PFRMAT TS TARGET T0476 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 This Pyrococcus target is an ORFan (only almost identical sequences METHOD from Pyrococcus and Thermococcus species found). That means that the METHOD HMMs and neural nets are not nearly as effective as usual in METHOD predicting remote homologs and local structure. METHOD METHOD We ended up with no decent models from SAM+undertaker, so were reduced METHOD to using only metaserver predictions. We expected the four CYS METHOD residues to cluster, mostly likely as a zinc-binding site, though with METHOD a hyperthermophile protein, a pair of disulfides is possible. METHOD METHOD Searching the server models for possible zinc-binding sites came up METHOD with three potential models, which were further optimized to improve METHOD the binding site and packing. METHOD METHOD Firas Khatib and Josue Samayoa assisted on predicting the structure METHOD for this protein. METHOD METHOD Model METHOD METHOD 1 T0476.try12-opt3.pdb # < T0476.try8-opt3 < BAKER-ROBETTA_TS5 #best scoring with try12.costfcn METHOD METHOD 2 T0476.try10-opt3.gromacs0.repack-nonPC.pdb # < T0476.try5-opt3 < try2-opt3 < MQAU1-opt3.gromacs0 < BAKER-ROBETTA_TS5 METHOD # best Rosetta energy METHOD METHOD 3 T0476.try11-opt3.pdb # < T0476.MQAY6-opt3 < BAKER-ROBETTA_TS2 METHOD METHOD 4 T0476.MQAY6-opt3.pdb # < BAKER-ROBETTA_TS2 METHOD METHOD 5 T0476.MQAY13-opt3.pdb # < RBO-Proteus_TS1 METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0476 model 3 Fri Jul 25 17:24:01 2008 MODEL 3 PARENT N/A ATOM 1 N SER 1 25.848 29.615 6.026 1.00 0.00 ATOM 2 CA SER 1 24.929 30.667 5.642 1.00 0.00 ATOM 3 CB SER 1 25.436 31.394 4.394 1.00 0.00 ATOM 4 OG SER 1 25.474 30.521 3.277 1.00 0.00 ATOM 5 O SER 1 22.602 30.918 5.102 1.00 0.00 ATOM 6 C SER 1 23.543 30.144 5.297 1.00 0.00 ATOM 7 N ALA 2 23.424 28.825 5.198 1.00 0.00 ATOM 8 CA ALA 2 22.144 28.206 4.886 1.00 0.00 ATOM 9 CB ALA 2 22.299 27.056 3.902 1.00 0.00 ATOM 10 O ALA 2 20.898 28.355 6.907 1.00 0.00 ATOM 11 C ALA 2 21.587 27.627 6.186 1.00 0.00 ATOM 12 N LYS 3 21.889 26.379 6.521 1.00 0.00 ATOM 13 CA LYS 3 21.266 25.752 7.657 1.00 0.00 ATOM 14 CB LYS 3 21.662 24.285 7.631 1.00 0.00 ATOM 15 CG LYS 3 20.662 23.333 6.981 1.00 0.00 ATOM 16 CD LYS 3 19.918 23.863 5.785 1.00 0.00 ATOM 17 CE LYS 3 19.638 22.764 4.770 1.00 0.00 ATOM 18 NZ LYS 3 19.407 21.407 5.363 