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 5 Thu Jul 24 13:25:58 2008 MODEL 5 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 31.313 17.297 23.954 1.00 0.00 ATOM 2 CA MET 1 31.901 18.158 22.929 1.00 0.00 ATOM 3 CB MET 1 32.321 19.499 23.533 1.00 0.00 ATOM 4 CG MET 1 31.157 20.362 23.997 1.00 0.00 ATOM 5 SD MET 1 31.695 21.910 24.747 1.00 0.00 ATOM 6 CE MET 1 32.311 22.788 23.313 1.00 0.00 ATOM 7 O MET 1 34.126 18.329 22.049 1.00 0.00 ATOM 8 C MET 1 33.137 17.617 22.217 1.00 0.00 ATOM 9 N GLU 2 33.076 16.356 21.800 1.00 0.00 ATOM 10 CA GLU 2 34.206 15.729 21.099 1.00 0.00 ATOM 11 CB GLU 2 33.878 14.290 20.695 1.00 0.00 ATOM 12 CG GLU 2 33.805 13.318 21.861 1.00 0.00 ATOM 13 CD GLU 2 33.357 11.933 21.438 1.00 0.00 ATOM 14 OE1 GLU 2 33.035 11.751 20.245 1.00 0.00 ATOM 15 OE2 GLU 2 33.330 11.028 22.300 1.00 0.00 ATOM 16 O GLU 2 35.750 16.721 19.531 1.00 0.00 ATOM 17 C GLU 2 34.571 16.495 19.809 1.00 0.00 ATOM 18 N ARG 3 33.561 16.886 19.039 1.00 0.00 ATOM 19 CA ARG 3 33.796 17.619 17.800 1.00 0.00 ATOM 20 CB ARG 3 32.341 17.075 16.966 1.00 0.00 ATOM 21 CG ARG 3 31.743 15.699 17.213 1.00 0.00 ATOM 22 CD ARG 3 30.335 15.604 16.640 1.00 0.00 ATOM 23 NE ARG 3 29.387 16.445 17.374 1.00 0.00 ATOM 24 CZ ARG 3 28.105 16.603 17.050 1.00 0.00 ATOM 25 NH1 ARG 3 27.593 15.979 15.992 1.00 0.00 ATOM 26 NH2 ARG 3 27.327 17.387 17.789 1.00 0.00 ATOM 27 O ARG 3 34.287 19.813 16.993 1.00 0.00 ATOM 28 C ARG 3 34.048 19.099 17.968 1.00 0.00 ATOM 29 N ALA 4 33.997 19.569 19.210 1.00 0.00 ATOM 30 CA ALA 4 34.224 20.981 19.494 1.00 0.00 ATOM 31 CB ALA 4 32.982 21.603 20.114 1.00 0.00 ATOM 32 O ALA 4 35.512 20.319 21.340 1.00 0.00 ATOM 33 C ALA 4 35.371 21.113 20.439 1.00 0.00 ATOM 34 N SER 5 36.179 22.153 20.240 1.00 0.00 ATOM 35 CA SER 5 37.237 22.466 21.178 1.00 0.00 ATOM 36 CB SER 5 38.578 22.615 20.454 1.00 0.00 ATOM 37 OG SER 5 39.596 23.028 21.348 1.00 0.00 ATOM 38 O SER 5 36.660 24.799 21.243 1.00 0.00 ATOM 39 C SER 5 36.921 23.800 21.907 1.00 0.00 ATOM 40 N LEU 6 37.065 23.828 23.220 1.00 0.00 ATOM 41 CA LEU 6 36.648 24.989 24.032 1.00 0.00 ATOM 42 CB LEU 6 36.551 24.600 25.509 1.00 0.00 ATOM 43 CG LEU 6 35.499 23.549 25.866 1.00 0.00 ATOM 44 CD1 LEU 6 35.606 23.157 27.331 1.00 0.00 ATOM 45 CD2 LEU 6 34.096 24.084 25.619 1.00 0.00 ATOM 46 O LEU 6 38.810 25.929 24.123 1.00 0.00 ATOM 47 C LEU 6 37.645 26.140 23.913 1.00 0.00 ATOM 48 N ASN 7 37.210 27.326 23.530 1.00 0.00 ATOM 49 CA ASN 7 38.185 28.404 23.504 1.00 0.00 ATOM 50 CB ASN 7 38.048 29.222 22.218 1.00 0.00 ATOM 51 CG ASN 7 39.109 30.297 22.095 1.00 0.00 ATOM 52 ND2 ASN 7 38.817 31.327 21.310 1.00 0.00 ATOM 53 OD1 ASN 7 40.176 30.202 22.700 1.00 0.00 ATOM 54 O ASN 7 38.765 29.343 25.617 1.00 0.00 ATOM 55 C ASN 7 37.939 29.301 24.726 1.00 0.00 ATOM 56 N ARG 8 36.810 30.014 24.775 1.00 0.00 ATOM 57 CA ARG 8 36.543 30.860 25.955 1.00 0.00 ATOM 58 CB ARG 8 37.443 32.096 25.909 1.00 0.00 ATOM 59 CG ARG 8 37.166 33.023 24.735 1.00 0.00 ATOM 60 CD ARG 8 38.095 34.225 24.750 1.00 0.00 ATOM 61 NE ARG 8 37.974 35.025 23.533 1.00 0.00 ATOM 62 CZ ARG 8 37.067 35.978 23.352 1.00 0.00 ATOM 63 NH1 ARG 8 37.033 36.653 22.211 1.00 0.00 ATOM 64 NH2 ARG 8 36.195 36.254 24.312 1.00 0.00 ATOM 65 O ARG 8 34.392 31.347 25.003 1.00 0.00 ATOM 66 C ARG 8 35.086 31.354 26.015 1.00 0.00 ATOM 67 N ILE 9 34.648 31.829 27.184 1.00 0.00 ATOM 68 CA ILE 9 33.273 32.331 27.379 1.00 0.00 ATOM 69 CB ILE 9 32.712 31.862 28.707 1.00 0.00 ATOM 70 CG1 ILE 9 32.609 30.333 28.712 1.00 0.00 ATOM 71 CG2 ILE 9 31.276 32.439 28.893 1.00 0.00 ATOM 72 CD1 ILE 9 32.273 29.735 30.075 1.00 0.00 ATOM 73 O ILE 9 34.136 34.394 28.071 1.00 0.00 ATOM 74 C ILE 9 33.313 33.841 27.357 1.00 0.00 ATOM 75 N GLY 10 32.501 34.513 26.550 1.00 0.00 ATOM 76 CA GLY 10 32.561 35.988 26.460 1.00 0.00 ATOM 77 O GLY 10 30.349 35.943 27.389 1.00 0.00 ATOM 78 C GLY 10 31.323 36.630 27.078 1.00 0.00 ATOM 79 N LYS 11 31.362 37.947 27.252 1.00 0.00 ATOM 80 CA LYS 11 30.230 38.670 27.834 1.00 0.00 ATOM 81 CB LYS 11 30.663 40.065 28.286 1.00 0.00 ATOM 82 CG LYS 11 31.634 40.066 29.455 1.00 0.00 ATOM 83 CD LYS 11 32.006 41.482 29.864 1.00 0.00 ATOM 84 CE LYS 11 32.965 41.482 31.044 1.00 0.00 ATOM 85 NZ LYS 11 33.349 42.864 31.446 1.00 0.00 ATOM 86 O LYS 11 29.455 38.630 25.614 1.00 0.00 ATOM 87 C LYS 11 29.140 38.729 26.756 1.00 0.00 ATOM 88 N ASP 12 27.855 38.841 27.102 1.00 0.00 ATOM 89 CA ASP 12 27.408 38.821 28.497 1.00 0.00 ATOM 90 CB ASP 12 26.161 39.685 28.702 1.00 0.00 ATOM 91 CG ASP 12 26.472 41.169 28.688 1.00 0.00 ATOM 92 OD1 ASP 12 27.668 41.527 28.730 1.00 0.00 ATOM 93 OD2 ASP 12 25.519 41.975 28.635 1.00 0.00 ATOM 94 O ASP 12 26.460 36.650 28.123 1.00 0.00 ATOM 95 C ASP 12 26.944 37.438 28.937 1.00 0.00 ATOM 96 N VAL 13 27.091 37.144 30.225 1.00 0.00 ATOM 97 CA VAL 13 26.675 35.839 30.765 1.00 0.00 ATOM 98 CB VAL 13 27.837 35.116 31.473 1.00 0.00 ATOM 99 CG1 VAL 13 27.370 33.785 32.037 1.00 0.00 ATOM 100 CG2 VAL 13 28.974 34.854 30.498 1.00 0.00 ATOM 101 O VAL 13 25.616 36.973 32.638 1.00 0.00 ATOM 102 C VAL 13 25.473 36.162 31.722 1.00 0.00 ATOM 103 N TYR 14 24.327 35.529 31.493 1.00 0.00 ATOM 104 CA TYR 14 23.155 35.760 32.328 1.00 0.00 ATOM 105 CB TYR 14 21.921 35.842 31.429 1.00 0.00 ATOM 106 CG TYR 14 21.858 37.098 30.588 1.00 0.00 ATOM 107 CD1 TYR 14 22.350 37.110 29.290 1.00 0.00 ATOM 108 CD2 TYR 14 21.307 38.267 31.097 1.00 0.00 ATOM 109 CE1 TYR 14 22.296 38.255 28.515 1.00 0.00 ATOM 110 CE2 TYR 14 21.245 39.419 30.338 1.00 0.00 ATOM 111 CZ TYR 14 21.746 39.404 29.036 1.00 0.00 ATOM 112 OH TYR 14 21.691 40.543 28.267 1.00 0.00 ATOM 113 O TYR 14 23.039 33.425 32.867 1.00 0.00 ATOM 114 C TYR 14 22.931 34.582 33.271 