 195 C LEU 22 20.953 37.986 22.621 1.00 0.00 ATOM 196 N ALA 23 22.118 37.592 22.116 1.00 0.00 ATOM 197 CA ALA 23 23.209 38.513 21.974 1.00 0.00 ATOM 198 CB ALA 23 24.423 37.764 21.409 1.00 0.00 ATOM 199 O ALA 23 23.171 40.829 21.344 1.00 0.00 ATOM 200 C ALA 23 22.877 39.674 21.039 1.00 0.00 ATOM 201 N ILE 24 22.263 39.364 19.901 1.00 0.00 ATOM 202 CA ILE 24 21.896 40.393 18.935 1.00 0.00 ATOM 203 CB ILE 24 21.440 39.807 17.654 1.00 0.00 ATOM 204 CG1 ILE 24 22.550 38.980 17.013 1.00 0.00 ATOM 205 CG2 ILE 24 20.743 40.781 16.726 1.00 0.00 ATOM 206 CD1 ILE 24 22.133 38.090 15.817 1.00 0.00 ATOM 207 O ILE 24 21.020 42.489 19.539 1.00 0.00 ATOM 208 C ILE 24 20.835 41.293 19.549 1.00 0.00 ATOM 209 N ASP 25 19.737 40.767 20.052 1.00 0.00 ATOM 210 CA ASP 25 18.671 41.670 20.485 1.00 0.00 ATOM 211 CB ASP 25 17.390 40.895 20.805 1.00 0.00 ATOM 212 CG ASP 25 16.634 40.398 19.580 1.00 0.00 ATOM 213 OD1 ASP 25 16.976 40.800 18.492 1.00 0.00 ATOM 214 OD2 ASP 25 15.830 39.509 19.723 1.00 0.00 ATOM 215 O ASP 25 19.986 42.125 22.516 1.00 0.00 ATOM 216 C ASP 25 19.103 42.479 21.729 1.00 0.00 ATOM 217 N LYS 26 18.738 43.758 21.648 1.00 0.00 ATOM 218 CA LYS 26 19.158 44.815 22.590 1.00 0.00 ATOM 219 CB LYS 26 18.547 46.159 22.194 1.00 0.00 ATOM 220 CG LYS 26 19.126 46.763 20.922 1.00 0.00 ATOM 221 CD LYS 26 18.473 48.097 20.596 1.00 0.00 ATOM 222 CE LYS 26 19.036 48.693 19.314 1.00 0.00 ATOM 223 NZ LYS 26 18.383 49.983 18.965 1.00 0.00 ATOM 224 O LYS 26 19.488 44.738 24.967 1.00 0.00 ATOM 225 C LYS 26 18.751 44.488 24.029 1.00 0.00 ATOM 226 N ARG 27 17.610 43.815 24.151 1.00 0.00 ATOM 227 CA ARG 27 17.069 43.469 25.473 1.00 0.00 ATOM 228 CB ARG 27 15.718 42.793 25.342 1.00 0.00 ATOM 229 CG ARG 27 15.107 42.422 26.700 1.00 0.00 ATOM 230 CD ARG 27 13.646 42.120 26.374 1.00 0.00 ATOM 231 NE ARG 27 13.081 41.685 27.668 1.00 0.00 ATOM 232 CZ ARG 27 12.605 42.563 28.542 1.00 0.00 ATOM 233 NH1 ARG 27 12.587 43.883 28.365 1.00 0.00 ATOM 234 NH2 ARG 27 12.123 42.130 29.689 1.00 0.00 ATOM 235 O ARG 27 18.113 42.546 27.422 1.00 0.00 ATOM 236 C ARG 27 17.949 42.454 26.205 1.00 0.00 ATOM 237 N PHE 28 18.470 41.562 25.451 1.00 0.00 ATOM 238 CA PHE 28 19.352 40.534 26.018 1.00 0.00 ATOM 239 CB PHE 28 18.787 39.143 25.465 1.00 0.00 ATOM 240 CG PHE 28 17.343 38.874 25.798 1.00 0.00 ATOM 241 CD1 PHE 28 16.890 38.990 27.111 1.00 0.00 ATOM 242 CD2 PHE 28 16.436 38.518 24.805 1.00 0.00 ATOM 243 CE1 PHE 28 15.553 38.758 27.435 1.00 0.00 ATOM 244 CE2 PHE 28 15.089 38.281 25.119 1.00 0.00 ATOM 245 CZ PHE 28 14.651 38.403 26.433 1.00 0.00 ATOM 246 O PHE 28 21.671 40.267 26.570 1.00 0.00 ATOM 247 C PHE 28 20.835 40.938 25.953 1.00 0.00 ATOM 248 N ARG 29 21.075 42.222 25.665 1.00 0.00 ATOM 249 CA ARG 29 22.448 42.732 25.529 1.00 0.00 ATOM 250 CB ARG 29 22.509 44.059 24.788 1.00 0.00 ATOM 251 CG ARG 29 23.912 44.599 24.556 1.00 0.00 ATOM 252 CD ARG 29 23.971 45.797 23.681 1.00 0.00 ATOM 253 NE ARG 29 25.304 46.347 23.499 1.00 0.00 ATOM 254 CZ ARG 29 25.580 47.478 22.821 1.00 0.00 ATOM 255 NH1 ARG 29 24.626 48.161 22.229 1.00 0.00 ATOM 256 NH2 ARG 29 26.840 47.869 22.747 1.00 0.00 ATOM 257 O ARG 29 24.398 42.614 26.921 1.00 0.00 ATOM 258 C ARG 29 23.182 42.806 26.863 1.00 0.00 ATOM 259 N VAL 30 22.445 43.083 27.934 1.00 0.00 ATOM 260 CA VAL 30 23.051 43.182 29.319 1.00 0.00 ATOM 261 CB VAL 30 21.998 43.375 30.425 1.00 0.00 ATOM 262 CG1 VAL 30 22.643 43.287 31.799 1.00 0.00 ATOM 263 CG2 VAL 30 21.287 44.710 30.257 1.00 0.00 ATOM 264 O VAL 30 24.873 41.974 30.331 1.00 0.00 ATOM 265 C VAL 30 23.855 41.910 29.642 1.00 0.00 ATOM 266 N PHE 31 23.391 40.767 29.144 1.00 0.00 ATOM 267 CA PHE 31 24.077 39.504 29.388 1.00 0.00 ATOM 268 CB PHE 31 23.301 38.373 28.764 1.00 0.00 ATOM 269 CG PHE 31 21.945 38.200 29.336 1.00 0.00 ATOM 270 CD1 PHE 31 20.911 38.150 28.432 1.00 0.00 ATOM 271 CD2 PHE 31 21.747 38.116 30.689 1.00 0.00 ATOM 272 CE1 PHE 31 19.650 38.028 28.922 1.00 0.00 ATOM 273 CE2 PHE 31 20.464 37.997 31.120 1.00 0.00 ATOM 274 CZ PHE 31 19.402 37.969 30.255 1.00 0.00 ATOM 275 O PHE 31 26.187 38.528 28.802 1.00 0.00 ATOM 276 C PHE 31 25.348 39.389 28.563 1.00 0.00 ATOM 277 N THR 32 25.243 39.998 27.387 1.00 0.00 ATOM 278 CA THR 32 26.195 39.738 26.314 1.00 0.00 ATOM 279 CB THR 32 25.978 40.683 25.116 1.00 0.00 ATOM 280 CG2 THR 32 27.009 40.415 24.032 1.00 0.00 ATOM 281 OG1 THR 32 24.662 40.484 24.582 1.00 0.00 ATOM 282 O THR 32 28.445 39.010 26.595 1.00 0.00 ATOM 283 C THR 32 27.615 39.903 26.772 1.00 0.00 ATOM 284 N LYS 33 27.909 41.053 27.370 1.00 0.00 ATOM 285 CA LYS 33 29.254 41.327 27.862 1.00 0.00 ATOM 286 CB LYS 33 29.543 42.828 27.819 1.00 0.00 ATOM 287 CG LYS 33 29.404 43.458 26.440 1.00 0.00 ATOM 288 CD LYS 33 30.450 42.916 25.477 1.00 0.00 ATOM 289 CE LYS 33 30.410 43.648 24.144 1.00 0.00 ATOM 290 NZ LYS 33 31.432 43.132 23.193 1.00 0.00 ATOM 291 O LYS 33 28.434 40.660 30.013 1.00 0.00 ATOM 292 C LYS 33 29.410 40.786 29.275 1.00 0.00 ATOM 293 N PRO 34 30.663 40.456 29.619 1.00 0.00 ATOM 294 CA PRO 34 30.999 40.206 31.022 1.00 0.00 ATOM 295 CB PRO 34 32.501 39.968 30.966 1.00 0.00 ATOM 296 CG PRO 34 32.986 40.774 29.775 1.00 0.00 ATOM 297 CD PRO 34 31.872 40.484 28.769 1.00 0.00 ATOM 298 O PRO 34 30.700 42.574 31.273 1.00 0.00 ATOM 299 C PRO 34 30.635 41.454 31.803 1.00 0.00 ATOM 300 N VAL 35 30.227 41.258 33.045 1.00 0.00 ATOM 301 CA VAL 35 29.980 42.423 33.915 1.00 0.00 ATOM 302 CB VAL 35 29.407 41.995 35.279 1.00 0.00 ATOM 303 CG1 VAL 35 29.298 43.194 36.209 1.00 0.00 ATOM 304 CG2 VAL 35 28.049 41.333 35.103 1.00 0.00 ATOM 305 O VAL 35 32.362 42.437 34.163 1.00 0.00 ATOM 306 C VAL 35 31.351 43.104 34.022 1.00 