1.00 0.00 ATOM 19 O LYS 3 21.114 26.112 10.017 1.00 0.00 ATOM 20 C LYS 3 21.790 26.277 8.980 1.00 0.00 ATOM 21 N CYS 4 22.991 26.719 8.921 1.00 0.00 ATOM 22 CA CYS 4 23.641 27.241 10.120 1.00 0.00 ATOM 23 CB CYS 4 24.747 26.277 10.554 1.00 0.00 ATOM 24 SG CYS 4 25.705 26.832 11.983 1.00 0.00 ATOM 25 O CYS 4 25.440 28.515 9.188 1.00 0.00 ATOM 26 C CYS 4 24.304 28.532 9.658 1.00 0.00 ATOM 27 N PRO 5 23.612 29.634 9.788 1.00 0.00 ATOM 28 CA PRO 5 24.107 30.940 9.394 1.00 0.00 ATOM 29 CB PRO 5 22.858 31.826 9.407 1.00 0.00 ATOM 30 CG PRO 5 21.996 31.238 10.471 1.00 0.00 ATOM 31 CD PRO 5 22.207 29.751 10.407 1.00 0.00 ATOM 32 O PRO 5 25.856 32.455 10.029 1.00 0.00 ATOM 33 C PRO 5 25.207 31.450 10.319 1.00 0.00 ATOM 34 N ILE 6 25.416 30.753 11.432 1.00 0.00 ATOM 35 CA ILE 6 26.442 31.147 12.382 1.00 0.00 ATOM 36 CB ILE 6 26.234 30.474 13.752 1.00 0.00 ATOM 37 CG1 ILE 6 24.915 30.933 14.376 1.00 0.00 ATOM 38 CG2 ILE 6 27.367 30.835 14.700 1.00 0.00 ATOM 39 CD1 ILE 6 24.516 30.147 15.607 1.00 0.00 ATOM 40 O ILE 6 28.663 31.688 11.657 1.00 0.00 ATOM 41 C ILE 6 27.817 30.807 11.821 1.00 0.00 ATOM 42 N CYS 7 28.038 29.530 11.528 1.00 0.00 ATOM 43 CA CYS 7 29.318 29.091 10.984 1.00 0.00 ATOM 44 CB CYS 7 30.049 28.291 12.066 1.00 0.00 ATOM 45 SG CYS 7 29.266 26.716 12.484 1.00 0.00 ATOM 46 O CYS 7 30.155 27.785 9.153 1.00 0.00 ATOM 47 C CYS 7 29.172 28.126 9.812 1.00 0.00 ATOM 48 N GLY 8 27.944 27.690 9.553 1.00 0.00 ATOM 49 CA GLY 8 27.687 26.768 8.455 1.00 0.00 ATOM 50 O GLY 8 28.075 24.473 7.897 1.00 0.00 ATOM 51 C GLY 8 28.016 25.320 8.788 1.00 0.00 ATOM 52 N SER 9 28.232 25.036 10.074 1.00 0.00 ATOM 53 CA SER 9 28.552 23.695 10.519 1.00 0.00 ATOM 54 CB SER 9 28.361 23.541 12.019 1.00 0.00 ATOM 55 OG SER 9 27.040 23.818 12.437 1.00 0.00 ATOM 56 O SER 9 26.434 23.075 9.566 1.00 0.00 ATOM 57 C SER 9 27.588 22.733 9.830 1.00 0.00 ATOM 58 N PRO 10 28.046 21.562 9.481 1.00 0.00 ATOM 59 CA PRO 10 27.181 20.576 8.827 1.00 0.00 ATOM 60 CB PRO 10 28.065 19.333 8.762 1.00 0.00 ATOM 61 CG PRO 10 29.438 19.916 8.607 1.00 0.00 ATOM 62 CD PRO 10 29.423 21.050 9.607 1.00 0.00 ATOM 63 O PRO 10 25.001 19.650 9.203 1.00 0.00 ATOM 64 C PRO 10 25.953 20.271 9.677 1.00 0.00 ATOM 65 N LEU 11 25.976 20.707 10.933 1.00 0.00 ATOM 66 CA LEU 11 24.858 20.474 11.830 1.00 0.00 ATOM 67 CB LEU 11 25.127 21.026 13.271 1.00 0.00 ATOM 68 CG LEU 11 26.002 20.123 14.161 