1.00 0.00 ATOM 115 N TYR 15 22.617 34.881 34.528 1.00 0.00 ATOM 116 CA TYR 15 22.390 33.864 35.465 1.00 0.00 ATOM 117 CB TYR 15 23.668 33.744 36.352 1.00 0.00 ATOM 118 CG TYR 15 23.831 34.906 37.279 1.00 0.00 ATOM 119 CD1 TYR 15 23.509 34.802 38.621 1.00 0.00 ATOM 120 CD2 TYR 15 24.303 36.122 36.822 1.00 0.00 ATOM 121 CE1 TYR 15 23.611 35.904 39.467 1.00 0.00 ATOM 122 CE2 TYR 15 24.404 37.234 37.665 1.00 0.00 ATOM 123 CZ TYR 15 24.088 37.097 38.996 1.00 0.00 ATOM 124 OH TYR 15 24.200 38.216 39.812 1.00 0.00 ATOM 125 O TYR 15 20.487 35.027 36.442 1.00 0.00 ATOM 126 C TYR 15 20.959 33.961 36.010 1.00 0.00 ATOM 127 N MET 16 20.229 32.877 35.864 1.00 0.00 ATOM 128 CA MET 16 18.924 32.852 36.342 1.00 0.00 ATOM 129 CB MET 16 17.976 32.291 35.280 1.00 0.00 ATOM 130 CG MET 16 16.515 32.279 35.698 1.00 0.00 ATOM 131 SD MET 16 15.426 31.650 34.404 1.00 0.00 ATOM 132 CE MET 16 15.379 33.053 33.292 1.00 0.00 ATOM 133 O MET 16 19.396 30.786 37.466 1.00 0.00 ATOM 134 C MET 16 18.838 31.883 37.516 1.00 0.00 ATOM 135 N GLN 17 18.139 32.289 38.571 1.00 0.00 ATOM 136 CA GLN 17 17.989 31.446 39.743 1.00 0.00 ATOM 137 CB GLN 17 18.223 32.177 41.085 1.00 0.00 ATOM 138 CG GLN 17 19.642 32.627 41.363 1.00 0.00 ATOM 139 CD GLN 17 19.769 33.307 42.711 1.00 0.00 ATOM 140 OE1 GLN 17 19.132 34.328 42.968 1.00 0.00 ATOM 141 NE2 GLN 17 20.592 32.736 43.586 1.00 0.00 ATOM 142 O GLN 17 15.599 31.558 39.482 1.00 0.00 ATOM 143 C GLN 17 16.580 30.837 39.663 1.00 0.00 ATOM 144 N ILE 18 16.491 29.518 39.798 1.00 0.00 ATOM 145 CA ILE 18 15.202 28.838 39.742 1.00 0.00 ATOM 146 CB ILE 18 15.018 28.045 38.415 1.00 0.00 ATOM 147 CG1 ILE 18 14.858 29.022 37.242 1.00 0.00 ATOM 148 CG2 ILE 18 13.798 27.124 38.516 1.00 0.00 ATOM 149 CD1 ILE 18 14.517 28.375 35.955 1.00 0.00 ATOM 150 O ILE 18 15.999 27.046 41.116 1.00 0.00 ATOM 151 C ILE 18 15.072 27.815 40.856 1.00 0.00 ATOM 152 N LYS 19 13.919 27.802 41.517 1.00 0.00 ATOM 153 CA LYS 19 13.681 26.860 42.604 1.00 0.00 ATOM 154 CB LYS 19 12.515 27.317 43.483 1.00 0.00 ATOM 155 CG LYS 19 12.786 28.594 44.262 1.00 0.00 ATOM 156 CD LYS 19 11.667 28.888 45.248 1.00 0.00 ATOM 157 CE LYS 19 10.429 29.409 44.538 1.00 0.00 ATOM 158 NZ LYS 19 9.351 29.774 45.498 1.00 0.00 ATOM 159 O LYS 19 13.176 25.413 40.758 1.00 0.00 ATOM 160 C LYS 19 13.341 25.513 41.974 1.00 0.00 ATOM 161 N GLY 20 13.236 24.480 42.804 1.00 0.00 ATOM 162 CA GLY 20 12.910 23.139 42.311 1.00 0.00 ATOM 163 O GLY 20 11.402 22.291 40.649 1.00 0.00 ATOM 164 C GLY 20 11.587 23.104 41.556 1.00 0.00 ATOM 165 N GLU 21 10.666 23.988 41.928 1.00 0.00 ATOM 166 CA GLU 21 9.366 24.047 41.273 1.00 0.00 ATOM 167 CB GLU 21 8.221 24.377 42.233 1.00 0.00 ATOM 168 CG GLU 21 7.985 23.324 43.303 1.00 0.00 ATOM 169 CD GLU 21 6.855 23.692 44.245 1.00 0.00 ATOM 170 OE1 GLU 21 6.213 24.739 44.020 1.00 0.00 ATOM 171 OE2 GLU 21 6.615 22.934 45.209 1.00 0.00 ATOM 172 O GLU 21 8.248 24.804 39.290 1.00 0.00 ATOM 173 C GLU 21 9.267 24.850 39.980 1.00 0.00 ATOM 174 N GLY 22 10.326 25.582 39.653 1.00 0.00 ATOM 175 CA GLY 22 10.345 26.391 38.433 1.00 0.00 ATOM 176 O GLY 22 10.021 28.580 37.548 1.00 0.00 ATOM 177 C GLY 22 10.157 27.877 38.550 1.00 0.00 ATOM 178 N THR 23 10.148 28.373 39.784 1.00 0.00 ATOM 179 CA THR 23 9.977 29.800 40.023 1.00 0.00 ATOM 180 CB THR 23 8.515 30.015 40.456 1.00 0.00 ATOM 181 CG2 THR 23 8.231 31.495 40.667 1.00 0.00 ATOM 182 OG1 THR 23 7.635 29.515 39.443 1.00 0.00 ATOM 183 O THR 23 11.250 29.518 42.044 1.00 0.00 ATOM 184 C THR 23 10.920 30.278 41.133 1.00 0.00 ATOM 185 N ILE 24 11.350 31.535 41.050 1.00 0.00 ATOM 186 CA ILE 24 12.248 32.093 42.053 1.00 0.00 ATOM 187 CB ILE 24 13.491 32.764 41.443 1.00 0.00 ATOM 188 CG1 ILE 24 14.352 33.356 42.568 1.00 0.00 ATOM 189 CG2 ILE 24 13.184 33.804 40.324 1.00 0.00 ATOM 190 CD1 ILE 24 15.806 33.573 42.202 1.00 0.00 ATOM 191 O ILE 24 10.568 33.846 42.069 1.00 0.00 ATOM 192 C ILE 24 11.511 33.270 42.680 1.00 0.00 ATOM 193 N GLU 25 12.006 33.665 43.872 1.00 0.00 ATOM 194 CA GLU 25 11.481 34.793 44.609 1.00 0.00 ATOM 195 CB GLU 25 11.267 35.988 43.679 1.00 0.00 ATOM 196 CG GLU 25 12.546 36.541 43.074 1.00 0.00 ATOM 197 CD GLU 25 12.289 37.692 42.121 1.00 0.00 ATOM 198 OE1 GLU 25 11.115 38.085 41.965 1.00 0.00 ATOM 199 OE2 GLU 25 13.264 38.201 41.528 1.00 0.00 ATOM 200 O GLU 25 10.090 35.755 46.308 1.00 0.00 ATOM 201 C GLU 25 10.272 34.810 45.542 1.00 0.00 ATOM 202 N LYS 26 9.286 33.736 45.555 1.00 0.00 ATOM 203 CA LYS 26 8.104 33.704 46.413 1.00 0.00 ATOM 204 CB LYS 26 7.044 32.858 45.705 1.00 0.00 ATOM 205 CG LYS 26 5.704 32.817 46.420 1.00 0.00 ATOM 206 CD LYS 26 4.689 31.991 45.644 1.00 0.00 ATOM 207 CE LYS 26 3.353 31.936 46.368 1.00 0.00 ATOM 208 NZ LYS 26 2.359 31.105 45.635 1.00 0.00 ATOM 209 O LYS 26 8.485 33.745 48.782 1.00 0.00 ATOM 210 C LYS 26 8.688 33.165 47.714 1.00 0.00 ATOM 211 N VAL 27 9.415 32.055 47.624 1.00 0.00 ATOM 212 CA VAL 27 10.032 31.441 48.816 1.00 0.00 ATOM 213 CB VAL 27 9.555 30.033 49.212 1.00 0.00 ATOM 214 CG1 VAL 27 8.069 30.046 49.541 1.00 0.00 ATOM 215 CG2 VAL 27 9.785 29.052 48.074 1.00 0.00 ATOM 216 O VAL 27 11.948 31.399 47.361 1.00 0.00 ATOM 217 C VAL 27 11.513 31.391 48.550 1.00 0.00 ATOM 218 N ASP 28 12.300 31.314 49.618 1.00 0.00 ATOM 219 CA ASP 28 13.744 31.531 49.567 1.00 0.00 ATOM 220 CB ASP 28 14.285 31.869 50.958 1.00 0.00 ATOM 221 CG ASP 28 13.759 33.191 51.483 1.00 0.00 ATOM 222 OD1 ASP 28 13.873 34.204 50.761 1.00 0.00 ATOM 223 OD2 ASP 28 13.230 33.213 52.614 1.00 0.00 ATOM 224 O ASP 28 15.806 30.625 48.602 1.00 0.00 ATOM 225 C ASP 28 14.637 30.399 49.075 1.00 0.00 ATOM 226 N GLY 29 14.155 29.178 49.288 1.00 0.00 ATOM 227 CA GLY 29 14.963 28.012 49.024 1.00 0.00 ATOM 