0.00 ATOM 307 N ASP 36 31.363 44.414 33.784 1.00 0.00 ATOM 308 CA ASP 36 32.601 45.191 33.868 1.00 0.00 ATOM 309 CB ASP 36 32.414 46.576 33.242 1.00 0.00 ATOM 310 CG ASP 36 33.677 47.426 33.207 1.00 0.00 ATOM 311 OD1 ASP 36 34.675 46.992 33.732 1.00 0.00 ATOM 312 OD2 ASP 36 33.678 48.423 32.527 1.00 0.00 ATOM 313 O ASP 36 32.398 46.074 36.090 1.00 0.00 ATOM 314 C ASP 36 33.056 45.388 35.309 1.00 0.00 ATOM 315 N PRO 37 34.191 44.786 35.679 1.00 0.00 ATOM 316 CA PRO 37 34.756 44.880 37.030 1.00 0.00 ATOM 317 CB PRO 37 36.117 44.204 36.875 1.00 0.00 ATOM 318 CG PRO 37 35.849 43.172 35.827 1.00 0.00 ATOM 319 CD PRO 37 35.048 43.954 34.816 1.00 0.00 ATOM 320 O PRO 37 34.758 46.545 38.709 1.00 0.00 ATOM 321 C PRO 37 34.956 46.314 37.535 1.00 0.00 ATOM 322 N ASP 38 35.201 47.281 36.664 1.00 0.00 ATOM 323 CA ASP 38 35.339 48.681 37.108 1.00 0.00 ATOM 324 CB ASP 38 35.853 49.560 35.965 1.00 0.00 ATOM 325 CG ASP 38 37.335 49.388 35.659 1.00 0.00 ATOM 326 OD1 ASP 38 38.020 48.783 36.448 1.00 0.00 ATOM 327 OD2 ASP 38 37.739 49.723 34.570 1.00 0.00 ATOM 328 O ASP 38 33.863 49.734 38.676 1.00 0.00 ATOM 329 C ASP 38 33.976 49.164 37.586 1.00 0.00 ATOM 330 N GLU 39 32.929 48.741 36.873 1.00 0.00 ATOM 331 CA GLU 39 31.547 49.044 37.298 1.00 0.00 ATOM 332 CB GLU 39 30.544 48.555 36.249 1.00 0.00 ATOM 333 CG GLU 39 29.090 48.866 36.575 1.00 0.00 ATOM 334 CD GLU 39 28.170 48.361 35.500 1.00 0.00 ATOM 335 OE1 GLU 39 28.653 47.808 34.541 1.00 0.00 ATOM 336 OE2 GLU 39 26.978 48.428 35.686 1.00 0.00 ATOM 337 O GLU 39 30.774 49.051 39.577 1.00 0.00 ATOM 338 C GLU 39 31.235 48.395 38.655 1.00 0.00 ATOM 339 N VAL 40 31.526 47.101 38.734 1.00 0.00 ATOM 340 CA VAL 40 31.290 46.332 39.956 1.00 0.00 ATOM 341 CB VAL 40 30.423 45.069 39.688 1.00 0.00 ATOM 342 CG1 VAL 40 30.285 44.263 40.989 1.00 0.00 ATOM 343 CG2 VAL 40 29.057 45.499 39.152 1.00 0.00 ATOM 344 O VAL 40 33.144 44.819 39.894 1.00 0.00 ATOM 345 C VAL 40 32.649 45.810 40.438 1.00 0.00 ATOM 346 N PRO 41 33.152 46.393 41.527 1.00 0.00 ATOM 347 CA PRO 41 34.465 46.016 42.070 1.00 0.00 ATOM 348 CB PRO 41 34.762 47.013 43.187 1.00 0.00 ATOM 349 CG PRO 41 33.414 47.633 43.554 1.00 0.00 ATOM 350 CD PRO 41 32.570 47.518 42.283 1.00 0.00 ATOM 351 O PRO 41 35.608 43.945 42.406 1.00 0.00 ATOM 352 C PRO 41 34.584 44.607 42.597 1.00 0.00 ATOM 353 N ASP 42 33.568 44.091 43.309 1.00 0.00 ATOM 354 CA ASP 42 33.666 42.803 43.922 1.00 0.00 ATOM 355 CB ASP 42 33.290 42.873 45.403 1.00 0.00 ATOM 356 CG ASP 42 31.859 43.325 45.669 1.00 0.00 ATOM 357 OD1 ASP 42 31.192 43.695 44.732 1.00 0.00 ATOM 358 OD2 ASP 42 31.396 43.147 46.770 1.00 0.00 ATOM 359 O ASP 42 32.549 40.685 43.767 1.00 0.00 ATOM 360 C ASP 42 32.870 41.726 43.192 1.00 0.00 ATOM 361 N TYR 43 32.552 41.978 41.926 1.00 0.00 ATOM 362 CA TYR 43 31.806 41.029 41.150 1.00 0.00 ATOM 363 CB TYR 43 31.575 41.528 39.721 1.00 0.00 ATOM 364 CG TYR 43 30.700 40.483 39.018 1.00 0.00 ATOM 365 CD1 TYR 43 29.350 40.458 39.288 1.00 0.00 ATOM 366 CD2 TYR 43 31.262 39.508 38.214 1.00 0.00 ATOM 367 CE1 TYR 43 28.565 39.487 38.712 1.00 0.00 ATOM 368 CE2 TYR 43 30.467 38.528 37.659 1.00 0.00 ATOM 369 CZ TYR 43 29.109 38.533 37.888 1.00 0.00 ATOM 370 OH TYR 43 28.301 37.615 37.322 1.00 0.00 ATOM 371 O TYR 43 31.975 38.638 41.272 1.00 0.00 ATOM 372 C TYR 43 32.557 39.704 41.066 1.00 0.00 ATOM 373 N VAL 44 33.850 39.772 40.763 1.00 0.00 ATOM 374 CA VAL 44 34.667 38.568 40.659 1.00 0.00 ATOM 375 CB VAL 44 36.090 38.952 40.214 1.00 0.00 ATOM 376 CG1 VAL 44 37.009 37.743 40.264 1.00 0.00 ATOM 377 CG2 VAL 44 36.066 39.544 38.812 1.00 0.00 ATOM 378 O VAL 44 34.620 36.565 42.021 1.00 0.00 ATOM 379 C VAL 44 34.723 37.792 42.007 1.00 0.00 ATOM 380 N THR 45 34.883 38.513 43.112 1.00 0.00 ATOM 381 CA THR 45 34.946 37.883 44.424 1.00 0.00 ATOM 382 CB THR 45 35.044 38.926 45.519 1.00 0.00 ATOM 383 CG2 THR 45 35.071 38.270 46.907 1.00 0.00 ATOM 384 OG1 THR 45 36.241 39.715 45.400 1.00 0.00 ATOM 385 O THR 45 33.791 35.888 45.095 1.00 0.00 ATOM 386 C THR 45 33.697 37.045 44.681 1.00 0.00 ATOM 387 N VAL 46 32.529 37.630 44.434 1.00 0.00 ATOM 388 CA VAL 46 31.264 36.920 44.642 1.00 0.00 ATOM 389 CB VAL 46 30.095 37.915 44.575 1.00 0.00 ATOM 390 CG1 VAL 46 28.767 37.180 44.654 1.00 0.00 ATOM 391 CG2 VAL 46 30.150 38.874 45.755 1.00 0.00 ATOM 392 O VAL 46 30.703 34.655 44.037 1.00 0.00 ATOM 393 C VAL 46 31.079 35.762 43.648 1.00 0.00 ATOM 394 N ILE 47 31.241 36.057 42.367 1.00 0.00 ATOM 395 CA ILE 47 30.909 35.064 41.351 1.00 0.00 ATOM 396 CB ILE 47 30.168 35.699 40.163 1.00 0.00 ATOM 397 CG1 ILE 47 28.874 36.403 40.616 1.00 0.00 ATOM 398 CG2 ILE 47 29.901 34.657 39.067 1.00 0.00 ATOM 399 CD1 ILE 47 27.937 35.556 41.488 1.00 0.00 ATOM 400 O ILE 47 33.008 34.855 40.207 1.00 0.00 ATOM 401 C ILE 47 32.170 34.334 40.938 1.00 0.00 ATOM 402 N LYS 48 32.539 33.147 41.324 1.00 0.00 ATOM 403 CA LYS 48 33.698 32.329 40.926 1.00 0.00 ATOM 404 CB LYS 48 33.761 31.046 41.756 1.00 0.00 ATOM 405 CG LYS 48 34.960 30.159 41.456 1.00 0.00 ATOM 406 CD LYS 48 35.001 28.950 42.378 1.00 0.00 ATOM 407 CE LYS 48 36.184 28.050 42.061 1.00 0.00 ATOM 408 NZ LYS 48 36.218 26.846 42.937 1.00 0.00 ATOM 409 O LYS 48 34.757 31.662 38.878 1.00 0.00 ATOM 410 C LYS 48 33.678 31.917 39.463 1.00 0.00 ATOM 411 N GLN 49 32.452 31.681 38.921 1.00 0.00 ATOM 412 CA GLN 49 32.331 31.195 37.554 1.00 0.00 ATOM 413 CB GLN 49 31.667 29.819 37.463 1.00 0.00 ATOM 414 CG GLN 49 32.513 28.681 38.008 1.00 0.00 ATOM 415 CD GLN 49 33.776 28.460 37.196 1.00 0.00 ATOM 416 OE1 GLN 49 33.744 28.445 35.963 1.00 0.00 ATOM 417 NE2 GLN 49 34.898 28.282 37.887 1.00 0.00 ATOM 418 O GLN 49 30.363 31.954 36.438 