1.00 0.00 ATOM 69 CD1 LEU 11 25.439 18.657 14.123 1.00 0.00 ATOM 70 CD2 LEU 11 27.404 20.093 13.613 1.00 0.00 ATOM 71 O LEU 11 23.774 22.389 10.879 1.00 0.00 ATOM 72 C LEU 11 23.642 21.265 11.366 1.00 0.00 ATOM 73 N LYS 12 22.460 20.679 11.519 1.00 0.00 ATOM 74 CA LYS 12 21.228 21.346 11.112 1.00 0.00 ATOM 75 CB LYS 12 20.533 20.219 10.089 1.00 0.00 ATOM 76 CG LYS 12 21.444 19.296 9.263 1.00 0.00 ATOM 77 CD LYS 12 21.321 17.853 9.740 1.00 0.00 ATOM 78 CE LYS 12 22.114 16.843 8.880 1.00 0.00 ATOM 79 NZ LYS 12 22.785 17.428 7.671 1.00 0.00 ATOM 80 O LYS 12 19.530 21.999 12.676 1.00 0.00 ATOM 81 C LYS 12 20.645 22.233 12.207 1.00 0.00 ATOM 82 N TRP 13 21.399 23.249 12.613 1.00 0.00 ATOM 83 CA TRP 13 20.940 24.161 13.651 1.00 0.00 ATOM 84 CB TRP 13 21.915 25.407 13.635 1.00 0.00 ATOM 85 CG TRP 13 21.599 26.555 14.561 1.00 0.00 ATOM 86 CD1 TRP 13 21.509 27.881 14.212 1.00 0.00 ATOM 87 CD2 TRP 13 21.278 26.491 15.970 1.00 0.00 ATOM 88 CE2 TRP 13 20.982 27.823 16.396 1.00 0.00 ATOM 89 CE3 TRP 13 21.213 25.446 16.910 1.00 0.00 ATOM 90 NE1 TRP 13 21.128 28.645 15.312 1.00 0.00 ATOM 91 CZ2 TRP 13 20.626 28.124 17.726 1.00 0.00 ATOM 92 CZ3 TRP 13 20.854 25.744 18.227 1.00 0.00 ATOM 93 CH2 TRP 13 20.563 27.072 18.622 1.00 0.00 ATOM 94 O TRP 13 18.729 24.650 14.446 1.00 0.00 ATOM 95 C TRP 13 19.470 24.523 13.469 1.00 0.00 ATOM 96 N GLU 14 19.049 24.688 12.218 1.00 0.00 ATOM 97 CA GLU 14 17.665 25.033 11.928 1.00 0.00 ATOM 98 CB GLU 14 17.506 25.475 10.493 1.00 0.00 ATOM 99 CG GLU 14 16.091 25.907 10.159 1.00 0.00 ATOM 100 CD GLU 14 15.678 27.247 10.745 1.00 0.00 ATOM 101 OE1 GLU 14 16.529 27.991 11.295 1.00 0.00 ATOM 102 OE2 GLU 14 14.459 27.555 10.635 1.00 0.00 ATOM 103 O GLU 14 15.765 23.902 12.860 1.00 0.00 ATOM 104 C GLU 14 16.786 23.812 12.177 1.00 0.00 ATOM 105 N GLU 15 17.183 22.670 11.624 1.00 0.00 ATOM 106 CA GLU 15 16.420 21.442 11.798 1.00 0.00 ATOM 107 CB GLU 15 17.080 20.314 10.990 1.00 0.00 ATOM 108 CG GLU 15 16.683 18.923 11.474 1.00 0.00 ATOM 109 CD GLU 15 17.171 17.805 10.563 1.00 0.00 ATOM 110 OE1 GLU 15 17.592 18.099 9.428 1.00 0.00 ATOM 111 OE2 GLU 15 17.133 16.630 10.993 1.00 0.00 ATOM 112 O GLU 15 15.244 20.690 13.748 1.00 0.00 ATOM 113 C GLU 15 16.323 21.032 13.263 1.00 0.00 ATOM 114 N LEU 16 17.451 21.069 13.965 1.00 0.00 ATOM 115 CA LEU 16 17.475 20.701 15.376 1.00 0.00 ATOM 116 CB LEU 16 18.888 20.882 15.931 