228 O GLY 29 14.443 27.853 46.631 1.00 0.00 ATOM 229 C GLY 29 15.333 27.899 47.520 1.00 0.00 ATOM 230 N ARG 30 16.632 27.805 47.290 1.00 0.00 ATOM 231 CA ARG 30 17.165 27.781 45.929 1.00 0.00 ATOM 232 CB ARG 30 18.493 28.573 45.873 1.00 0.00 ATOM 233 CG ARG 30 18.411 30.064 46.180 1.00 0.00 ATOM 234 CD ARG 30 17.687 30.838 45.092 1.00 0.00 ATOM 235 NE ARG 30 17.644 32.273 45.369 1.00 0.00 ATOM 236 CZ ARG 30 16.649 32.891 45.995 1.00 0.00 ATOM 237 NH1 ARG 30 15.593 32.211 46.437 1.00 0.00 ATOM 238 NH2 ARG 30 16.706 34.200 46.195 1.00 0.00 ATOM 239 O ARG 30 18.227 25.632 46.047 1.00 0.00 ATOM 240 C ARG 30 17.438 26.361 45.443 1.00 0.00 ATOM 241 N ASN 31 16.786 25.970 44.353 1.00 0.00 ATOM 242 CA ASN 31 16.974 24.669 43.823 1.00 0.00 ATOM 243 CB ASN 31 15.754 24.256 42.996 1.00 0.00 ATOM 244 CG ASN 31 15.880 22.855 42.433 1.00 0.00 ATOM 245 ND2 ASN 31 15.776 21.856 43.302 1.00 0.00 ATOM 246 OD1 ASN 31 16.069 22.674 41.229 1.00 0.00 ATOM 247 O ASN 31 18.917 23.572 42.991 1.00 0.00 ATOM 248 C ASN 31 18.179 24.556 42.934 1.00 0.00 ATOM 249 N LEU 32 18.390 25.568 42.098 1.00 0.00 ATOM 250 CA LEU 32 19.531 25.572 41.188 1.00 0.00 ATOM 251 CB LEU 32 19.452 24.392 40.218 1.00 0.00 ATOM 252 CG LEU 32 18.220 24.338 39.314 1.00 0.00 ATOM 253 CD1 LEU 32 18.388 25.267 38.120 1.00 0.00 ATOM 254 CD2 LEU 32 17.999 22.926 38.790 1.00 0.00 ATOM 255 O LEU 32 18.842 27.785 40.651 1.00 0.00 ATOM 256 C LEU 32 19.587 26.840 40.391 1.00 0.00 ATOM 257 N ARG 33 20.478 26.873 39.406 1.00 0.00 ATOM 258 CA ARG 33 20.624 28.051 38.559 1.00 0.00 ATOM 259 CB ARG 33 21.943 28.709 38.971 1.00 0.00 ATOM 260 CG ARG 33 21.961 29.215 40.405 1.00 0.00 ATOM 261 CD ARG 33 23.268 29.924 40.722 1.00 0.00 ATOM 262 NE ARG 33 23.284 30.459 42.083 1.00 0.00 ATOM 263 CZ ARG 33 24.284 31.168 42.594 1.00 0.00 ATOM 264 NH1 ARG 33 24.211 31.613 43.842 1.00 0.00 ATOM 265 NH2 ARG 33 25.355 31.431 41.858 1.00 0.00 ATOM 266 O ARG 33 21.024 26.449 36.746 1.00 0.00 ATOM 267 C ARG 33 20.699 27.647 37.089 1.00 0.00 ATOM 268 N ASN 34 20.468 28.604 36.215 1.00 0.00 ATOM 269 CA ASN 34 20.734 28.395 34.791 1.00 0.00 ATOM 270 CB ASN 34 19.393 28.404 34.009 1.00 0.00 ATOM 271 CG ASN 34 18.617 27.114 34.311 1.00 0.00 ATOM 272 ND2 ASN 34 19.079 26.082 33.649 1.00 0.00 ATOM 273 OD1 ASN 34 17.722 27.152 35.181 1.00 0.00 ATOM 274 O ASN 34 21.329 30.702 34.682 1.00 0.00 ATOM 275 C ASN 34 21.563 29.566 34.298 1.00 0.00 ATOM 276 N TYR 35 22.540 29.274 33.481 1.00 0.00 ATOM 277 CA TYR 35 23.430 30.314 32.975 1.00 0.00 ATOM 278 CB TYR 35 24.893 30.035 33.330 1.00 0.00 ATOM 279 CG TYR 35 25.181 30.071 34.813 1.00 0.00 ATOM 280 CD1 TYR 35 25.097 28.918 35.582 1.00 0.00 ATOM 281 CD2 TYR 35 25.535 31.260 35.439 1.00 0.00 ATOM 282 CE1 TYR 35 25.360 28.942 36.939 1.00 0.00 ATOM 283 CE2 TYR 35 25.800 31.301 36.795 1.00 0.00 ATOM 284 CZ TYR 35 25.710 30.129 37.544 1.00 0.00 ATOM 285 OH TYR 35 25.970 30.157 38.895 1.00 0.00 ATOM 286 O TYR 35 23.257 29.235 30.844 1.00 0.00 ATOM 287 C TYR 35 23.264 30.319 31.475 1.00 0.00 ATOM 288 N THR 36 23.031 31.498 30.918 1.00 0.00 ATOM 289 CA THR 36 22.973 31.691 29.441 1.00 0.00 ATOM 290 CB THR 36 21.820 32.634 29.052 1.00 0.00 ATOM 291 CG2 THR 36 21.769 32.818 27.543 1.00 0.00 ATOM 292 OG1 THR 36 20.575 32.078 29.494 1.00 0.00 ATOM 293 O THR 36 24.633 33.424 29.434 1.00 0.00 ATOM 294 C THR 36 24.301 32.313 29.019 1.00 0.00 ATOM 295 N LEU 37 25.056 31.597 28.192 1.00 0.00 ATOM 296 CA LEU 37 26.309 32.092 27.738 1.00 0.00 ATOM 297 CB LEU 37 27.503 31.184 28.146 1.00 0.00 ATOM 298 CG LEU 37 27.858 31.135 29.634 1.00 0.00 ATOM 299 CD1 LEU 37 26.749 30.542 30.441 1.00 0.00 ATOM 300 CD2 LEU 37 29.109 30.327 29.832 1.00 0.00 ATOM 301 O LEU 37 26.695 31.098 25.590 1.00 0.00 ATOM 302 C LEU 37 26.739 32.125 26.289 1.00 0.00 ATOM 303 N PRO 38 27.236 33.288 25.802 1.00 0.00 ATOM 304 CA PRO 38 27.702 33.359 24.408 1.00 0.00 ATOM 305 CB PRO 38 27.804 34.864 24.126 1.00 0.00 ATOM 306 CG PRO 38 27.017 35.521 25.214 1.00 0.00 ATOM 307 CD PRO 38 27.117 34.601 26.448 1.00 0.00 ATOM 308 O PRO 38 30.011 33.456 25.051 1.00 0.00 ATOM 309 C PRO 38 29.137 32.845 24.436 1.00 0.00 ATOM 310 N ALA 39 29.377 31.721 23.769 1.00 0.00 ATOM 311 CA ALA 39 30.715 31.139 23.726 1.00 0.00 ATOM 312 CB ALA 39 30.558 29.710 24.224 1.00 0.00 ATOM 313 O ALA 39 30.694 30.556 21.421 1.00 0.00 ATOM 314 C ALA 39 31.326 31.073 22.323 1.00 0.00 ATOM 315 N TYR 40 32.529 31.578 22.139 1.00 0.00 ATOM 316 CA TYR 40 33.249 31.411 20.897 1.00 0.00 ATOM 317 CB TYR 40 34.101 32.670 20.646 1.00 0.00 ATOM 318 CG TYR 40 35.028 32.637 19.438 1.00 0.00 ATOM 319 CD1 TYR 40 34.512 32.740 18.156 1.00 0.00 ATOM 320 CD2 TYR 40 36.393 32.424 19.629 1.00 0.00 ATOM 321 CE1 TYR 40 35.383 32.713 17.066 1.00 0.00 ATOM 322 CE2 TYR 40 37.254 32.362 18.539 1.00 0.00 ATOM 323 CZ TYR 40 36.734 32.517 17.281 1.00 0.00 ATOM 324 OH TYR 40 37.554 32.483 16.173 1.00 0.00 ATOM 325 O TYR 40 34.744 29.946 22.069 1.00 0.00 ATOM 326 C TYR 40 34.084 30.144 21.048 1.00 0.00 ATOM 327 N ASP 41 34.055 29.288 20.031 1.00 0.00 ATOM 328 CA ASP 41 34.798 28.087 20.077 1.00 0.00 ATOM 329 CB ASP 41 33.952 26.954 19.492 1.00 0.00 ATOM 330 CG ASP 41 32.815 26.545 20.407 1.00 0.00 ATOM 331 OD1 ASP 41 32.809 26.980 21.579 1.00 0.00 ATOM 332 OD2 ASP 41 31.929 25.789 19.954 1.00 0.00 ATOM 333 O ASP 41 36.264 29.043 18.436 1.00 0.00 ATOM 334 C ASP 41 36.072 28.130 19.241 1.00 0.00 ATOM 335 N GLU 42 36.941 27.142 19.430 1.00 0.00 ATOM 336 CA GLU 42 38.183 27.083 18.684 1.00 0.00 ATOM 337 CB GLU 42 38.918 25.789 19.038 1.00 0.00 ATOM 338 CG GLU 42 40.250 25.616 18.326 1.00 0.00 ATOM 339 CD GLU 42 41.298 26.601 18.805 1.00 0.00 ATOM 340 OE1 GLU 42 41.047 27.294 19.814 