1.00 0.00 ATOM 419 C GLN 49 31.522 32.201 36.756 1.00 0.00 ATOM 420 N PRO 50 32.148 33.324 36.401 1.00 0.00 ATOM 421 CA PRO 50 31.459 34.330 35.585 1.00 0.00 ATOM 422 CB PRO 50 32.330 35.609 35.765 1.00 0.00 ATOM 423 CG PRO 50 33.731 34.978 35.931 1.00 0.00 ATOM 424 CD PRO 50 33.525 33.740 36.795 1.00 0.00 ATOM 425 O PRO 50 31.810 33.243 33.475 1.00 0.00 ATOM 426 C PRO 50 31.015 33.820 34.218 1.00 0.00 ATOM 427 N MET 51 29.744 34.032 33.888 1.00 0.00 ATOM 428 CA MET 51 29.211 33.588 32.604 1.00 0.00 ATOM 429 CB MET 51 28.185 32.480 32.834 1.00 0.00 ATOM 430 CG MET 51 28.762 31.199 33.421 1.00 0.00 ATOM 431 SD MET 51 30.071 30.494 32.398 1.00 0.00 ATOM 432 CE MET 51 30.826 29.355 33.553 1.00 0.00 ATOM 433 O MET 51 27.958 35.636 32.462 1.00 0.00 ATOM 434 C MET 51 28.582 34.766 31.851 1.00 0.00 ATOM 435 N ASP 52 28.745 34.787 30.532 1.00 0.00 ATOM 436 CA ASP 52 28.185 35.860 29.719 1.00 0.00 ATOM 437 CB ASP 52 29.112 37.066 29.756 1.00 0.00 ATOM 438 CG ASP 52 30.401 36.799 29.052 1.00 0.00 ATOM 439 OD1 ASP 52 31.195 36.011 29.624 1.00 0.00 ATOM 440 OD2 ASP 52 30.601 37.270 27.906 1.00 0.00 ATOM 441 O ASP 52 28.614 34.296 27.940 1.00 0.00 ATOM 442 C ASP 52 28.015 35.307 28.314 1.00 0.00 ATOM 443 N LEU 53 27.169 35.964 27.551 1.00 0.00 ATOM 444 CA LEU 53 26.802 35.405 26.242 1.00 0.00 ATOM 445 CB LEU 53 25.628 36.229 25.689 1.00 0.00 ATOM 446 CG LEU 53 24.322 35.962 26.440 1.00 0.00 ATOM 447 CD1 LEU 53 23.275 36.928 25.950 1.00 0.00 ATOM 448 CD2 LEU 53 23.865 34.525 26.236 1.00 0.00 ATOM 449 O LEU 53 28.130 34.491 24.466 1.00 0.00 ATOM 450 C LEU 53 27.985 35.403 25.280 1.00 0.00 ATOM 451 N SER 54 28.829 36.426 25.375 1.00 0.00 ATOM 452 CA SER 54 30.011 36.530 24.498 1.00 0.00 ATOM 453 CB SER 54 30.866 37.667 24.758 1.00 0.00 ATOM 454 OG SER 54 30.087 38.823 24.470 1.00 0.00 ATOM 455 O SER 54 31.332 34.665 23.769 1.00 0.00 ATOM 456 C SER 54 30.920 35.321 24.724 1.00 0.00 ATOM 457 N SER 55 31.226 35.018 25.963 1.00 0.00 ATOM 458 CA SER 55 32.071 33.873 26.295 1.00 0.00 ATOM 459 CB SER 55 32.441 33.795 27.751 1.00 0.00 ATOM 460 OG SER 55 33.143 34.977 28.085 1.00 0.00 ATOM 461 O SER 55 32.056 31.622 25.511 1.00 0.00 ATOM 462 C SER 55 31.394 32.557 25.944 1.00 0.00 ATOM 463 N VAL 56 30.067 32.539 26.105 1.00 0.00 ATOM 464 CA VAL 56 29.264 31.364 25.701 1.00 0.00 ATOM 465 CB VAL 56 27.778 31.522 26.050 1.00 0.00 ATOM 466 CG1 VAL 56 26.917 30.398 25.466 1.00 0.00 ATOM 467 CG2 VAL 56 27.568 31.469 27.568 1.00 0.00 ATOM 468 O VAL 56 29.532 30.004 23.733 1.00 0.00 ATOM 469 C VAL 56 29.362 31.131 24.183 1.00 0.00 ATOM 470 N ILE 57 29.273 32.219 23.397 1.00 0.00 ATOM 471 CA ILE 57 29.450 32.053 21.922 1.00 0.00 ATOM 472 CB ILE 57 29.094 33.341 21.186 1.00 0.00 ATOM 473 CG1 ILE 57 27.640 33.805 21.557 1.00 0.00 ATOM 474 CG2 ILE 57 29.261 33.215 19.704 1.00 0.00 ATOM 475 CD1 ILE 57 27.350 35.194 21.117 1.00 0.00 ATOM 476 O ILE 57 30.990 30.607 20.785 1.00 0.00 ATOM 477 C ILE 57 30.838 31.495 21.625 1.00 0.00 ATOM 478 N SER 58 31.848 32.017 22.313 1.00 0.00 ATOM 479 CA SER 58 33.238 31.554 22.113 1.00 0.00 ATOM 480 CB SER 58 34.210 32.274 23.027 1.00 0.00 ATOM 481 OG SER 58 34.219 33.656 22.670 1.00 0.00 ATOM 482 O SER 58 34.021 29.319 21.618 1.00 0.00 ATOM 483 C SER 58 33.346 30.026 22.367 1.00 0.00 ATOM 484 N LYS 59 32.684 29.541 23.412 1.00 0.00 ATOM 485 CA LYS 59 32.718 28.120 23.736 1.00 0.00 ATOM 486 CB LYS 59 32.010 27.913 25.075 1.00 0.00 ATOM 487 CG LYS 59 32.773 28.448 26.279 1.00 0.00 ATOM 488 CD LYS 59 32.009 28.204 27.572 1.00 0.00 ATOM 489 CE LYS 59 32.759 28.763 28.774 1.00 0.00 ATOM 490 NZ LYS 59 32.009 28.558 30.041 1.00 0.00 ATOM 491 O LYS 59 32.566 26.159 22.352 1.00 0.00 ATOM 492 C LYS 59 32.073 27.256 22.655 1.00 0.00 ATOM 493 N ILE 60 30.994 27.766 22.073 1.00 0.00 ATOM 494 CA ILE 60 30.347 27.084 20.941 1.00 0.00 ATOM 495 CB ILE 60 29.127 27.884 20.447 1.00 0.00 ATOM 496 CG1 ILE 60 28.002 27.835 21.484 1.00 0.00 ATOM 497 CG2 ILE 60 28.644 27.349 19.109 1.00 0.00 ATOM 498 CD1 ILE 60 26.876 28.808 21.209 1.00 0.00 ATOM 499 O ILE 60 31.651 25.833 19.397 1.00 0.00 ATOM 500 C ILE 60 31.392 26.946 19.825 1.00 0.00 ATOM 501 N ASP 61 32.103 28.027 19.555 1.00 0.00 ATOM 502 CA ASP 61 33.179 27.981 18.545 1.00 0.00 ATOM 503 CB ASP 61 33.774 29.376 18.330 1.00 0.00 ATOM 504 CG ASP 61 32.869 30.334 17.567 1.00 0.00 ATOM 505 OD1 ASP 61 31.900 29.883 17.004 1.00 0.00 ATOM 506 OD2 ASP 61 33.063 31.520 17.682 1.00 0.00 ATOM 507 O ASP 61 34.801 26.256 18.116 1.00 0.00 ATOM 508 C ASP 61 34.284 26.997 18.944 1.00 0.00 ATOM 509 N LEU 62 34.500 26.900 20.253 1.00 0.00 ATOM 510 CA LEU 62 35.465 25.979 20.873 1.00 0.00 ATOM 511 CB LEU 62 35.652 26.326 22.355 1.00 0.00 ATOM 512 CG LEU 62 36.312 27.683 22.631 1.00 0.00 ATOM 513 CD1 LEU 62 36.329 27.962 24.128 1.00 0.00 ATOM 514 CD2 LEU 62 37.725 27.685 22.066 1.00 0.00 ATOM 515 O LEU 62 35.834 23.652 21.123 1.00 0.00 ATOM 516 C LEU 62 35.058 24.520 20.741 1.00 0.00 ATOM 517 N HIS 63 33.795 24.256 20.429 1.00 0.00 ATOM 518 CA HIS 63 33.249 22.885 20.397 1.00 0.00 ATOM 519 CB HIS 63 34.095 21.954 19.498 1.00 0.00 ATOM 520 CG HIS 63 34.176 22.477 18.067 1.00 0.00 ATOM 521 CD2 HIS 63 35.242 23.013 17.505 1.00 0.00 ATOM 522 ND1 HIS 63 33.218 22.430 17.160 1.00 0.00 ATOM 523 CE1 HIS 63 33.702 22.981 16.049 1.00 0.00 ATOM 524 NE2 HIS 63 34.960 23.321 16.240 1.00 0.00 ATOM 525 O HIS 63 33.209 21.102 22.001 1.00 0.00 ATOM 526 C HIS 63 33.132 22.316 21.806 1.00 0.00 ATOM 527 N LYS 64 32.943 23.192 22.787 1.00 0.00 ATOM 528 CA LYS 64 32.810 22.757 24.211 1.00 0.00 ATOM 529 CB LYS 64 33.043 23.952 25.138 1.00 0.00 ATOM 530 CG LYS 64 34.459 24.507 