1.00 0.00 ATOM 117 CG LEU 16 19.945 19.896 15.434 1.00 0.00 ATOM 118 CD1 LEU 16 21.330 20.298 15.919 1.00 0.00 ATOM 119 CD2 LEU 16 19.652 18.492 15.944 1.00 0.00 ATOM 120 O LEU 16 15.750 21.089 16.997 1.00 0.00 ATOM 121 C LEU 16 16.516 21.582 16.169 1.00 0.00 ATOM 122 N ILE 17 16.559 22.886 15.913 1.00 0.00 ATOM 123 CA ILE 17 15.686 23.821 16.610 1.00 0.00 ATOM 124 CB ILE 17 15.986 25.267 16.221 1.00 0.00 ATOM 125 CG1 ILE 17 17.340 25.695 16.791 1.00 0.00 ATOM 126 CG2 ILE 17 14.875 26.228 16.655 1.00 0.00 ATOM 127 CD1 ILE 17 17.410 25.748 18.316 1.00 0.00 ATOM 128 O ILE 17 13.404 23.434 17.243 1.00 0.00 ATOM 129 C ILE 17 14.226 23.486 16.326 1.00 0.00 ATOM 130 N GLU 18 13.903 23.261 15.056 1.00 0.00 ATOM 131 CA GLU 18 12.540 22.931 14.672 1.00 0.00 ATOM 132 CB GLU 18 12.382 22.849 13.158 1.00 0.00 ATOM 133 CG GLU 18 12.477 24.158 12.411 1.00 0.00 ATOM 134 CD GLU 18 12.170 23.989 10.928 1.00 0.00 ATOM 135 OE1 GLU 18 12.692 23.036 10.312 1.00 0.00 ATOM 136 OE2 GLU 18 11.410 24.804 10.371 1.00 0.00 ATOM 137 O GLU 18 11.057 21.461 15.855 1.00 0.00 ATOM 138 C GLU 18 12.121 21.582 15.247 1.00 0.00 ATOM 139 N GLU 19 12.961 20.570 15.057 1.00 0.00 ATOM 140 CA GLU 19 12.666 19.239 15.566 1.00 0.00 ATOM 141 CB GLU 19 13.785 18.247 15.347 1.00 0.00 ATOM 142 CG GLU 19 13.388 16.836 15.792 1.00 0.00 ATOM 143 CD GLU 19 14.443 15.771 15.463 1.00 0.00 ATOM 144 OE1 GLU 19 15.028 15.807 14.351 1.00 0.00 ATOM 145 OE2 GLU 19 14.673 14.872 16.292 1.00 0.00 ATOM 146 O GLU 19 11.449 18.835 17.592 1.00 0.00 ATOM 147 C GLU 19 12.480 19.271 17.076 1.00 0.00 ATOM 148 N MET 20 13.478 19.786 17.786 1.00 0.00 ATOM 149 CA MET 20 13.408 19.868 19.241 1.00 0.00 ATOM 150 CB MET 20 14.660 20.562 19.779 1.00 0.00 ATOM 151 CG MET 20 15.931 19.754 19.589 1.00 0.00 ATOM 152 SD MET 20 17.397 20.641 20.145 1.00 0.00 ATOM 153 CE MET 20 17.313 20.344 21.899 1.00 0.00 ATOM 154 O MET 20 11.548 20.305 20.690 1.00 0.00 ATOM 155 C MET 20 12.226 20.691 19.736 1.00 0.00 ATOM 156 N LEU 21 11.979 21.826 19.088 1.00 0.00 ATOM 157 CA LEU 21 10.871 22.691 19.475 1.00 0.00 ATOM 158 CB LEU 21 10.912 23.995 18.677 1.00 0.00 ATOM 159 CG LEU 21 9.783 24.991 18.948 1.00 0.00 ATOM 160 CD1 LEU 21 9.806 25.448 20.397 1.00 0.00 ATOM 161 CD2 LEU 21 9.924 26.218 18.060 1.00 0.00 ATOM 162 O LEU 21 8.623 22.099 20.071 1.00 0.00 ATOM 163 C LEU 21 9.514 22.041 19.222 1.00 0.00 ATOM 164 N ILE 22 