1.00 0.00 ATOM 341 OE2 GLU 42 42.372 26.682 18.172 1.00 0.00 ATOM 342 O GLU 42 38.818 27.516 16.378 1.00 0.00 ATOM 343 C GLU 42 37.965 27.048 17.131 1.00 0.00 ATOM 344 N ASP 43 36.836 26.498 16.691 1.00 0.00 ATOM 345 CA ASP 43 36.541 26.421 15.265 1.00 0.00 ATOM 346 CB ASP 43 35.552 25.288 14.986 1.00 0.00 ATOM 347 CG ASP 43 36.190 23.917 15.094 1.00 0.00 ATOM 348 OD1 ASP 43 37.437 23.841 15.103 1.00 0.00 ATOM 349 OD2 ASP 43 35.443 22.918 15.170 1.00 0.00 ATOM 350 O ASP 43 35.670 27.881 13.526 1.00 0.00 ATOM 351 C ASP 43 35.972 27.746 14.713 1.00 0.00 ATOM 352 N GLY 44 35.805 28.748 15.614 1.00 0.00 ATOM 353 CA GLY 44 35.369 30.049 15.191 1.00 0.00 ATOM 354 O GLY 44 33.442 31.451 15.091 1.00 0.00 ATOM 355 C GLY 44 33.878 30.311 15.223 1.00 0.00 ATOM 356 N VAL 45 33.285 29.315 15.352 1.00 0.00 ATOM 357 CA VAL 45 31.854 29.507 15.531 1.00 0.00 ATOM 358 CB VAL 45 31.031 28.208 15.459 1.00 0.00 ATOM 359 CG1 VAL 45 31.216 27.535 14.107 1.00 0.00 ATOM 360 CG2 VAL 45 31.473 27.236 16.543 1.00 0.00 ATOM 361 O VAL 45 32.427 29.958 17.822 1.00 0.00 ATOM 362 C VAL 45 31.619 30.110 16.916 1.00 0.00 ATOM 363 N LYS 46 30.534 30.844 17.044 1.00 0.00 ATOM 364 CA LYS 46 30.178 31.515 18.280 1.00 0.00 ATOM 365 CB LYS 46 30.253 33.029 18.077 1.00 0.00 ATOM 366 CG LYS 46 30.025 33.838 19.343 1.00 0.00 ATOM 367 CD LYS 46 30.186 35.328 19.083 1.00 0.00 ATOM 368 CE LYS 46 29.964 36.136 20.351 1.00 0.00 ATOM 369 NZ LYS 46 30.192 37.590 20.129 1.00 0.00 ATOM 370 O LYS 46 27.922 31.063 17.621 1.00 0.00 ATOM 371 C LYS 46 28.761 31.034 18.523 1.00 0.00 ATOM 372 N LYS 47 28.579 30.539 19.654 1.00 0.00 ATOM 373 CA LYS 47 27.247 30.032 19.929 1.00 0.00 ATOM 374 CB LYS 47 27.256 28.503 19.966 1.00 0.00 ATOM 375 CG LYS 47 27.577 27.851 18.632 1.00 0.00 ATOM 376 CD LYS 47 27.612 26.335 18.752 1.00 0.00 ATOM 377 CE LYS 47 27.947 25.684 17.419 1.00 0.00 ATOM 378 NZ LYS 47 27.898 24.197 17.500 1.00 0.00 ATOM 379 O LYS 47 27.284 31.202 22.017 1.00 0.00 ATOM 380 C LYS 47 26.630 30.518 21.234 1.00 0.00 ATOM 381 N GLN 48 25.314 30.224 21.437 1.00 0.00 ATOM 382 CA GLN 48 24.676 30.486 22.723 1.00 0.00 ATOM 383 CB GLN 48 23.319 31.154 22.489 1.00 0.00 ATOM 384 CG GLN 48 23.407 32.542 21.879 1.00 0.00 ATOM 385 CD GLN 48 24.116 33.532 22.781 1.00 0.00 ATOM 386 OE1 GLN 48 23.768 33.678 23.952 1.00 0.00 ATOM 387 NE2 GLN 48 25.116 34.215 22.236 1.00 0.00 ATOM 388 O GLN 48 23.863 28.303 22.836 1.00 0.00 ATOM 389 C GLN 48 24.486 29.187 23.426 1.00 0.00 ATOM 390 N ILE 49 25.022 29.024 24.623 1.00 0.00 ATOM 391 CA ILE 49 24.818 27.776 25.315 1.00 0.00 ATOM 392 CB ILE 49 26.151 27.044 25.564 1.00 0.00 ATOM 393 CG1 ILE 49 26.834 26.712 24.236 1.00 0.00 ATOM 394 CG2 ILE 49 25.913 25.747 26.322 1.00 0.00 ATOM 395 CD1 ILE 49 28.256 26.222 24.387 1.00 0.00 ATOM 396 O ILE 49 24.348 29.011 27.337 1.00 0.00 ATOM 397 C ILE 49 24.118 27.998 26.677 1.00 0.00 ATOM 398 N THR 50 23.274 27.053 27.079 1.00 0.00 ATOM 399 CA THR 50 22.564 27.163 28.348 1.00 0.00 ATOM 400 CB THR 50 21.033 27.138 28.178 1.00 0.00 ATOM 401 CG2 THR 50 20.345 27.265 29.528 1.00 0.00 ATOM 402 OG1 THR 50 20.624 28.228 27.343 1.00 0.00 ATOM 403 O THR 50 23.081 24.869 28.824 1.00 0.00 ATOM 404 C THR 50 23.039 26.026 29.245 1.00 0.00 ATOM 405 N PHE 51 23.395 26.356 30.483 1.00 0.00 ATOM 406 CA PHE 51 23.853 25.363 31.403 1.00 0.00 ATOM 407 CB PHE 51 25.271 25.711 31.901 1.00 0.00 ATOM 408 CG PHE 51 26.330 25.653 30.843 1.00 0.00 ATOM 409 CD1 PHE 51 26.695 24.467 30.252 1.00 0.00 ATOM 410 CD2 PHE 51 26.999 26.798 30.456 1.00 0.00 ATOM 411 CE1 PHE 51 27.681 24.419 29.272 1.00 0.00 ATOM 412 CE2 PHE 51 27.967 26.742 29.462 1.00 0.00 ATOM 413 CZ PHE 51 28.307 25.572 28.890 1.00 0.00 ATOM 414 O PHE 51 22.740 26.458 33.225 1.00 0.00 ATOM 415 C PHE 51 23.058 25.388 32.703 1.00 0.00 ATOM 416 N ARG 52 22.738 24.209 33.227 1.00 0.00 ATOM 417 CA ARG 52 21.988 24.118 34.458 1.00 0.00 ATOM 418 CB ARG 52 20.871 23.073 34.417 1.00 0.00 ATOM 419 CG ARG 52 20.028 23.016 35.681 1.00 0.00 ATOM 420 CD ARG 52 18.859 22.059 35.520 1.00 0.00 ATOM 421 NE ARG 52 19.291 20.662 35.507 1.00 0.00 ATOM 422 CZ ARG 52 18.514 19.643 35.159 1.00 0.00 ATOM 423 NH1 ARG 52 18.993 18.407 35.178 1.00 0.00 ATOM 424 NH2 ARG 52 17.258 19.861 34.793 1.00 0.00 ATOM 425 O ARG 52 23.785 22.778 35.285 1.00 0.00 ATOM 426 C ARG 52 22.915 23.610 35.540 1.00 0.00 ATOM 427 N SER 53 22.730 24.112 36.758 1.00 0.00 ATOM 428 CA SER 53 23.562 23.694 37.881 1.00 0.00 ATOM 429 CB SER 53 24.669 24.708 38.177 1.00 0.00 ATOM 430 OG SER 53 25.499 24.262 39.237 1.00 0.00 ATOM 431 O SER 53 22.129 24.435 39.656 1.00 0.00 ATOM 432 C SER 53 22.748 23.496 39.155 1.00 0.00 ATOM 433 N THR 54 22.751 22.274 39.678 1.00 0.00 ATOM 434 CA THR 54 22.002 21.963 40.910 1.00 0.00 ATOM 435 CB THR 54 22.100 20.447 41.163 1.00 0.00 ATOM 436 CG2 THR 54 21.308 20.061 42.402 1.00 0.00 ATOM 437 OG1 THR 54 21.577 19.737 40.036 1.00 0.00 ATOM 438 O THR 54 23.763 22.774 42.285 1.00 0.00 ATOM 439 C THR 54 22.550 22.716 42.077 1.00 0.00 ATOM 440 N LYS 55 21.656 23.309 42.863 1.00 0.00 ATOM 441 CA LYS 55 22.068 24.072 44.036 1.00 0.00 ATOM 442 CB LYS 55 20.918 24.818 44.716 1.00 0.00 ATOM 443 CG LYS 55 21.335 25.614 45.942 1.00 0.00 ATOM 444 CD LYS 55 22.219 26.790 45.564 1.00 0.00 ATOM 445 CE LYS 55 22.525 27.662 46.770 1.00 0.00 ATOM 446 NZ LYS 55 23.382 28.826 46.412 1.00 0.00 ATOM 447 O LYS 55 23.704 23.592 45.723 1.00 0.00 ATOM 448 C LYS 55 22.701 23.207 45.120 1.00 0.00 ATOM 449 N LYS 56 22.116 22.039 45.365 1.00 0.00 ATOM 450 CA LYS 56 22.646 21.094 46.409 1.00 0.00 ATOM 451 CB LYS 56 21.539 20.159 46.899 1.00 0.00 ATOM 452 CG LYS 56 21.978 19.196 47.991 1.00 0.00 ATOM 453 CD LYS 56 20.800 