25.107 1.00 0.00 ATOM 531 CD LYS 64 35.462 23.501 25.651 1.00 0.00 ATOM 532 CE LYS 64 36.864 24.090 25.706 1.00 0.00 ATOM 533 NZ LYS 64 37.857 23.112 26.231 1.00 0.00 ATOM 534 O LYS 64 31.247 21.591 25.638 1.00 0.00 ATOM 535 C LYS 64 31.408 22.218 24.591 1.00 0.00 ATOM 536 N TYR 65 30.418 22.467 23.739 1.00 0.00 ATOM 537 CA TYR 65 29.062 22.000 24.002 1.00 0.00 ATOM 538 CB TYR 65 27.976 23.040 23.781 1.00 0.00 ATOM 539 CG TYR 65 28.191 24.283 24.616 1.00 0.00 ATOM 540 CD1 TYR 65 27.904 24.284 25.973 1.00 0.00 ATOM 541 CD2 TYR 65 28.656 25.407 23.987 1.00 0.00 ATOM 542 CE1 TYR 65 28.097 25.447 26.701 1.00 0.00 ATOM 543 CE2 TYR 65 28.850 26.570 24.715 1.00 0.00 ATOM 544 CZ TYR 65 28.574 26.579 26.072 1.00 0.00 ATOM 545 OH TYR 65 28.776 27.730 26.759 1.00 0.00 ATOM 546 O TYR 65 28.412 20.940 21.931 1.00 0.00 ATOM 547 C TYR 65 28.672 20.824 23.130 1.00 0.00 ATOM 548 N LEU 66 28.855 19.657 23.715 1.00 0.00 ATOM 549 CA LEU 66 28.413 18.424 23.056 1.00 0.00 ATOM 550 CB LEU 66 29.236 17.237 23.681 1.00 0.00 ATOM 551 CG LEU 66 30.747 17.238 23.456 1.00 0.00 ATOM 552 CD1 LEU 66 31.345 16.037 24.166 1.00 0.00 ATOM 553 CD2 LEU 66 31.061 17.194 21.961 1.00 0.00 ATOM 554 O LEU 66 26.361 17.465 22.285 1.00 0.00 ATOM 555 C LEU 66 26.905 18.205 23.106 1.00 0.00 ATOM 556 N THR 67 26.262 18.845 24.068 1.00 0.00 ATOM 557 CA THR 67 24.820 18.674 24.250 1.00 0.00 ATOM 558 CB THR 67 24.449 17.687 25.372 1.00 0.00 ATOM 559 CG2 THR 67 25.094 16.333 25.127 1.00 0.00 ATOM 560 OG1 THR 67 24.897 18.206 26.632 1.00 0.00 ATOM 561 O THR 67 24.770 20.982 24.994 1.00 0.00 ATOM 562 C THR 67 24.171 20.015 24.539 1.00 0.00 ATOM 563 N VAL 68 22.859 19.908 24.502 1.00 0.00 ATOM 564 CA VAL 68 21.893 20.916 24.940 1.00 0.00 ATOM 565 CB VAL 68 20.449 20.368 24.874 1.00 0.00 ATOM 566 CG1 VAL 68 19.534 21.128 25.832 1.00 0.00 ATOM 567 CG2 VAL 68 19.932 20.487 23.453 1.00 0.00 ATOM 568 O VAL 68 22.139 22.540 26.728 1.00 0.00 ATOM 569 C VAL 68 22.174 21.363 26.383 1.00 0.00 ATOM 570 N LYS 69 22.244 20.323 27.213 1.00 0.00 ATOM 571 CA LYS 69 22.242 20.449 28.672 1.00 0.00 ATOM 572 CB LYS 69 22.229 19.071 29.334 1.00 0.00 ATOM 573 CG LYS 69 20.911 18.320 29.195 1.00 0.00 ATOM 574 CD LYS 69 20.973 16.961 29.880 1.00 0.00 ATOM 575 CE LYS 69 19.666 16.200 29.720 1.00 0.00 ATOM 576 NZ LYS 69 19.724 14.856 30.357 1.00 0.00 ATOM 577 O LYS 69 23.260 22.188 29.973 1.00 0.00 ATOM 578 C LYS 69 23.419 21.302 29.132 1.00 0.00 ATOM 579 N ASP 70 24.599 21.034 28.582 1.00 0.00 ATOM 580 CA ASP 70 25.796 21.791 28.947 1.00 0.00 ATOM 581 CB ASP 70 27.039 21.207 28.271 1.00 0.00 ATOM 582 CG ASP 70 27.522 19.894 28.870 1.00 0.00 ATOM 583 OD1 ASP 70 27.064 19.542 29.931 1.00 0.00 ATOM 584 OD2 ASP 70 28.223 19.178 28.192 1.00 0.00 ATOM 585 O ASP 70 25.902 24.155 29.384 1.00 0.00 ATOM 586 C ASP 70 25.563 23.268 28.599 1.00 0.00 ATOM 587 N TYR 71 24.988 23.522 27.429 1.00 0.00 ATOM 588 CA TYR 71 24.718 24.890 27.001 1.00 0.00 ATOM 589 CB TYR 71 24.106 24.925 25.598 1.00 0.00 ATOM 590 CG TYR 71 23.547 26.273 25.206 1.00 0.00 ATOM 591 CD1 TYR 71 24.382 27.295 24.780 1.00 0.00 ATOM 592 CD2 TYR 71 22.183 26.522 25.261 1.00 0.00 ATOM 593 CE1 TYR 71 23.878 28.531 24.422 1.00 0.00 ATOM 594 CE2 TYR 71 21.666 27.751 24.904 1.00 0.00 ATOM 595 CZ TYR 71 22.517 28.755 24.485 1.00 0.00 ATOM 596 OH TYR 71 22.006 29.981 24.128 1.00 0.00 ATOM 597 O TYR 71 23.945 26.696 28.398 1.00 0.00 ATOM 598 C TYR 71 23.736 25.554 27.987 1.00 0.00 ATOM 599 N LEU 72 22.680 24.837 28.356 1.00 0.00 ATOM 600 CA LEU 72 21.691 25.370 29.286 1.00 0.00 ATOM 601 CB LEU 72 20.491 24.433 29.408 1.00 0.00 ATOM 602 CG LEU 72 19.429 24.975 30.373 1.00 0.00 ATOM 603 CD1 LEU 72 18.834 26.292 29.890 1.00 0.00 ATOM 604 CD2 LEU 72 18.323 23.942 30.576 1.00 0.00 ATOM 605 O LEU 72 21.848 26.568 31.359 1.00 0.00 ATOM 606 C LEU 72 22.244 25.616 30.685 1.00 0.00 ATOM 607 N ARG 73 23.162 24.758 31.120 1.00 0.00 ATOM 608 CA ARG 73 23.769 24.898 32.453 1.00 0.00 ATOM 609 CB ARG 73 24.635 23.702 32.815 1.00 0.00 ATOM 610 CG ARG 73 25.261 23.761 34.200 1.00 0.00 ATOM 611 CD ARG 73 26.090 22.578 34.547 1.00 0.00 ATOM 612 NE ARG 73 27.251 22.383 33.695 1.00 0.00 ATOM 613 CZ ARG 73 27.342 21.448 32.729 1.00 0.00 ATOM 614 NH1 ARG 73 26.360 20.598 32.513 1.00 0.00 ATOM 615 NH2 ARG 73 28.453 21.392 32.017 1.00 0.00 ATOM 616 O ARG 73 24.476 26.885 33.595 1.00 0.00 ATOM 617 C ARG 73 24.540 26.208 32.567 1.00 0.00 ATOM 618 N ASP 74 25.267 26.564 31.514 1.00 0.00 ATOM 619 CA ASP 74 26.051 27.810 31.509 1.00 0.00 ATOM 620 CB ASP 74 26.958 27.935 30.303 1.00 0.00 ATOM 621 CG ASP 74 28.309 27.276 30.519 1.00 0.00 ATOM 622 OD1 ASP 74 28.558 26.744 31.608 1.00 0.00 ATOM 623 OD2 ASP 74 29.134 27.320 29.592 1.00 0.00 ATOM 624 O ASP 74 25.371 29.974 32.270 1.00 0.00 ATOM 625 C ASP 74 25.138 29.027 31.527 1.00 0.00 ATOM 626 N ILE 75 24.002 28.867 30.860 1.00 0.00 ATOM 627 CA ILE 75 22.956 29.901 30.893 1.00 0.00 ATOM 628 CB ILE 75 21.762 29.496 29.875 1.00 0.00 ATOM 629 CG1 ILE 75 22.335 29.124 28.469 1.00 0.00 ATOM 630 CG2 ILE 75 20.727 30.636 29.788 1.00 0.00 ATOM 631 CD1 ILE 75 23.157 30.150 27.689 1.00 0.00 ATOM 632 O ILE 75 22.310 31.153 32.843 1.00 0.00 ATOM 633 C ILE 75 22.439 30.044 32.329 1.00 0.00 ATOM 634 N ASP 76 22.154 28.917 32.983 1.00 0.00 ATOM 635 CA ASP 76 21.672 28.919 34.365 1.00 0.00 ATOM 636 CB ASP 76 21.409 27.500 34.853 1.00 0.00 ATOM 637 CG ASP 76 20.884 27.502 36.294 1.00 0.00 ATOM 638 OD1 ASP 76 19.795 28.068 36.527 1.00 0.00 ATOM 639 OD2 ASP 76 21.523 26.843 37.124 1.00 0.00 ATOM 640 O ASP 76 22.276 30.314 36.230 1.00 0.00 ATOM 641 C ASP 76 22.676 29.630 35.284 1.00 0.00 ATOM 642 N LEU 77 23.976 