9.361 21.422 18.056 1.00 0.00 ATOM 165 CA ILE 22 8.108 20.765 17.710 1.00 0.00 ATOM 166 CB ILE 22 8.244 20.207 16.258 1.00 0.00 ATOM 167 CG1 ILE 22 8.172 21.376 15.266 1.00 0.00 ATOM 168 CG2 ILE 22 7.130 19.170 15.961 1.00 0.00 ATOM 169 CD1 ILE 22 8.586 21.011 13.822 1.00 0.00 ATOM 170 O ILE 22 6.625 19.508 19.113 1.00 0.00 ATOM 171 C ILE 22 7.762 19.621 18.654 1.00 0.00 ATOM 172 N ILE 23 8.744 18.774 18.942 1.00 0.00 ATOM 173 CA ILE 23 8.527 17.643 19.837 1.00 0.00 ATOM 174 CB ILE 23 9.369 16.406 19.469 1.00 0.00 ATOM 175 CG1 ILE 23 10.859 16.709 19.630 1.00 0.00 ATOM 176 CG2 ILE 23 9.114 15.998 18.024 1.00 0.00 ATOM 177 CD1 ILE 23 11.748 15.491 19.491 1.00 0.00 ATOM 178 O ILE 23 8.645 17.165 22.171 1.00 0.00 ATOM 179 C ILE 23 8.855 17.998 21.272 1.00 0.00 ATOM 180 N GLU 24 9.277 19.190 21.419 1.00 0.00 ATOM 181 CA GLU 24 9.623 19.681 22.747 1.00 0.00 ATOM 182 CB GLU 24 8.400 19.697 23.666 1.00 0.00 ATOM 183 CG GLU 24 7.290 20.626 23.204 1.00 0.00 ATOM 184 CD GLU 24 6.107 20.635 24.153 1.00 0.00 ATOM 185 OE1 GLU 24 6.129 19.868 25.139 1.00 0.00 ATOM 186 OE2 GLU 24 5.157 21.409 23.910 1.00 0.00 ATOM 187 O GLU 24 10.713 18.627 24.605 1.00 0.00 ATOM 188 C GLU 24 10.707 18.826 23.390 1.00 0.00 ATOM 189 N ASN 25 11.625 18.319 22.573 1.00 0.00 ATOM 190 CA ASN 25 12.711 17.487 23.079 1.00 0.00 ATOM 191 CB ASN 25 13.450 16.825 21.914 1.00 0.00 ATOM 192 CG ASN 25 14.372 15.711 22.369 1.00 0.00 ATOM 193 ND2 ASN 25 15.662 15.863 22.093 1.00 0.00 ATOM 194 OD1 ASN 25 13.928 14.726 22.960 1.00 0.00 ATOM 195 O ASN 25 14.453 17.728 24.701 1.00 0.00 ATOM 196 C ASN 25 13.722 18.289 23.886 1.00 0.00 ATOM 197 N PHE 26 13.761 19.604 23.660 1.00 0.00 ATOM 198 CA PHE 26 14.680 20.474 24.366 1.00 0.00 ATOM 199 CB PHE 26 14.588 21.834 23.532 1.00 0.00 ATOM 200 CG PHE 26 15.645 22.878 23.354 1.00 0.00 ATOM 201 CD1 PHE 26 16.263 23.494 24.420 1.00 0.00 ATOM 202 CD2 PHE 26 16.036 23.280 22.085 1.00 0.00 ATOM 203 CE1 PHE 26 17.226 24.461 24.251 1.00 0.00 ATOM 204 CE2 PHE 26 16.988 24.260 21.888 1.00 0.00 ATOM 205 CZ PHE 26 17.587 24.867 22.979 1.00 0.00 ATOM 206 O PHE 26 15.416 20.502 26.649 1.00 0.00 ATOM 207 C PHE 26 14.466 20.387 25.873 1.00 0.00 ATOM 208 N GLU 27 13.218 20.185 26.285 1.00 0.00 ATOM 209 CA GLU 27 12.900 20.083 27.702 1.00 0.00 ATOM 210 CB GLU 27 11.389 19.320 27.740 1.00 0.00 ATOM 211 CG GLU 27 10.081 19.960 27.413 1.00 0.00 ATOM 