18.410 48.540 1.00 0.00 ATOM 454 CE LYS 56 21.227 17.493 49.674 1.00 0.00 ATOM 455 NZ LYS 56 20.076 16.741 50.245 1.00 0.00 ATOM 456 O LYS 56 24.715 19.925 46.845 1.00 0.00 ATOM 457 C LYS 56 23.793 20.117 46.051 1.00 0.00 ATOM 458 N GLU 57 23.722 19.515 44.869 1.00 0.00 ATOM 459 CA GLU 57 24.752 18.579 44.435 1.00 0.00 ATOM 460 CB GLU 57 24.287 17.481 43.474 1.00 0.00 ATOM 461 CG GLU 57 23.358 16.457 44.103 1.00 0.00 ATOM 462 CD GLU 57 24.008 15.713 45.254 1.00 0.00 ATOM 463 OE1 GLU 57 25.075 15.101 45.040 1.00 0.00 ATOM 464 OE2 GLU 57 23.449 15.741 46.371 1.00 0.00 ATOM 465 O GLU 57 26.989 18.643 43.578 1.00 0.00 ATOM 466 C GLU 57 25.911 19.247 43.723 1.00 0.00 ATOM 467 N ASN 58 25.675 20.442 43.201 1.00 0.00 ATOM 468 CA ASN 58 26.613 21.099 42.284 1.00 0.00 ATOM 469 CB ASN 58 28.026 21.098 42.870 1.00 0.00 ATOM 470 CG ASN 58 28.153 21.994 44.087 1.00 0.00 ATOM 471 ND2 ASN 58 29.046 21.629 44.998 1.00 0.00 ATOM 472 OD1 ASN 58 27.454 23.002 44.204 1.00 0.00 ATOM 473 O ASN 58 27.586 20.831 40.107 1.00 0.00 ATOM 474 C ASN 58 26.737 20.445 40.912 1.00 0.00 ATOM 475 N ASP 59 25.889 19.457 40.647 1.00 0.00 ATOM 476 CA ASP 59 25.912 18.751 39.352 1.00 0.00 ATOM 477 CB ASP 59 24.949 17.564 39.370 1.00 0.00 ATOM 478 CG ASP 59 25.466 16.407 40.203 1.00 0.00 ATOM 479 OD1 ASP 59 26.648 16.446 40.604 1.00 0.00 ATOM 480 OD2 ASP 59 24.690 15.461 40.453 1.00 0.00 ATOM 481 O ASP 59 24.628 20.524 38.407 1.00 0.00 ATOM 482 C ASP 59 25.507 19.677 38.238 1.00 0.00 ATOM 483 N HIS 60 26.145 19.523 37.082 1.00 0.00 ATOM 484 CA HIS 60 25.836 20.361 35.930 1.00 0.00 ATOM 485 CB HIS 60 26.943 21.415 35.694 1.00 0.00 ATOM 486 CG HIS 60 28.181 20.869 35.055 1.00 0.00 ATOM 487 CD2 HIS 60 28.721 21.091 33.834 1.00 0.00 ATOM 488 ND1 HIS 60 29.055 20.027 35.711 1.00 0.00 ATOM 489 CE1 HIS 60 30.078 19.755 34.924 1.00 0.00 ATOM 490 NE2 HIS 60 29.902 20.389 33.775 1.00 0.00 ATOM 491 O HIS 60 25.908 18.370 34.632 1.00 0.00 ATOM 492 C HIS 60 25.414 19.523 34.768 1.00 0.00 ATOM 493 N LYS 61 24.587 20.072 33.865 1.00 0.00 ATOM 494 CA LYS 61 24.141 19.345 32.660 1.00 0.00 ATOM 495 CB LYS 61 22.941 18.428 32.967 1.00 0.00 ATOM 496 CG LYS 61 23.333 17.233 33.876 1.00 0.00 ATOM 497 CD LYS 61 22.146 16.442 34.414 1.00 0.00 ATOM 498 CE LYS 61 21.342 15.770 33.320 1.00 0.00 ATOM 499 NZ LYS 61 20.280 14.874 33.850 1.00 0.00 ATOM 500 O LYS 61 23.800 21.522 31.698 1.00 0.00 ATOM 501 C LYS 61 24.180 20.368 31.512 1.00 0.00 ATOM 502 N LEU 62 24.683 19.974 30.316 1.00 0.00 ATOM 503 CA LEU 62 24.509 20.775 29.090 1.00 0.00 ATOM 504 CB LEU 62 25.474 20.298 28.003 1.00 0.00 ATOM 505 CG LEU 62 26.965 20.376 28.338 1.00 0.00 ATOM 506 CD1 LEU 62 27.798 19.741 27.235 1.00 0.00 ATOM 507 CD2 LEU 62 27.406 21.823 28.496 1.00 0.00 ATOM 508 O LEU 62 22.566 19.536 28.260 1.00 0.00 ATOM 509 C LEU 62 23.003 20.608 28.642 1.00 0.00 ATOM 510 N ASN 63 22.204 21.679 28.642 1.00 0.00 ATOM 511 CA ASN 63 20.814 21.583 28.204 1.00 0.00 ATOM 512 CB ASN 63 19.973 22.676 28.867 1.00 0.00 ATOM 513 CG ASN 63 19.852 22.489 30.366 1.00 0.00 ATOM 514 ND2 ASN 63 19.556 23.573 31.075 1.00 0.00 ATOM 515 OD1 ASN 63 20.024 21.383 30.879 1.00 0.00 ATOM 516 O ASN 63 19.974 20.982 26.010 1.00 0.00 ATOM 517 C ASN 63 20.681 21.754 26.660 1.00 0.00 ATOM 518 N LYS 64 21.356 22.754 26.103 1.00 0.00 ATOM 519 CA LYS 64 21.298 22.998 24.667 1.00 0.00 ATOM 520 CB LYS 64 20.180 24.029 24.489 1.00 0.00 ATOM 521 CG LYS 64 18.796 23.512 24.851 1.00 0.00 ATOM 522 CD LYS 64 17.734 24.574 24.622 1.00 0.00 ATOM 523 CE LYS 64 16.345 24.043 24.937 1.00 0.00 ATOM 524 NZ LYS 64 15.293 25.073 24.718 1.00 0.00 ATOM 525 O LYS 64 23.438 24.069 24.829 1.00 0.00 ATOM 526 C LYS 64 22.615 23.515 24.099 1.00 0.00 ATOM 527 N TYR 65 22.812 23.335 22.797 1.00 0.00 ATOM 528 CA TYR 65 24.036 23.793 22.147 1.00 0.00 ATOM 529 CB TYR 65 23.885 25.417 22.233 1.00 0.00 ATOM 530 CG TYR 65 22.790 25.961 21.339 1.00 0.00 ATOM 531 CD1 TYR 65 22.938 25.972 19.950 1.00 0.00 ATOM 532 CD2 TYR 65 21.584 26.412 21.874 1.00 0.00 ATOM 533 CE1 TYR 65 21.905 26.411 19.115 1.00 0.00 ATOM 534 CE2 TYR 65 20.549 26.854 21.051 1.00 0.00 ATOM 535 CZ TYR 65 20.716 26.850 19.673 1.00 0.00 ATOM 536 OH TYR 65 19.684 27.272 18.866 1.00 0.00 ATOM 537 O TYR 65 26.299 23.087 21.659 1.00 0.00 ATOM 538 C TYR 65 25.271 22.864 22.301 1.00 0.00 ATOM 539 N ALA 66 25.155 21.844 23.144 1.00 0.00 ATOM 540 CA ALA 66 26.256 20.912 23.360 1.00 0.00 ATOM 541 CB ALA 66 25.954 19.958 24.504 1.00 0.00 ATOM 542 O ALA 66 25.454 19.846 21.365 1.00 0.00 ATOM 543 C ALA 66 26.433 20.092 22.087 1.00 0.00 ATOM 544 N PHE 67 27.733 19.772 21.817 1.00 0.00 ATOM 545 CA PHE 67 28.015 18.803 20.751 1.00 0.00 ATOM 546 CB PHE 67 29.446 18.820 20.303 1.00 0.00 ATOM 547 CG PHE 67 29.753 19.969 19.382 1.00 0.00 ATOM 548 CD1 PHE 67 29.497 19.870 18.015 1.00 0.00 ATOM 549 CD2 PHE 67 30.278 21.156 19.881 1.00 0.00 ATOM 550 CE1 PHE 67 29.771 20.940 17.153 1.00 0.00 ATOM 551 CE2 PHE 67 30.556 22.232 19.032 1.00 0.00 ATOM 552 CZ PHE 67 30.300 22.122 17.664 1.00 0.00 ATOM 553 O PHE 67 27.070 16.661 20.284 1.00 0.00 ATOM 554 C PHE 67 27.451 17.459 21.141 1.00 0.00 ATOM 555 N LEU 68 27.393 17.200 22.445 1.00 0.00 ATOM 556 CA LEU 68 26.866 15.934 22.940 1.00 0.00 ATOM 557 CB LEU 68 26.986 15.792 24.432 1.00 0.00 ATOM 558 CG LEU 68 28.382 15.596 24.921 1.00 0.00 ATOM 559 CD1 LEU 68 28.428 15.646 26.432 1.00 0.00 ATOM 560 CD2 LEU 68 29.023 14.276 24.429 1.00 0.00 ATOM 561 O LEU 68 24.961 14.718 22.137 1.00 0.00 ATOM 562 C LEU 68 25.385 15.772 22.611 1.00 0.00 ATOM 563 N ARG 69 24.602 16.817 22.861 1.00 0.00 ATOM 564 CA ARG 69 23.201 16.767 22.585 1.00 0.00 ATOM 565 CB ARG 69 22.499 17.995 23.167 1.00 0.00 ATOM 566 