29.474 34.973 1.00 0.00 ATOM 643 CA LEU 77 25.021 30.144 35.756 1.00 0.00 ATOM 644 CB LEU 77 26.407 29.799 35.198 1.00 0.00 ATOM 645 CG LEU 77 26.863 28.354 35.432 1.00 0.00 ATOM 646 CD1 LEU 77 28.163 28.088 34.685 1.00 0.00 ATOM 647 CD2 LEU 77 27.039 28.112 36.924 1.00 0.00 ATOM 648 O LEU 77 25.080 32.291 36.763 1.00 0.00 ATOM 649 C LEU 77 24.873 31.656 35.735 1.00 0.00 ATOM 650 N ILE 78 24.350 32.199 34.645 1.00 0.00 ATOM 651 CA ILE 78 24.108 33.648 34.569 1.00 0.00 ATOM 652 CB ILE 78 23.689 34.126 33.172 1.00 0.00 ATOM 653 CG1 ILE 78 24.844 33.869 32.188 1.00 0.00 ATOM 654 CG2 ILE 78 23.171 35.576 33.163 1.00 0.00 ATOM 655 CD1 ILE 78 24.587 34.086 30.695 1.00 0.00 ATOM 656 O ILE 78 23.304 34.984 36.393 1.00 0.00 ATOM 657 C ILE 78 23.089 34.036 35.636 1.00 0.00 ATOM 658 N CYS 79 21.983 33.302 35.696 1.00 0.00 ATOM 659 CA CYS 79 20.911 33.582 36.700 1.00 0.00 ATOM 660 CB CYS 79 19.599 32.808 36.518 1.00 0.00 ATOM 661 SG CYS 79 18.334 33.029 37.844 1.00 0.00 ATOM 662 O CYS 79 21.139 34.154 39.035 1.00 0.00 ATOM 663 C CYS 79 21.402 33.343 38.146 1.00 0.00 ATOM 664 N SER 80 22.109 32.238 38.364 1.00 0.00 ATOM 665 CA SER 80 22.623 31.919 39.690 1.00 0.00 ATOM 666 CB SER 80 23.244 30.535 39.693 1.00 0.00 ATOM 667 OG SER 80 22.291 29.532 39.469 1.00 0.00 ATOM 668 O SER 80 23.504 33.537 41.221 1.00 0.00 ATOM 669 C SER 80 23.609 32.990 40.122 1.00 0.00 ATOM 670 N ASN 81 24.571 33.293 39.256 1.00 0.00 ATOM 671 CA ASN 81 25.575 34.305 39.564 1.00 0.00 ATOM 672 CB ASN 81 26.592 34.387 38.441 1.00 0.00 ATOM 673 CG ASN 81 27.352 33.073 38.263 1.00 0.00 ATOM 674 ND2 ASN 81 27.788 32.922 37.055 1.00 0.00 ATOM 675 OD1 ASN 81 27.643 32.300 39.152 1.00 0.00 ATOM 676 O ASN 81 25.123 36.367 40.681 1.00 0.00 ATOM 677 C ASN 81 24.881 35.651 39.714 1.00 0.00 ATOM 678 N ALA 82 23.946 35.913 38.802 1.00 0.00 ATOM 679 CA ALA 82 23.155 37.161 38.827 1.00 0.00 ATOM 680 CB ALA 82 22.205 37.381 37.665 1.00 0.00 ATOM 681 O ALA 82 22.465 38.322 40.819 1.00 0.00 ATOM 682 C ALA 82 22.377 37.298 40.131 1.00 0.00 ATOM 683 N LEU 83 21.652 36.266 40.484 1.00 0.00 ATOM 684 CA LEU 83 20.830 36.285 41.686 1.00 0.00 ATOM 685 CB LEU 83 19.859 35.112 41.722 1.00 0.00 ATOM 686 CG LEU 83 19.030 35.136 43.006 1.00 0.00 ATOM 687 CD1 LEU 83 18.193 36.416 43.097 1.00 0.00 ATOM 688 CD2 LEU 83 18.174 33.882 43.113 1.00 0.00 ATOM 689 O LEU 83 21.443 37.036 43.887 1.00 0.00 ATOM 690 C LEU 83 21.692 36.268 42.930 1.00 0.00 ATOM 691 N GLU 84 22.694 35.406 42.958 1.00 0.00 ATOM 692 CA GLU 84 23.584 35.236 44.104 1.00 0.00 ATOM 693 CB GLU 84 24.593 34.170 43.926 1.00 0.00 ATOM 694 CG GLU 84 25.555 34.033 45.089 1.00 0.00 ATOM 695 CD GLU 84 24.889 33.690 46.400 1.00 0.00 ATOM 696 OE1 GLU 84 23.761 33.141 46.410 1.00 0.00 ATOM 697 OE2 GLU 84 25.494 33.982 47.442 1.00 0.00 ATOM 698 O GLU 84 24.335 36.953 45.602 1.00 0.00 ATOM 699 C GLU 84 24.322 36.526 44.447 1.00 0.00 ATOM 700 N TYR 85 24.934 37.145 43.442 1.00 0.00 ATOM 701 CA TYR 85 25.663 38.381 43.656 1.00 0.00 ATOM 702 CB TYR 85 26.558 38.765 42.478 1.00 0.00 ATOM 703 CG TYR 85 27.156 40.162 42.718 1.00 0.00 ATOM 704 CD1 TYR 85 28.028 40.407 43.755 1.00 0.00 ATOM 705 CD2 TYR 85 26.712 41.229 41.972 1.00 0.00 ATOM 706 CE1 TYR 85 28.493 41.668 44.069 1.00 0.00 ATOM 707 CE2 TYR 85 27.177 42.489 42.266 1.00 0.00 ATOM 708 CZ TYR 85 28.068 42.732 43.303 1.00 0.00 ATOM 709 OH TYR 85 28.560 43.970 43.598 1.00 0.00 ATOM 710 O TYR 85 25.059 40.271 44.873 1.00 0.00 ATOM 711 C TYR 85 24.725 39.529 43.972 1.00 0.00 ATOM 712 N ASN 86 23.924 39.895 42.982 1.00 0.00 ATOM 713 CA ASN 86 23.258 41.195 42.929 1.00 0.00 ATOM 714 CB ASN 86 22.008 41.200 42.058 1.00 0.00 ATOM 715 CG ASN 86 22.380 41.064 40.578 1.00 0.00 ATOM 716 ND2 ASN 86 23.608 41.410 40.249 1.00 0.00 ATOM 717 OD1 ASN 86 21.617 40.583 39.755 1.00 0.00 ATOM 718 O ASN 86 22.725 41.426 45.262 1.00 0.00 ATOM 719 C ASN 86 23.070 41.998 44.213 1.00 0.00 ATOM 720 N PRO 87 23.429 43.270 44.096 1.00 0.00 ATOM 721 CA PRO 87 23.171 44.257 45.139 1.00 0.00 ATOM 722 CB PRO 87 24.199 45.358 44.883 1.00 0.00 ATOM 723 CG PRO 87 24.381 45.340 43.381 1.00 0.00 ATOM 724 CD PRO 87 24.287 43.852 43.042 1.00 0.00 ATOM 725 O PRO 87 21.116 44.562 43.965 1.00 0.00 ATOM 726 C PRO 87 21.726 44.722 45.020 1.00 0.00 ATOM 727 N ASP 88 21.211 45.258 46.102 1.00 0.00 ATOM 728 CA ASP 88 19.836 45.789 46.103 1.00 0.00 ATOM 729 CB ASP 88 19.029 45.252 47.286 1.00 0.00 ATOM 730 CG ASP 88 19.559 45.671 48.653 1.00 0.00 ATOM 731 OD1 ASP 88 20.421 46.516 48.699 1.00 0.00 ATOM 732 OD2 ASP 88 18.993 45.262 49.637 1.00 0.00 ATOM 733 O ASP 88 21.007 47.840 46.558 1.00 0.00 ATOM 734 C ASP 88 19.936 47.320 46.208 1.00 0.00 ATOM 735 N ARG 89 18.739 47.882 46.047 1.00 0.00 ATOM 736 CA ARG 89 18.520 49.328 46.300 1.00 0.00 ATOM 737 CB ARG 89 18.670 49.686 47.769 1.00 0.00 ATOM 738 CG ARG 89 17.734 48.944 48.709 1.00 0.00 ATOM 739 CD ARG 89 17.941 49.249 50.148 1.00 0.00 ATOM 740 NE ARG 89 17.193 48.396 51.059 1.00 0.00 ATOM 741 CZ ARG 89 17.267 48.459 52.401 1.00 0.00 ATOM 742 NH1 ARG 89 18.081 49.304 52.995 1.00 0.00 ATOM 743 NH2 ARG 89 16.518 47.632 53.108 1.00 0.00 ATOM 744 O ARG 89 19.749 51.357 45.724 1.00 0.00 ATOM 745 C ARG 89 19.408 50.221 45.389 1.00 0.00 ATOM 746 N ASP 90 19.748 49.709 44.202 1.00 0.00 ATOM 747 CA ASP 90 20.344 50.446 43.078 1.00 0.00 ATOM 748 CB ASP 90 21.757 49.935 42.786 1.00 0.00 ATOM 749 CG ASP 90 22.754 50.156 43.915 1.00 0.00 ATOM 750 OD1 ASP 90 22.925 51.283 44.318 1.00 0.00 ATOM 751 OD2 ASP 90 23.216 49.189 44.471 1.00 0.00 ATOM 752 O ASP 90 18.972 49.298 41.488 1.00 0.00 ATOM 753 C ASP 90 19.364 50.402 41.887 1.00 0.00 ATOM 754 N PRO 91 