212 CD GLU 27 8.964 18.925 27.487 1.00 0.00 ATOM 213 OE1 GLU 27 8.761 18.237 26.487 1.00 0.00 ATOM 214 OE2 GLU 27 8.291 18.820 28.523 1.00 0.00 ATOM 215 O GLU 27 14.099 19.044 29.499 1.00 0.00 ATOM 216 C GLU 27 13.701 18.954 28.337 1.00 0.00 ATOM 217 N GLU 28 13.939 17.894 27.573 1.00 0.00 ATOM 218 CA GLU 28 14.699 16.755 28.077 1.00 0.00 ATOM 219 CB GLU 28 14.789 15.655 27.057 1.00 0.00 ATOM 220 CG GLU 28 15.698 14.475 27.409 1.00 0.00 ATOM 221 CD GLU 28 15.276 13.763 28.680 1.00 0.00 ATOM 222 OE1 GLU 28 14.106 13.884 29.070 1.00 0.00 ATOM 223 OE2 GLU 28 16.113 13.074 29.280 1.00 0.00 ATOM 224 O GLU 28 16.681 16.888 29.423 1.00 0.00 ATOM 225 C GLU 28 16.150 17.142 28.341 1.00 0.00 ATOM 226 N ILE 29 16.791 17.759 27.352 1.00 0.00 ATOM 227 CA ILE 29 18.178 18.175 27.495 1.00 0.00 ATOM 228 CB ILE 29 18.679 18.717 26.096 1.00 0.00 ATOM 229 CG1 ILE 29 18.720 17.574 25.081 1.00 0.00 ATOM 230 CG2 ILE 29 20.054 19.362 26.238 1.00 0.00 ATOM 231 CD1 ILE 29 19.061 18.008 23.668 1.00 0.00 ATOM 232 O ILE 29 19.367 19.151 29.336 1.00 0.00 ATOM 233 C ILE 29 18.342 19.153 28.655 1.00 0.00 ATOM 234 N VAL 30 17.329 19.984 28.877 1.00 0.00 ATOM 235 CA VAL 30 17.377 20.957 29.961 1.00 0.00 ATOM 236 CB VAL 30 16.142 21.874 29.903 1.00 0.00 ATOM 237 CG1 VAL 30 16.106 22.794 31.117 1.00 0.00 ATOM 238 CG2 VAL 30 16.172 22.733 28.649 1.00 0.00 ATOM 239 O VAL 30 18.076 20.739 32.244 1.00 0.00 ATOM 240 C VAL 30 17.408 20.271 31.320 1.00 0.00 ATOM 241 N LYS 31 16.687 19.162 31.442 1.00 0.00 ATOM 242 CA LYS 31 16.645 18.421 32.699 1.00 0.00 ATOM 243 CB LYS 31 15.329 17.438 32.165 1.00 0.00 ATOM 244 CG LYS 31 13.941 17.967 32.036 1.00 0.00 ATOM 245 CD LYS 31 12.916 16.798 32.134 1.00 0.00 ATOM 246 CE LYS 31 12.879 16.143 33.528 1.00 0.00 ATOM 247 NZ LYS 31 11.587 15.387 33.754 1.00 0.00 ATOM 248 O LYS 31 18.417 17.955 34.248 1.00 0.00 ATOM 249 C LYS 31 18.022 17.888 33.083 1.00 0.00 ATOM 250 N ASP 32 18.750 17.363 32.103 1.00 0.00 ATOM 251 CA ASP 32 20.080 16.826 32.357 1.00 0.00 ATOM 252 CB ASP 32 20.266 15.554 31.527 1.00 0.00 ATOM 253 CG ASP 32 19.495 14.375 32.086 1.00 0.00 ATOM 254 OD1 ASP 32 19.551 14.156 33.315 1.00 0.00 ATOM 255 OD2 ASP 32 18.830 13.671 31.294 1.00 0.00 ATOM 256 O ASP 32 21.673 17.794 30.850 1.00 0.00 ATOM 257 C ASP 32 21.201 17.788 31.988 1.00 0.00 ATOM 258 N ARG 33 21.626 18.602 32.949 1.00 0.00 ATOM 259 CA ARG 33 22.696 19.562 