CG ARG 69 20.990 17.989 22.990 1.00 0.00 ATOM 567 CD ARG 69 20.349 19.187 23.670 1.00 0.00 ATOM 568 NE ARG 69 18.892 19.166 23.561 1.00 0.00 ATOM 569 CZ ARG 69 18.214 19.628 22.515 1.00 0.00 ATOM 570 NH1 ARG 69 16.890 19.566 22.502 1.00 0.00 ATOM 571 NH2 ARG 69 18.864 20.152 21.483 1.00 0.00 ATOM 572 O ARG 69 22.032 15.928 20.668 1.00 0.00 ATOM 573 C ARG 69 22.929 16.658 21.091 1.00 0.00 ATOM 574 N LEU 70 23.705 17.384 20.293 1.00 0.00 ATOM 575 CA LEU 70 23.536 17.356 18.845 1.00 0.00 ATOM 576 CB LEU 70 24.433 18.357 18.113 1.00 0.00 ATOM 577 CG LEU 70 24.378 18.326 16.585 1.00 0.00 ATOM 578 CD1 LEU 70 22.979 18.660 16.091 1.00 0.00 ATOM 579 CD2 LEU 70 25.346 19.339 15.992 1.00 0.00 ATOM 580 O LEU 70 23.230 15.447 17.446 1.00 0.00 ATOM 581 C LEU 70 23.947 16.029 18.260 1.00 0.00 ATOM 582 N TYR 71 25.112 15.539 18.676 1.00 0.00 ATOM 583 CA TYR 71 25.613 14.262 18.182 1.00 0.00 ATOM 584 CB TYR 71 26.808 13.996 19.369 1.00 0.00 ATOM 585 CG TYR 71 27.945 13.054 19.141 1.00 0.00 ATOM 586 CD1 TYR 71 29.254 13.529 18.982 1.00 0.00 ATOM 587 CD2 TYR 71 27.729 11.690 19.137 1.00 0.00 ATOM 588 CE1 TYR 71 30.312 12.657 18.835 1.00 0.00 ATOM 589 CE2 TYR 71 28.782 10.806 18.988 1.00 0.00 ATOM 590 CZ TYR 71 30.070 11.298 18.841 1.00 0.00 ATOM 591 OH TYR 71 31.114 10.419 18.709 1.00 0.00 ATOM 592 O TYR 71 24.664 12.092 17.798 1.00 0.00 ATOM 593 C TYR 71 24.764 13.053 18.562 1.00 0.00 ATOM 594 N VAL 72 24.153 13.103 19.741 1.00 0.00 ATOM 595 CA VAL 72 23.307 11.998 20.211 1.00 0.00 ATOM 596 CB VAL 72 22.969 12.154 21.705 1.00 0.00 ATOM 597 CG1 VAL 72 21.995 11.073 22.147 1.00 0.00 ATOM 598 CG2 VAL 72 24.228 12.040 22.551 1.00 0.00 ATOM 599 O VAL 72 21.371 12.979 19.188 1.00 0.00 ATOM 600 C VAL 72 21.996 11.946 19.434 1.00 0.00 ATOM 601 N ASP 73 21.581 10.743 19.047 1.00 0.00 ATOM 602 CA ASP 73 20.349 10.581 18.307 1.00 0.00 ATOM 603 CB ASP 73 20.631 10.090 16.885 1.00 0.00 ATOM 604 CG ASP 73 21.368 11.117 16.050 1.00 0.00 ATOM 605 OD1 ASP 73 20.817 12.219 15.839 1.00 0.00 ATOM 606 OD2 ASP 73 22.498 10.821 15.605 1.00 0.00 ATOM 607 O ASP 73 19.878 8.617 19.603 1.00 0.00 ATOM 608 C ASP 73 19.421 9.562 18.958 1.00 0.00 ATOM 609 N GLN 74 18.117 9.755 18.789 1.00 0.00 ATOM 610 CA GLN 74 17.117 8.831 19.372 1.00 0.00 ATOM 611 CB GLN 74 15.771 9.524 19.598 1.00 0.00 ATOM 612 CG GLN 74 15.800 10.595 20.676 1.00 0.00 ATOM 613 CD GLN 74 14.451 11.260 20.873 1.00 0.00 ATOM 614 OE1 GLN 74 13.476 10.917 20.204 1.00 0.00 ATOM 615 NE2 GLN 74 14.392 12.215 21.792 1.00 0.00 ATOM 616 O GLN 74 17.679 7.724 17.319 1.00 0.00 ATOM 617 C GLN 74 16.996 7.711 18.344 1.00 0.00 ATOM 618 N ASP 75 16.126 6.744 18.616 1.00 0.00 ATOM 619 CA ASP 75 15.921 5.608 17.694 1.00 0.00 ATOM 620 CB ASP 75 14.952 4.579 18.279 1.00 0.00 ATOM 621 CG ASP 75 15.543 3.825 19.454 1.00 0.00 ATOM 622 OD1 ASP 75 16.772 3.918 19.664 1.00 0.00 ATOM 623 OD2 ASP 75 14.778 3.142 20.168 1.00 0.00 ATOM 624 O ASP 75 15.859 5.422 15.300 1.00 0.00 ATOM 625 C ASP 75 15.527 6.073 16.292 1.00 0.00 ATOM 626 N ASP 76 14.822 7.198 16.215 1.00 0.00 ATOM 627 CA ASP 76 14.396 7.735 14.928 1.00 0.00 ATOM 628 CB ASP 76 13.168 8.632 15.104 1.00 0.00 ATOM 629 CG ASP 76 13.455 9.849 15.961 1.00 0.00 ATOM 630 OD1 ASP 76 14.598 9.980 16.445 1.00 0.00 ATOM 631 OD2 ASP 76 12.535 10.674 16.146 1.00 0.00 ATOM 632 O ASP 76 15.230 9.164 13.199 1.00 0.00 ATOM 633 C ASP 76 15.466 8.571 14.253 1.00 0.00 ATOM 634 N ASN 77 16.647 8.622 14.860 1.00 0.00 ATOM 635 CA ASN 77 17.752 9.394 14.301 1.00 0.00 ATOM 636 CB ASN 77 17.919 9.058 12.798 1.00 0.00 ATOM 637 CG ASN 77 18.289 7.611 12.538 1.00 0.00 ATOM 638 ND2 ASN 77 17.455 6.915 11.774 1.00 0.00 ATOM 639 OD1 ASN 77 19.314 7.126 13.020 1.00 0.00 ATOM 640 O ASN 77 18.373 11.685 13.955 1.00 0.00 ATOM 641 C ASN 77 17.646 10.894 14.557 1.00 0.00 ATOM 642 N SER 78 16.742 11.280 15.451 1.00 0.00 ATOM 643 CA SER 78 16.553 12.703 15.782 1.00 0.00 ATOM 644 CB SER 78 15.131 13.003 16.259 1.00 0.00 ATOM 645 OG SER 78 15.020 14.338 16.723 1.00 0.00 ATOM 646 O SER 78 17.624 12.288 17.897 1.00 0.00 ATOM 647 C SER 78 17.492 13.055 16.943 1.00 0.00 ATOM 648 N LYS 79 18.139 14.214 16.856 1.00 0.00 ATOM 649 CA LYS 79 19.055 14.649 17.904 1.00 0.00 ATOM 650 CB LYS 79 19.508 16.097 17.705 1.00 0.00 ATOM 651 CG LYS 79 18.397 17.123 17.859 1.00 0.00 ATOM 652 CD LYS 79 18.917 18.535 17.644 1.00 0.00 ATOM 653 CE LYS 79 17.826 19.565 17.883 1.00 0.00 ATOM 654 NZ LYS 79 18.327 20.957 17.704 1.00 0.00 ATOM 655 O LYS 79 17.253 14.957 19.441 1.00 0.00 ATOM 656 C LYS 79 18.411 14.592 19.277 1.00 0.00 ATOM 657 N ASN 80 19.191 14.146 20.242 1.00 0.00 ATOM 658 CA ASN 80 18.727 13.775 21.567 1.00 0.00 ATOM 659 CB ASN 80 18.778 12.256 21.746 1.00 0.00 ATOM 660 CG ASN 80 18.137 11.801 23.042 1.00 0.00 ATOM 661 ND2 ASN 80 18.920 11.143 23.889 1.00 0.00 ATOM 662 OD1 ASN 80 16.952 12.040 23.276 1.00 0.00 ATOM 663 O ASN 80 20.834 14.536 22.425 1.00 0.00 ATOM 664 C ASN 80 19.622 14.429 22.615 1.00 0.00 ATOM 665 N GLU 81 19.023 14.863 23.719 1.00 0.00 ATOM 666 CA GLU 81 19.795 15.524 24.829 1.00 0.00 ATOM 667 CB GLU 81 18.875 15.827 26.015 1.00 0.00 ATOM 668 CG GLU 81 19.558 16.563 27.156 1.00 0.00 ATOM 669 CD GLU 81 18.604 16.894 28.289 1.00 0.00 ATOM 670 OE1 GLU 81 17.411 16.544 28.180 1.00 0.00 ATOM 671 OE2 GLU 81 19.052 17.502 29.283 1.00 0.00 ATOM 672 O GLU 81 20.780 13.466 25.560 1.00 0.00 ATOM 673 C GLU 81 20.927 14.677 25.385 1.00 0.00 ATOM 674 N ILE 82 22.060 15.312 25.664 1.00 0.00 ATOM 675 CA ILE 82 23.212 14.601 26.204 1.00 0.00 ATOM 676 CB ILE 82 24.231 14.022 25.638 1.00 0.00 ATOM 677 CG1 ILE 82 23.711 12.609 25.356 1.00 0.00 ATOM 678 CG2 ILE 82 25.421 13.956 26.585 1.00 0.00 ATOM 679 CD1 ILE 