19.079 51.493 41.264 1.00 0.00 ATOM 755 CA PRO 91 18.341 51.419 39.976 1.00 0.00 ATOM 756 CB PRO 91 18.231 52.889 39.595 1.00 0.00 ATOM 757 CG PRO 91 18.216 53.626 40.883 1.00 0.00 ATOM 758 CD PRO 91 19.302 52.885 41.701 1.00 0.00 ATOM 759 O PRO 91 20.244 50.731 38.676 1.00 0.00 ATOM 760 C PRO 91 19.038 50.593 38.890 1.00 0.00 ATOM 761 N GLY 92 18.279 49.739 38.209 1.00 0.00 ATOM 762 CA GLY 92 18.839 48.906 37.153 1.00 0.00 ATOM 763 O GLY 92 18.623 46.570 36.756 1.00 0.00 ATOM 764 C GLY 92 18.921 47.444 37.577 1.00 0.00 ATOM 765 N ASP 93 19.076 47.203 38.882 1.00 0.00 ATOM 766 CA ASP 93 19.108 45.819 39.396 1.00 0.00 ATOM 767 CB ASP 93 19.508 45.805 40.873 1.00 0.00 ATOM 768 CG ASP 93 20.979 46.107 41.130 1.00 0.00 ATOM 769 OD1 ASP 93 21.740 46.096 40.191 1.00 0.00 ATOM 770 OD2 ASP 93 21.302 46.498 42.226 1.00 0.00 ATOM 771 O ASP 93 17.712 43.869 39.352 1.00 0.00 ATOM 772 C ASP 93 17.765 45.099 39.392 1.00 0.00 ATOM 773 N ARG 94 16.678 45.865 39.434 1.00 0.00 ATOM 774 CA ARG 94 15.347 45.283 39.433 1.00 0.00 ATOM 775 CB ARG 94 14.289 46.349 39.674 1.00 0.00 ATOM 776 CG ARG 94 14.274 46.926 41.080 1.00 0.00 ATOM 777 CD ARG 94 13.270 48.001 41.291 1.00 0.00 ATOM 778 NE ARG 94 13.285 48.588 42.621 1.00 0.00 ATOM 779 CZ ARG 94 12.519 49.626 43.008 1.00 0.00 ATOM 780 NH1 ARG 94 11.706 50.220 42.162 1.00 0.00 ATOM 781 NH2 ARG 94 12.624 50.049 44.256 1.00 0.00 ATOM 782 O ARG 94 14.504 43.410 38.179 1.00 0.00 ATOM 783 C ARG 94 15.046 44.509 38.148 1.00 0.00 ATOM 784 N LEU 95 15.442 45.097 37.021 1.00 0.00 ATOM 785 CA LEU 95 15.193 44.446 35.733 1.00 0.00 ATOM 786 CB LEU 95 15.155 45.479 34.600 1.00 0.00 ATOM 787 CG LEU 95 13.966 46.447 34.639 1.00 0.00 ATOM 788 CD1 LEU 95 14.112 47.496 33.545 1.00 0.00 ATOM 789 CD2 LEU 95 12.671 45.668 34.470 1.00 0.00 ATOM 790 O LEU 95 15.894 42.365 34.782 1.00 0.00 ATOM 791 C LEU 95 16.241 43.382 35.394 1.00 0.00 ATOM 792 N ILE 96 17.470 43.608 35.820 1.00 0.00 ATOM 793 CA ILE 96 18.596 42.739 35.432 1.00 0.00 ATOM 794 CB ILE 96 19.940 43.372 35.798 1.00 0.00 ATOM 795 CG1 ILE 96 20.142 44.619 34.933 1.00 0.00 ATOM 796 CG2 ILE 96 21.102 42.401 35.551 1.00 0.00 ATOM 797 CD1 ILE 96 21.295 45.494 35.413 1.00 0.00 ATOM 798 O ILE 96 18.666 40.345 35.294 1.00 0.00 ATOM 799 C ILE 96 18.398 41.331 35.982 1.00 0.00 ATOM 800 N ARG 97 17.928 41.237 37.222 1.00 0.00 ATOM 801 CA ARG 97 17.704 39.959 37.831 1.00 0.00 ATOM 802 CB ARG 97 17.383 40.079 39.314 1.00 0.00 ATOM 803 CG ARG 97 18.556 40.494 40.189 1.00 0.00 ATOM 804 CD ARG 97 18.318 40.340 41.648 1.00 0.00 ATOM 805 NE ARG 97 17.274 41.200 42.180 1.00 0.00 ATOM 806 CZ ARG 97 17.469 42.464 42.607 1.00 0.00 ATOM 807 NH1 ARG 97 18.667 43.004 42.603 1.00 0.00 ATOM 808 NH2 ARG 97 16.423 43.139 43.056 1.00 0.00 ATOM 809 O ARG 97 16.805 37.993 36.720 1.00 0.00 ATOM 810 C ARG 97 16.625 39.178 37.007 1.00 0.00 ATOM 811 N HIS 98 15.538 39.849 36.643 1.00 0.00 ATOM 812 CA HIS 98 14.478 39.212 35.872 1.00 0.00 ATOM 813 CB HIS 98 13.292 40.066 35.721 1.00 0.00 ATOM 814 CG HIS 98 12.601 40.275 37.038 1.00 0.00 ATOM 815 CD2 HIS 98 12.358 39.421 38.059 1.00 0.00 ATOM 816 ND1 HIS 98 12.097 41.496 37.431 1.00 0.00 ATOM 817 CE1 HIS 98 11.573 41.383 38.641 1.00 0.00 ATOM 818 NE2 HIS 98 11.721 40.136 39.045 1.00 0.00 ATOM 819 O HIS 98 14.705 37.640 34.084 1.00 0.00 ATOM 820 C HIS 98 15.007 38.754 34.517 1.00 0.00 ATOM 821 N ARG 99 15.796 39.596 33.859 1.00 0.00 ATOM 822 CA ARG 99 16.319 39.197 32.556 1.00 0.00 ATOM 823 CB ARG 99 17.034 40.208 31.826 1.00 0.00 ATOM 824 CG ARG 99 16.117 41.330 31.392 1.00 0.00 ATOM 825 CD ARG 99 16.913 42.400 30.676 1.00 0.00 ATOM 826 NE ARG 99 16.080 43.518 30.259 1.00 0.00 ATOM 827 CZ ARG 99 16.547 44.592 29.632 1.00 0.00 ATOM 828 NH1 ARG 99 17.840 44.686 29.355 1.00 0.00 ATOM 829 NH2 ARG 99 15.723 45.573 29.284 1.00 0.00 ATOM 830 O ARG 99 17.120 36.999 31.976 1.00 0.00 ATOM 831 C ARG 99 17.259 37.993 32.695 1.00 0.00 ATOM 832 N ALA 100 18.209 38.069 33.610 1.00 0.00 ATOM 833 CA ALA 100 19.185 36.995 33.809 1.00 0.00 ATOM 834 CB ALA 100 20.062 37.234 35.002 1.00 0.00 ATOM 835 O ALA 100 18.816 34.643 33.435 1.00 0.00 ATOM 836 C ALA 100 18.504 35.651 34.079 1.00 0.00 ATOM 837 N CYS 101 17.634 35.701 35.001 1.00 0.00 ATOM 838 CA CYS 101 16.947 34.467 35.351 1.00 0.00 ATOM 839 CB CYS 101 16.179 34.759 36.634 1.00 0.00 ATOM 840 SG CYS 101 17.440 34.814 37.955 1.00 0.00 ATOM 841 O CYS 101 16.085 32.630 34.045 1.00 0.00 ATOM 842 C CYS 101 16.148 33.852 34.191 1.00 0.00 ATOM 843 N ALA 102 15.555 34.668 33.401 1.00 0.00 ATOM 844 CA ALA 102 14.738 34.228 32.269 1.00 0.00 ATOM 845 CB ALA 102 13.747 35.329 31.927 1.00 0.00 ATOM 846 O ALA 102 15.056 33.499 30.010 1.00 0.00 ATOM 847 C ALA 102 15.565 33.977 31.015 1.00 0.00 ATOM 848 N LEU 103 16.811 34.430 31.006 1.00 0.00 ATOM 849 CA LEU 103 17.684 34.059 29.894 1.00 0.00 ATOM 850 CB LEU 103 19.097 34.632 30.024 1.00 0.00 ATOM 851 CG LEU 103 19.884 34.274 28.764 1.00 0.00 ATOM 852 CD1 LEU 103 19.312 35.002 27.560 1.00 0.00 ATOM 853 CD2 LEU 103 21.309 34.755 28.895 1.00 0.00 ATOM 854 O LEU 103 17.534 31.921 28.804 1.00 0.00 ATOM 855 C LEU 103 17.766 32.523 29.849 1.00 0.00 ATOM 856 N ARG 104 17.839 31.960 31.051 1.00 0.00 ATOM 857 CA ARG 104 17.748 30.508 31.233 1.00 0.00 ATOM 858 CB ARG 104 17.856 30.170 32.725 1.00 0.00 ATOM 859 CG ARG 104 17.767 28.674 32.960 1.00 0.00 ATOM 860 CD ARG 104 17.344 28.343 34.342 1.00 0.00 ATOM 861 NE ARG 104 16.079 28.993 34.720 1.00 0.00 ATOM 862 CZ ARG 104 15.803 29.314 35.959 1.00 0.00 ATOM 863 NH1 ARG 104 16.669 29.040 36.934 1.00 0.00 ATOM 864 NH2 ARG 104 14.708 29.969 36.218 1.00 0.00 ATOM 865 O ARG 104 16.307 