32.708 1.00 0.00 ATOM 260 CB ARG 33 22.802 20.522 33.912 1.00 0.00 ATOM 261 CG ARG 33 23.710 21.719 33.703 1.00 0.00 ATOM 262 CD ARG 33 23.855 22.547 34.985 1.00 0.00 ATOM 263 NE ARG 33 24.681 21.842 35.965 1.00 0.00 ATOM 264 CZ ARG 33 26.016 21.895 35.947 1.00 0.00 ATOM 265 NH1 ARG 33 26.737 21.228 36.828 1.00 0.00 ATOM 266 NH2 ARG 33 26.624 22.645 35.036 1.00 0.00 ATOM 267 O ARG 33 24.795 19.338 31.572 1.00 0.00 ATOM 268 C ARG 33 24.043 18.903 32.446 1.00 0.00 ATOM 269 N GLU 34 24.348 17.852 33.201 1.00 0.00 ATOM 270 CA GLU 34 25.610 17.142 33.035 1.00 0.00 ATOM 271 CB GLU 34 25.733 15.995 34.011 1.00 0.00 ATOM 272 CG GLU 34 25.989 16.461 35.435 1.00 0.00 ATOM 273 CD GLU 34 25.807 15.375 36.477 1.00 0.00 ATOM 274 OE1 GLU 34 25.067 14.403 36.225 1.00 0.00 ATOM 275 OE2 GLU 34 26.408 15.509 37.569 1.00 0.00 ATOM 276 O GLU 34 26.681 16.875 30.907 1.00 0.00 ATOM 277 C GLU 34 25.699 16.624 31.606 1.00 0.00 ATOM 278 N ARG 35 24.671 15.900 31.172 1.00 0.00 ATOM 279 CA ARG 35 24.648 15.356 29.820 1.00 0.00 ATOM 280 CB ARG 35 23.383 14.489 29.633 1.00 0.00 ATOM 281 CG ARG 35 23.252 13.892 28.227 1.00 0.00 ATOM 282 CD ARG 35 22.154 12.839 28.172 1.00 0.00 ATOM 283 NE ARG 35 20.828 13.381 28.458 1.00 0.00 ATOM 284 CZ ARG 35 20.102 14.093 27.601 1.00 0.00 ATOM 285 NH1 ARG 35 20.571 14.359 26.387 1.00 0.00 ATOM 286 NH2 ARG 35 18.901 14.533 27.953 1.00 0.00 ATOM 287 O ARG 35 25.430 16.352 27.782 1.00 0.00 ATOM 288 C ARG 35 24.723 16.473 28.785 1.00 0.00 ATOM 289 N PHE 36 23.997 17.559 29.028 1.00 0.00 ATOM 290 CA PHE 36 23.996 18.687 28.109 1.00 0.00 ATOM 291 CB PHE 36 22.960 19.707 28.600 1.00 0.00 ATOM 292 CG PHE 36 22.752 20.890 27.688 1.00 0.00 ATOM 293 CD1 PHE 36 22.808 20.760 26.302 1.00 0.00 ATOM 294 CD2 PHE 36 22.429 22.133 28.230 1.00 0.00 ATOM 295 CE1 PHE 36 22.543 21.858 25.473 1.00 0.00 ATOM 296 CE2 PHE 36 22.163 23.228 27.414 1.00 0.00 ATOM 297 CZ PHE 36 22.218 23.092 26.036 1.00 0.00 ATOM 298 O PHE 36 25.932 19.527 26.966 1.00 0.00 ATOM 299 C PHE 36 25.404 19.271 28.049 1.00 0.00 ATOM 300 N LEU 37 26.009 19.481 29.214 1.00 0.00 ATOM 301 CA LEU 37 27.356 20.033 29.275 1.00 0.00 ATOM 302 CB LEU 37 27.690 20.306 30.723 1.00 0.00 ATOM 303 CG LEU 37 29.116 20.760 31.023 1.00 0.00 ATOM 304 CD1 LEU 37 29.451 22.135 30.522 1.00 0.00 ATOM 305 CD2 LEU 37 29.266 20.594 32.546 1.00 0.00 ATOM 306 O LEU 37 29.228 19.554 27.836 1.00 0.00 