82 23.139 11.904 26.582 1.00 0.00 ATOM 680 O ILE 82 23.423 16.551 27.586 1.00 0.00 ATOM 681 C ILE 82 23.619 15.341 27.474 1.00 0.00 ATOM 682 N SER 83 24.188 14.612 28.430 1.00 0.00 ATOM 683 CA SER 83 24.610 15.212 29.663 1.00 0.00 ATOM 684 CB SER 83 24.945 14.152 30.715 1.00 0.00 ATOM 685 OG SER 83 26.113 13.431 30.359 1.00 0.00 ATOM 686 O SER 83 26.540 15.952 28.453 1.00 0.00 ATOM 687 C SER 83 25.857 16.059 29.473 1.00 0.00 ATOM 688 N SER 84 26.158 16.902 30.456 1.00 0.00 ATOM 689 CA SER 84 27.333 17.761 30.381 1.00 0.00 ATOM 690 CB SER 84 27.357 18.837 31.464 1.00 0.00 ATOM 691 OG SER 84 27.513 18.326 32.769 1.00 0.00 ATOM 692 O SER 84 28.511 15.813 31.141 1.00 0.00 ATOM 693 C SER 84 28.591 16.965 30.711 1.00 0.00 ATOM 694 N ILE 85 29.753 17.579 30.509 1.00 0.00 ATOM 695 CA ILE 85 30.977 16.923 30.787 1.00 0.00 ATOM 696 CB ILE 85 32.033 17.156 29.691 1.00 0.00 ATOM 697 CG1 ILE 85 32.344 18.649 29.561 1.00 0.00 ATOM 698 CG2 ILE 85 31.530 16.650 28.349 1.00 0.00 ATOM 699 CD1 ILE 85 33.558 18.945 28.706 1.00 0.00 ATOM 700 O ILE 85 31.212 18.623 32.463 1.00 0.00 ATOM 701 C ILE 85 31.603 17.536 32.035 1.00 0.00 ATOM 702 N GLU 86 32.575 16.840 32.616 1.00 0.00 ATOM 703 CA GLU 86 33.237 17.332 33.801 1.00 0.00 ATOM 704 CB GLU 86 34.153 16.240 34.359 1.00 0.00 ATOM 705 CG GLU 86 34.897 16.641 35.623 1.00 0.00 ATOM 706 CD GLU 86 35.755 15.518 36.173 1.00 0.00 ATOM 707 OE1 GLU 86 35.769 14.427 35.565 1.00 0.00 ATOM 708 OE2 GLU 86 36.415 15.730 37.212 1.00 0.00 ATOM 709 O GLU 86 34.595 18.577 32.311 1.00 0.00 ATOM 710 C GLU 86 34.016 18.531 33.397 1.00 0.00 ATOM 711 N VAL 87 34.043 19.530 34.273 1.00 0.00 ATOM 712 CA VAL 87 34.776 20.760 33.993 1.00 0.00 ATOM 713 CB VAL 87 33.993 21.955 34.526 1.00 0.00 ATOM 714 CG1 VAL 87 34.812 23.238 34.340 1.00 0.00 ATOM 715 CG2 VAL 87 32.714 22.039 33.753 1.00 0.00 ATOM 716 O VAL 87 36.200 20.325 35.875 1.00 0.00 ATOM 717 C VAL 87 36.124 20.702 34.705 1.00 0.00 ATOM 718 N LYS 88 37.185 21.077 33.999 1.00 0.00 ATOM 719 CA LYS 88 38.514 21.063 34.577 1.00 0.00 ATOM 720 CB LYS 88 39.344 20.065 33.767 1.00 0.00 ATOM 721 CG LYS 88 38.822 18.638 33.819 1.00 0.00 ATOM 722 CD LYS 88 39.695 17.700 33.001 1.00 0.00 ATOM 723 CE LYS 88 39.079 16.314 32.905 1.00 0.00 ATOM 724 NZ LYS 88 39.953 15.368 32.160 1.00 0.00 ATOM 725 O LYS 88 40.307 22.489 35.356 1.00 0.00 ATOM 726 C LYS 88 39.294 22.404 34.661 1.00 0.00 ATOM 727 N SER 89 38.815 23.425 33.957 1.00 0.00 ATOM 728 CA SER 89 39.471 24.726 33.970 1.00 0.00 ATOM 729 CB SER 89 40.467 24.737 32.809 1.00 0.00 ATOM 730 OG SER 89 39.797 24.725 31.560 1.00 0.00 ATOM 731 O SER 89 37.487 25.890 33.287 1.00 0.00 ATOM 732 C SER 89 38.605 25.970 33.797 1.00 0.00 ATOM 733 N TYR 90 39.124 27.118 34.222 1.00 0.00 ATOM 734 CA TYR 90 38.383 28.379 34.105 1.00 0.00 ATOM 735 CB TYR 90 39.204 29.500 34.745 1.00 0.00 ATOM 736 CG TYR 90 38.574 30.869 34.623 1.00 0.00 ATOM 737 CD1 TYR 90 37.529 31.248 35.457 1.00 0.00 ATOM 738 CD2 TYR 90 39.026 31.778 33.675 1.00 0.00 ATOM 739 CE1 TYR 90 36.947 32.497 35.353 1.00 0.00 ATOM 740 CE2 TYR 90 38.456 33.031 33.556 1.00 0.00 ATOM 741 CZ TYR 90 37.408 33.385 34.406 1.00 0.00 ATOM 742 OH TYR 90 36.830 34.629 34.300 1.00 0.00 ATOM 743 O TYR 90 37.331 29.562 32.272 1.00 0.00 ATOM 744 C TYR 90 38.236 28.801 32.615 1.00 0.00 ATOM 745 N GLU 91 39.123 28.303 31.758 1.00 0.00 ATOM 746 CA GLU 91 39.071 28.634 30.339 1.00 0.00 ATOM 747 CB GLU 91 40.231 28.166 29.524 1.00 0.00 ATOM 748 CG GLU 91 41.436 29.089 29.725 1.00 0.00 ATOM 749 CD GLU 91 42.771 28.500 29.353 1.00 0.00 ATOM 750 OE1 GLU 91 42.839 27.323 28.951 1.00 0.00 ATOM 751 OE2 GLU 91 43.789 29.235 29.498 1.00 0.00 ATOM 752 O GLU 91 37.004 28.511 29.095 1.00 0.00 ATOM 753 C GLU 91 37.818 27.908 29.795 1.00 0.00 ATOM 754 N GLU 92 37.678 26.627 30.123 1.00 0.00 ATOM 755 CA GLU 92 36.531 25.851 29.664 1.00 0.00 ATOM 756 CB GLU 92 36.650 24.430 30.219 1.00 0.00 ATOM 757 CG GLU 92 37.746 23.600 29.570 1.00 0.00 ATOM 758 CD GLU 92 37.916 22.245 30.226 1.00 0.00 ATOM 759 OE1 GLU 92 37.228 21.982 31.235 1.00 0.00 ATOM 760 OE2 GLU 92 38.739 21.444 29.732 1.00 0.00 ATOM 761 O GLU 92 34.256 26.517 29.295 1.00 0.00 ATOM 762 C GLU 92 35.193 26.447 30.090 1.00 0.00 ATOM 763 N ILE 93 35.109 26.880 31.344 1.00 0.00 ATOM 764 CA ILE 93 33.861 27.483 31.873 1.00 0.00 ATOM 765 CB ILE 93 32.995 26.443 32.608 1.00 0.00 ATOM 766 CG1 ILE 93 31.604 27.016 32.899 1.00 0.00 ATOM 767 CG2 ILE 93 33.639 26.052 33.930 1.00 0.00 ATOM 768 CD1 ILE 93 30.586 25.971 33.297 1.00 0.00 ATOM 769 O ILE 93 35.418 28.559 33.347 1.00 0.00 ATOM 770 C ILE 93 34.287 28.566 32.859 1.00 0.00 ATOM 771 N GLN 94 33.382 29.495 33.149 1.00 0.00 ATOM 772 CA GLN 94 33.681 30.565 34.073 1.00 0.00 ATOM 773 CB GLN 94 32.597 31.645 34.044 1.00 0.00 ATOM 774 CG GLN 94 32.474 32.365 32.711 1.00 0.00 ATOM 775 CD GLN 94 33.739 33.111 32.334 1.00 0.00 ATOM 776 OE1 GLN 94 34.238 33.934 33.101 1.00 0.00 ATOM 777 NE2 GLN 94 34.262 32.824 31.146 1.00 0.00 ATOM 778 O GLN 94 33.040 28.993 35.741 1.00 0.00 ATOM 779 C GLN 94 33.733 29.967 35.447 1.00 0.00 ATOM 780 N LYS 95 34.561 30.548 36.308 1.00 0.00 ATOM 781 CA LYS 95 34.696 30.058 37.675 1.00 0.00 ATOM 782 CB LYS 95 35.843 30.743 38.424 1.00 0.00 ATOM 783 CG LYS 95 36.104 30.175 39.810 1.00 0.00 ATOM 784 CD LYS 95 37.216 30.934 40.515 1.00 0.00 ATOM 785 CE LYS 95 38.571 30.630 39.898 1.00 0.00 ATOM 786 NZ LYS 95 39.680 31.286 40.643 1.00 0.00 ATOM 787 O LYS 95 32.986 29.481 39.215 1.00 0.00 ATOM 788 C LYS 95 33.433 30.311 38.422 1.00 0.00 ATOM 789 N ALA 96 32.835 31.472 38.179 1.00 0.00 ATOM 790 CA ALA 96 31.590 31.835 38.847 1.00 0.00 ATOM 791 CB ALA 96 31.135 33.252 38.532 1.00 0.00 ATOM 