29.071 29.938 1.00 0.00 ATOM 866 C ARG 104 16.387 29.997 30.745 1.00 0.00 ATOM 867 N ASP 105 15.303 30.622 31.230 1.00 0.00 ATOM 868 CA ASP 105 13.953 30.223 30.854 1.00 0.00 ATOM 869 CB ASP 105 12.928 31.059 31.623 1.00 0.00 ATOM 870 CG ASP 105 12.843 30.741 33.110 1.00 0.00 ATOM 871 OD1 ASP 105 13.385 29.741 33.515 1.00 0.00 ATOM 872 OD2 ASP 105 12.377 31.575 33.849 1.00 0.00 ATOM 873 O ASP 105 13.212 29.382 28.752 1.00 0.00 ATOM 874 C ASP 105 13.710 30.321 29.375 1.00 0.00 ATOM 875 N THR 106 14.031 31.442 28.814 1.00 0.00 ATOM 876 CA THR 106 13.835 31.652 27.384 1.00 0.00 ATOM 877 CB THR 106 14.294 33.070 27.000 1.00 0.00 ATOM 878 CG2 THR 106 14.086 33.315 25.513 1.00 0.00 ATOM 879 OG1 THR 106 13.544 34.037 27.749 1.00 0.00 ATOM 880 O THR 106 14.004 29.974 25.678 1.00 0.00 ATOM 881 C THR 106 14.590 30.634 26.537 1.00 0.00 ATOM 882 N ALA 107 15.891 30.509 26.780 1.00 0.00 ATOM 883 CA ALA 107 16.731 29.549 26.023 1.00 0.00 ATOM 884 CB ALA 107 18.193 29.628 26.469 1.00 0.00 ATOM 885 O ALA 107 16.052 27.403 25.166 1.00 0.00 ATOM 886 C ALA 107 16.204 28.110 26.162 1.00 0.00 ATOM 887 N TYR 108 15.930 27.692 27.394 1.00 0.00 ATOM 888 CA TYR 108 15.422 26.346 27.638 1.00 0.00 ATOM 889 CB TYR 108 15.250 26.109 29.141 1.00 0.00 ATOM 890 CG TYR 108 14.502 24.808 29.437 1.00 0.00 ATOM 891 CD1 TYR 108 15.112 23.569 29.312 1.00 0.00 ATOM 892 CD2 TYR 108 13.168 24.874 29.808 1.00 0.00 ATOM 893 CE1 TYR 108 14.411 22.407 29.575 1.00 0.00 ATOM 894 CE2 TYR 108 12.455 23.701 30.063 1.00 0.00 ATOM 895 CZ TYR 108 13.076 22.473 29.947 1.00 0.00 ATOM 896 OH TYR 108 12.393 21.358 30.290 1.00 0.00 ATOM 897 O TYR 108 13.870 25.059 26.317 1.00 0.00 ATOM 898 C TYR 108 14.087 26.119 26.905 1.00 0.00 ATOM 899 N ALA 109 13.206 27.114 26.947 1.00 0.00 ATOM 900 CA ALA 109 11.912 27.004 26.284 1.00 0.00 ATOM 901 CB ALA 109 11.058 28.224 26.512 1.00 0.00 ATOM 902 O ALA 109 11.426 25.954 24.182 1.00 0.00 ATOM 903 C ALA 109 12.090 26.800 24.784 1.00 0.00 ATOM 904 N ILE 110 12.981 27.579 24.188 1.00 0.00 ATOM 905 CA ILE 110 13.251 27.469 22.759 1.00 0.00 ATOM 906 CB ILE 110 14.246 28.542 22.290 1.00 0.00 ATOM 907 CG1 ILE 110 13.613 29.930 22.439 1.00 0.00 ATOM 908 CG2 ILE 110 14.646 28.288 20.844 1.00 0.00 ATOM 909 CD1 ILE 110 14.570 31.067 22.175 1.00 0.00 ATOM 910 O ILE 110 13.451 25.462 21.459 1.00 0.00 ATOM 911 C ILE 110 13.846 26.104 22.434 1.00 0.00 ATOM 912 N ILE 111 14.796 25.660 23.251 1.00 0.00 ATOM 913 CA ILE 111 15.436 24.365 23.036 1.00 0.00 ATOM 914 CB ILE 111 16.532 24.119 24.095 1.00 0.00 ATOM 915 CG1 ILE 111 17.685 25.099 23.877 1.00 0.00 ATOM 916 CG2 ILE 111 17.026 22.679 24.017 1.00 0.00 ATOM 917 CD1 ILE 111 18.707 25.101 24.994 1.00 0.00 ATOM 918 O ILE 111 14.343 22.400 22.230 1.00 0.00 ATOM 919 C ILE 111 14.391 23.264 23.101 1.00 0.00 ATOM 920 N LYS 112 13.521 23.340 24.092 1.00 0.00 ATOM 921 CA LYS 112 12.478 22.312 24.249 1.00 0.00 ATOM 922 CB LYS 112 11.654 22.614 25.523 1.00 0.00 ATOM 923 CG LYS 112 10.502 21.648 25.736 1.00 0.00 ATOM 924 CD LYS 112 9.701 21.994 26.986 1.00 0.00 ATOM 925 CE LYS 112 8.520 21.046 27.166 1.00 0.00 ATOM 926 NZ LYS 112 7.726 21.393 28.382 1.00 0.00 ATOM 927 O LYS 112 11.177 21.166 22.609 1.00 0.00 ATOM 928 C LYS 112 11.575 22.247 23.044 1.00 0.00 ATOM 929 N GLU 113 11.245 23.410 22.492 1.00 0.00 ATOM 930 CA GLU 113 10.378 23.473 21.320 1.00 0.00 ATOM 931 CB GLU 113 9.964 24.905 20.977 1.00 0.00 ATOM 932 CG GLU 113 8.989 25.531 21.965 1.00 0.00 ATOM 933 CD GLU 113 8.738 26.977 21.640 1.00 0.00 ATOM 934 OE1 GLU 113 9.355 27.479 20.734 1.00 0.00 ATOM 935 OE2 GLU 113 7.846 27.551 22.225 1.00 0.00 ATOM 936 O GLU 113 10.634 21.786 19.626 1.00 0.00 ATOM 937 C GLU 113 11.089 22.805 20.144 1.00 0.00 ATOM 938 N GLU 114 12.283 23.293 19.885 1.00 0.00 ATOM 939 CA GLU 114 13.012 22.896 18.682 1.00 0.00 ATOM 940 CB GLU 114 13.766 24.183 18.153 1.00 0.00 ATOM 941 CG GLU 114 12.816 25.315 17.767 1.00 0.00 ATOM 942 CD GLU 114 11.660 24.825 16.896 1.00 0.00 ATOM 943 OE1 GLU 114 10.492 24.911 17.335 1.00 0.00 ATOM 944 OE2 GLU 114 11.925 24.341 15.773 1.00 0.00 ATOM 945 O GLU 114 14.188 20.972 17.786 1.00 0.00 ATOM 946 C GLU 114 13.795 21.572 18.791 1.00 0.00 ATOM 947 N LEU 115 14.047 21.094 19.978 1.00 0.00 ATOM 948 CA LEU 115 14.944 19.956 20.160 1.00 0.00 ATOM 949 CB LEU 115 15.216 19.680 21.612 1.00 0.00 ATOM 950 CG LEU 115 16.128 18.490 21.931 1.00 0.00 ATOM 951 CD1 LEU 115 17.454 18.611 21.171 1.00 0.00 ATOM 952 CD2 LEU 115 16.369 18.443 23.428 1.00 0.00 ATOM 953 O LEU 115 15.063 17.982 18.883 1.00 0.00 ATOM 954 C LEU 115 14.336 18.688 19.567 1.00 0.00 ATOM 955 N ASP 116 13.089 18.406 19.926 1.00 0.00 ATOM 956 CA ASP 116 12.420 17.146 19.571 1.00 0.00 ATOM 957 CB ASP 116 12.633 16.852 18.080 1.00 0.00 ATOM 958 CG ASP 116 11.747 15.733 17.563 1.00 0.00 ATOM 959 OD1 ASP 116 11.920 14.578 18.004 1.00 0.00 ATOM 960 OD2 ASP 116 10.871 16.015 16.718 1.00 0.00 ATOM 961 O ASP 116 14.190 15.964 20.680 1.00 0.00 ATOM 962 C ASP 116 12.981 16.033 20.451 1.00 0.00 ATOM 963 N GLU 117 12.104 15.165 20.942 1.00 0.00 ATOM 964 CA GLU 117 12.529 14.094 21.770 1.00 0.00 ATOM 965 CB GLU 117 11.260 13.391 22.256 1.00 0.00 ATOM 966 CG GLU 117 10.454 14.180 23.276 1.00 0.00 ATOM 967 CD GLU 117 9.168 13.477 23.620 1.00 0.00 ATOM 968 OE1 GLU 117 8.893 12.461 23.030 1.00 0.00 ATOM 969 OE2 GLU 117 8.518 13.894 24.549 1.00 0.00 ATOM 970 O GLU 117 14.404 12.592 21.614 1.00 0.00 ATOM 971 C GLU 117 13.435 13.092 21.040 1.00 0.00 ATOM 972 N ASP 118 13.116 12.805 19.782 1.00 0.00 ATOM 973 CA ASP 118 13.911 11.868 18.996 1.00 0.00 ATOM 974 CB ASP 118 13.490 11.609 17.622 1.00 0.00 ATOM 975 CG ASP 118 12.317 10.627 17.607 1.00 0.00 ATOM 976 OD1 ASP 118 12.142 9.888 18.578 1.00 0.00 ATOM 977 OD2 ASP 118 11.564 10.509 16.652 1.00 0.00 ATOM 978 O ASP 118 16.298 11.625 18.970 1.00 0.00 ATOM 979 C ASP 118 15.338 12.382 18.831 1.00 0.00 ATOM 980 N PHE 119 15.474 13.671 18.533 1.00 0.00 ATOM 981 CA PHE 119 16.767 14.249 18.360 1.00 0.00 ATOM 982 CB PHE 119 16.737 15.723 18.090 1.00 0.00 ATOM 983 CG PHE 119 16.632 16.034 16.619 1.00 0.00 ATOM 984 CD1 PHE 119 15.500 16.657 16.098 1.00 0.00 ATOM 985 CD2 PHE 119 17.658 15.679 15.747 1.00 0.00 ATOM 986 CE1 PHE 119 15.392 16.919 14.728 1.00 0.00 ATOM 987 CE2 PHE 119 17.560 15.936 14.376 1.00 0.00 ATOM 988 CZ PHE 119 16.425 16.556 13.867 1.00 0.00 ATOM 989 O PHE 119 18.816 13.834 19.567 1.00 0.00 ATOM 990 C PHE 119 17.616 14.117 19.627 1.00 0.00 ATOM 991 N GLU 120 16.996 14.400 20.767 1.00 0.00 ATOM 992 CA GLU 120 17.674 14.328 22.057 1.00 0.00 ATOM 993 CB GLU 120 16.723 14.648 23.212 1.00 0.00 ATOM 994 CG GLU 120 17.378 14.640 24.587 1.00 0.00 ATOM 995 CD GLU 120 16.393 15.010 25.661 1.00 0.00 ATOM 996 OE1 GLU 120 15.261 15.277 25.337 1.00 0.00 ATOM 997 OE2 GLU 120 16.739 14.917 26.815 1.00 0.00 ATOM 998 O GLU 120 19.403 12.779 22.697 1.00 0.00 ATOM 999 C GLU 120 18.272 12.938 22.253 1.00 0.00 ATOM 1000 N GLN 121 17.480 11.902 21.955 1.00 0.00 ATOM 1001 CA GLN 121 17.952 10.523 22.062 1.00 0.00 ATOM 1002 CB GLN 121 16.807 9.557 21.740 1.00 0.00 ATOM 1003 CG GLN 121 15.737 9.482 22.816 1.00 0.00 ATOM 1004 CD GLN 121 14.575 8.596 22.416 1.00 0.00 ATOM 1005 OE1 GLN 121 14.522 8.087 21.292 1.00 0.00 ATOM 1006 NE2 GLN 121 13.631 8.407 23.332 1.00 0.00 ATOM 1007 O GLN 121 20.109 9.608 21.517 1.00 0.00 ATOM 1008 C GLN 121 19.152 10.290 21.147 1.00 0.00 ATOM 1009 N LEU 122 19.098 10.856 19.941 1.00 0.00 ATOM 1010 CA LEU 122 20.181 10.741 18.971 1.00 0.00 ATOM 1011 CB LEU 122 19.774 11.379 17.638 1.00 0.00 ATOM 1012 CG LEU 122 18.677 10.635 16.863 1.00 0.00 ATOM 1013 CD1 LEU 122 18.236 11.457 15.662 1.00 0.00 ATOM 1014 CD2 LEU 122 19.201 9.274 16.425 1.00 0.00 ATOM 1015 O LEU 122 22.512 10.735 19.538 1.00 0.00 ATOM 1016 C LEU 122 21.440 11.340 19.588 1.00 0.00 ATOM 1017 N CYS 123 21.309 12.528 20.172 1.00 0.00 ATOM 1018 CA CYS 123 22.460 13.207 20.806 1.00 0.00 ATOM 1019 CB CYS 123 22.112 14.593 21.210 1.00 0.00 ATOM 1020 SG CYS 123 23.554 15.527 21.806 1.00 0.00 ATOM 1021 O CYS 123 24.153 12.287 22.275 1.00 0.00 ATOM 1022 C CYS 123 22.953 12.345 22.006 1.00 0.00 ATOM 1023 N GLU 124 22.026 11.693 22.701 1.00 0.00 ATOM 1024 CA GLU 124 22.385 10.857 23.840 1.00 0.00 ATOM 1025 CB GLU 124 21.135 10.248 24.479 1.00 0.00 ATOM 1026 CG GLU 124 20.325 11.220 25.326 1.00 0.00 ATOM 1027 CD GLU 124 19.053 10.585 25.819 1.00 0.00 ATOM 1028 OE1 GLU 124 18.786 9.470 25.447 1.00 0.00 ATOM 1029 OE2 GLU 124 18.406 11.174 26.653 1.00 0.00 ATOM 1030 O GLU 124 24.443 9.652 23.826 1.00 0.00 ATOM 1031 C GLU 124 23.311 9.753 23.344 1.00 0.00 ATOM 1032 N GLU 125 22.904 9.148 22.236 1.00 0.00 ATOM 1033 CA GLU 125 23.682 8.084 21.593 1.00 0.00 ATOM 1034 CB GLU 125 22.853 7.402 20.501 1.00 0.00 ATOM 1035 CG GLU 125 21.696 6.565 21.025 1.00 0.00 ATOM 1036 CD GLU 125 20.863 6.021 19.895 1.00 0.00 ATOM 1037 OE1 GLU 125 21.144 6.343 18.766 1.00 0.00 ATOM 1038 OE2 GLU 125 20.022 5.192 20.149 1.00 0.00 ATOM 1039 O GLU 125 26.020 7.929 21.077 1.00 0.00 ATOM 1040 C GLU 125 24.992 8.603 21.010 1.00 0.00 ATOM 1041 N ILE 126 24.953 9.804 20.441 1.00 0.00 ATOM 1042 CA ILE 126 26.159 10.411 19.845 1.00 0.00 ATOM 1043 CB ILE 126 25.762 11.756 19.145 1.00 0.00 ATOM 1044 CG1 ILE 126 24.840 11.481 17.957 1.00 0.00 ATOM 1045 CG2 ILE 126 27.012 12.495 18.672 1.00 0.00 ATOM 1046 CD1 ILE 126 24.149 12.718 17.412 1.00 0.00 ATOM 1047 O ILE 126 28.397 10.370 20.731 1.00 0.00 ATOM 1048 C ILE 126 27.219 10.670 20.926 1.00 0.00 ATOM 1049 N GLN 127 26.794 11.224 22.057 1.00 0.00 ATOM 1050 CA GLN 127 27.715 11.511 23.151 1.00 0.00 ATOM 1051 CB GLN 127 26.952 12.185 24.295 1.00 0.00 ATOM 1052 CG GLN 127 27.840 12.717 25.407 1.00 0.00 ATOM 1053 CD GLN 127 28.279 11.628 26.368 1.00 0.00 ATOM 1054 OE1 GLN 127 27.523 10.696 26.662 1.00 0.00 ATOM 1055 NE2 GLN 127 29.504 11.742 26.869 1.00 0.00 ATOM 1056 O GLN 127 29.529 10.186 23.935 1.00 0.00 ATOM 1057 C GLN 127 28.332 10.228 23.676 1.00 0.00 ATOM 1058 N GLU 128 27.537 9.164 23.839 1.00 0.00 ATOM 1059 CA GLU 128 28.071 7.887 24.295 1.00 0.00 ATOM 1060 CB GLU 128 26.959 6.906 24.646 1.00 0.00 ATOM 1061 CG GLU 128 27.501 5.657 25.336 1.00 0.00 ATOM 1062 CD GLU 128 28.082 5.920 26.721 1.00 0.00 ATOM 1063 OE1 GLU 128 27.620 6.822 27.436 1.00 0.00 ATOM 1064 OE2 GLU 128 28.998 5.170 27.108 1.00 0.00 ATOM 1065 O GLU 128 30.161 6.850 23.633 1.00 0.00 ATOM 1066 C GLU 128 29.064 7.310 23.269 1.00 0.00 ATOM 1067 N SER 129 28.731 7.418 22.005 1.00 0.00 ATOM 1068 CA SER 129 29.651 6.893 20.979 1.00 0.00 ATOM 1069 CB SER 129 29.062 6.896 19.610 1.00 0.00 ATOM 1070 OG SER 129 28.823 8.166 19.092 1.00 0.00 ATOM 1071 O SER 129 31.996 7.125 20.869 1.00 0.00 ATOM 1072 C SER 129 30.925 7.733 20.939 1.00 0.00 ATOM 1073 N ARG 130 30.885 9.060 20.963 1.00 0.00 ATOM 1074 CA ARG 130 32.090 9.888 20.928 1.00 0.00 ATOM 1075 CB ARG 130 31.902 11.212 20.309 1.00 0.00 ATOM 1076 CG ARG 130 32.000 11.080 18.797 1.00 0.00 ATOM 1077 CD ARG 130 31.530 12.292 18.040 1.00 0.00 ATOM 1078 NE ARG 130 32.214 13.499 18.475 1.00 0.00 ATOM 1079 CZ ARG 130 31.963 14.712 18.006 1.00 0.00 ATOM 1080 NH1 ARG 130 31.034 14.871 17.084 1.00 0.00 ATOM 1081 NH2 ARG 130 32.625 15.745 18.470 1.00 0.00 ATOM 1082 O ARG 130 32.099 9.164 23.216 1.00 0.00 ATOM 1083 C ARG 130 32.632 9.932 22.380 1.00 0.00 TER END