792 O ALA 96 29.474 30.819 39.325 1.00 0.00 ATOM 793 C ALA 96 30.425 30.896 38.546 1.00 0.00 ATOM 794 N ASP 97 30.446 30.187 37.393 1.00 0.00 ATOM 795 CA ASP 97 29.400 29.261 36.961 1.00 0.00 ATOM 796 CB ASP 97 29.172 29.222 35.316 1.00 0.00 ATOM 797 CG ASP 97 29.526 30.414 34.449 1.00 0.00 ATOM 798 OD1 ASP 97 29.529 31.565 34.958 1.00 0.00 ATOM 799 OD2 ASP 97 29.799 30.201 33.240 1.00 0.00 ATOM 800 O ASP 97 28.765 26.922 37.135 1.00 0.00 ATOM 801 C ASP 97 29.628 27.767 37.376 1.00 0.00 ATOM 802 N LEU 98 30.702 27.442 37.962 1.00 0.00 ATOM 803 CA LEU 98 31.105 26.120 38.429 1.00 0.00 ATOM 804 CB LEU 98 32.615 25.856 38.217 1.00 0.00 ATOM 805 CG LEU 98 32.981 25.628 36.738 1.00 0.00 ATOM 806 CD1 LEU 98 34.496 25.891 36.538 1.00 0.00 ATOM 807 CD2 LEU 98 32.576 24.218 36.298 1.00 0.00 ATOM 808 O LEU 98 31.190 27.083 40.608 1.00 0.00 ATOM 809 C LEU 98 31.032 26.058 39.941 1.00 0.00 ATOM 810 N PRO 99 30.874 24.856 40.485 1.00 0.00 ATOM 811 CA PRO 99 30.951 24.695 41.948 1.00 0.00 ATOM 812 CB PRO 99 30.385 23.301 42.166 1.00 0.00 ATOM 813 CG PRO 99 30.721 22.573 40.912 1.00 0.00 ATOM 814 CD PRO 99 30.482 23.619 39.804 1.00 0.00 ATOM 815 O PRO 99 33.363 24.722 41.616 1.00 0.00 ATOM 816 C PRO 99 32.414 24.838 42.410 1.00 0.00 ATOM 817 N GLU 100 32.577 25.006 43.709 1.00 0.00 ATOM 818 CA GLU 100 33.901 25.288 44.238 1.00 0.00 ATOM 819 CB GLU 100 33.837 25.528 45.748 1.00 0.00 ATOM 820 CG GLU 100 33.190 26.846 46.140 1.00 0.00 ATOM 821 CD GLU 100 33.059 27.006 47.642 1.00 0.00 ATOM 822 OE1 GLU 100 33.412 26.058 48.374 1.00 0.00 ATOM 823 OE2 GLU 100 32.606 28.081 48.087 1.00 0.00 ATOM 824 O GLU 100 36.072 24.398 43.901 1.00 0.00 ATOM 825 C GLU 100 34.874 24.155 44.015 1.00 0.00 ATOM 826 N LYS 101 34.354 22.933 43.981 1.00 0.00 ATOM 827 CA LYS 101 35.219 21.769 43.831 1.00 0.00 ATOM 828 CB LYS 101 34.395 20.480 43.888 1.00 0.00 ATOM 829 CG LYS 101 33.833 20.163 45.263 1.00 0.00 ATOM 830 CD LYS 101 33.022 18.877 45.246 1.00 0.00 ATOM 831 CE LYS 101 32.456 18.563 46.621 1.00 0.00 ATOM 832 NZ LYS 101 31.633 17.323 46.612 1.00 0.00 ATOM 833 O LYS 101 37.088 21.268 42.414 1.00 0.00 ATOM 834 C LYS 101 35.979 21.797 42.509 1.00 0.00 ATOM 835 N VAL 102 35.383 22.413 41.494 1.00 0.00 ATOM 836 CA VAL 102 36.021 22.503 40.183 1.00 0.00 ATOM 837 CB VAL 102 35.100 23.124 39.118 1.00 0.00 ATOM 838 CG1 VAL 102 35.866 23.364 37.825 1.00 0.00 ATOM 839 CG2 VAL 102 33.931 22.198 38.819 1.00 0.00 ATOM 840 O VAL 102 38.314 23.033 39.695 1.00 0.00 ATOM 841 C VAL 102 37.289 23.352 40.298 1.00 0.00 ATOM 842 N LYS 103 37.214 24.429 41.073 1.00 0.00 ATOM 843 CA LYS 103 38.363 25.309 41.257 1.00 0.00 ATOM 844 CB LYS 103 38.010 26.502 42.147 1.00 0.00 ATOM 845 CG LYS 103 39.148 27.493 42.336 1.00 0.00 ATOM 846 CD LYS 103 38.702 28.695 43.152 1.00 0.00 ATOM 847 CE LYS 103 39.846 29.675 43.362 1.00 0.00 ATOM 848 NZ LYS 103 39.430 30.848 44.177 1.00 0.00 ATOM 849 O LYS 103 40.620 24.542 41.492 1.00 0.00 ATOM 850 C LYS 103 39.462 24.480 41.903 1.00 0.00 ATOM 851 N ASP 104 39.097 23.700 42.917 1.00 0.00 ATOM 852 CA ASP 104 40.067 22.860 43.609 1.00 0.00 ATOM 853 CB ASP 104 39.363 22.000 44.661 1.00 0.00 ATOM 854 CG ASP 104 38.920 22.803 45.869 1.00 0.00 ATOM 855 OD1 ASP 104 39.359 23.964 46.005 1.00 0.00 ATOM 856 OD2 ASP 104 38.133 22.270 46.680 1.00 0.00 ATOM 857 O ASP 104 41.988 21.724 42.715 1.00 0.00 ATOM 858 C ASP 104 40.774 21.918 42.631 1.00 0.00 ATOM 859 N LYS 105 40.014 21.340 41.706 1.00 0.00 ATOM 860 CA LYS 105 40.585 20.427 40.722 1.00 0.00 ATOM 861 CB LYS 105 39.433 19.833 39.918 1.00 0.00 ATOM 862 CG LYS 105 39.902 18.736 38.930 1.00 0.00 ATOM 863 CD LYS 105 40.102 17.317 39.580 1.00 0.00 ATOM 864 CE LYS 105 40.222 16.239 38.505 1.00 0.00 ATOM 865 NZ LYS 105 40.222 14.904 39.182 1.00 0.00 ATOM 866 O LYS 105 42.656 20.729 39.549 1.00 0.00 ATOM 867 C LYS 105 41.549 21.194 39.823 1.00 0.00 ATOM 868 N PHE 106 41.126 22.368 39.365 1.00 0.00 ATOM 869 CA PHE 106 41.960 23.176 38.509 1.00 0.00 ATOM 870 CB PHE 106 41.258 24.476 38.107 1.00 0.00 ATOM 871 CG PHE 106 42.028 25.298 37.114 1.00 0.00 ATOM 872 CD1 PHE 106 42.104 24.914 35.787 1.00 0.00 ATOM 873 CD2 PHE 106 42.677 26.457 37.507 1.00 0.00 ATOM 874 CE1 PHE 106 42.812 25.670 34.872 1.00 0.00 ATOM 875 CE2 PHE 106 43.385 27.213 36.592 1.00 0.00 ATOM 876 CZ PHE 106 43.453 26.825 35.280 1.00 0.00 ATOM 877 O PHE 106 44.343 23.476 38.663 1.00 0.00 ATOM 878 C PHE 106 43.267 23.454 39.263 1.00 0.00 ATOM 879 N THR 107 43.169 23.661 40.573 1.00 0.00 ATOM 880 CA THR 107 44.349 23.930 41.387 1.00 0.00 ATOM 881 CB THR 107 43.924 24.519 42.732 1.00 0.00 ATOM 882 CG2 THR 107 45.130 24.879 43.603 1.00 0.00 ATOM 883 OG1 THR 107 43.293 25.791 42.489 1.00 0.00 ATOM 884 O THR 107 46.448 22.813 41.538 1.00 0.00 ATOM 885 C THR 107 45.225 22.701 41.578 1.00 0.00 ATOM 886 N ILE 108 44.611 21.537 41.774 1.00 0.00 ATOM 887 CA ILE 108 45.389 20.291 41.872 1.00 0.00 ATOM 888 CB ILE 108 44.497 19.091 42.317 1.00 0.00 ATOM 889 CG1 ILE 108 43.870 19.330 43.697 1.00 0.00 ATOM 890 CG2 ILE 108 45.308 17.770 42.310 1.00 0.00 ATOM 891 CD1 ILE 108 44.834 19.625 44.843 1.00 0.00 ATOM 892 O ILE 108 47.295 19.675 40.521 1.00 0.00 ATOM 893 C ILE 108 46.110 20.008 40.536 1.00 0.00 ATOM 894 N LYS 109 45.387 20.130 39.416 1.00 0.00 ATOM 895 CA LYS 109 46.014 20.026 38.101 1.00 0.00 ATOM 896 CB LYS 109 45.127 19.207 37.162 1.00 0.00 ATOM 897 CG LYS 109 44.914 17.769 37.605 1.00 0.00 ATOM 898 CD LYS 109 44.029 17.014 36.627 1.00 0.00 ATOM 899 CE LYS 109 43.910 15.547 37.009 1.00 0.00 ATOM 900 NZ LYS 109 42.993 14.809 36.097 1.00 0.00 ATOM 901 O LYS 109 46.784 21.457 36.344 1.00 0.00 ATOM 902 C LYS 109 46.251 21.384 37.449 1.00 0.00 TER END