ATOM 307 C LEU 37 28.317 19.094 28.525 1.00 0.00 ATOM 308 N ALA 38 28.106 17.789 28.663 1.00 0.00 ATOM 309 CA ALA 38 28.955 16.811 27.994 1.00 0.00 ATOM 310 CB ALA 38 28.483 15.447 28.440 1.00 0.00 ATOM 311 O ALA 38 29.856 17.057 25.784 1.00 0.00 ATOM 312 C ALA 38 28.846 16.939 26.478 1.00 0.00 ATOM 313 N GLN 39 27.618 16.915 25.968 1.00 0.00 ATOM 314 CA GLN 39 27.402 17.031 24.550 1.00 0.00 ATOM 315 CB GLN 39 25.913 16.776 24.301 1.00 0.00 ATOM 316 CG GLN 39 25.501 15.319 24.423 1.00 0.00 ATOM 317 CD GLN 39 24.004 15.127 24.285 1.00 0.00 ATOM 318 OE1 GLN 39 23.249 16.094 24.144 1.00 0.00 ATOM 319 NE2 GLN 39 23.562 13.875 24.328 1.00 0.00 ATOM 320 O GLN 39 28.325 18.476 22.918 1.00 0.00 ATOM 321 C GLN 39 27.811 18.401 24.040 1.00 0.00 ATOM 322 N VAL 40 27.627 19.428 24.865 1.00 0.00 ATOM 323 CA VAL 40 27.999 20.786 24.477 1.00 0.00 ATOM 324 CB VAL 40 27.303 21.808 25.467 1.00 0.00 ATOM 325 CG1 VAL 40 27.855 23.213 25.293 1.00 0.00 ATOM 326 CG2 VAL 40 25.795 21.808 25.272 1.00 0.00 ATOM 327 O VAL 40 29.975 21.721 23.489 1.00 0.00 ATOM 328 C VAL 40 29.507 20.962 24.338 1.00 0.00 ATOM 329 N GLU 41 30.266 20.259 25.174 1.00 0.00 ATOM 330 CA GLU 41 31.720 20.349 25.130 1.00 0.00 ATOM 331 CB GLU 41 32.339 19.438 26.191 1.00 0.00 ATOM 332 CG GLU 41 32.402 20.049 27.585 1.00 0.00 ATOM 333 CD GLU 41 32.849 19.041 28.604 1.00 0.00 ATOM 334 OE1 GLU 41 33.914 18.493 28.443 1.00 0.00 ATOM 335 OE2 GLU 41 32.184 18.899 29.603 1.00 0.00 ATOM 336 O GLU 41 32.776 20.722 23.007 1.00 0.00 ATOM 337 C GLU 41 32.198 19.923 23.746 1.00 0.00 ATOM 338 N GLU 42 31.956 18.662 23.396 1.00 0.00 ATOM 339 CA GLU 42 32.368 18.149 22.097 1.00 0.00 ATOM 340 CB GLU 42 31.918 16.697 21.926 1.00 0.00 ATOM 341 CG GLU 42 32.355 16.053 20.618 1.00 0.00 ATOM 342 CD GLU 42 31.966 14.602 20.565 1.00 0.00 ATOM 343 OE1 GLU 42 31.418 14.118 21.528 1.00 0.00 ATOM 344 OE2 GLU 42 32.113 14.005 19.525 1.00 0.00 ATOM 345 O GLU 42 32.400 19.127 19.920 1.00 0.00 ATOM 346 C GLU 42 31.806 18.979 20.964 1.00 0.00 ATOM 347 N PHE 43 30.567 19.477 21.151 1.00 0.00 ATOM 348 CA PHE 43 29.922 20.253 20.130 1.00 0.00 ATOM 349 CB PHE 43 28.509 20.638 20.571 1.00 0.00 ATOM 350 CG PHE 43 27.837 21.624 19.656 1.00 0.00 ATOM 351 CD1 PHE 43 27.307 21.215 18.442 1.00 0.00 ATOM 352 CD2 PHE 43 27.735 22.959 20.009 1.00 0.00 ATOM 353 CE1 PHE 43 26.690 22.121 17.600 1.00 0.00 ATOM 354 CE2 PHE 43 27.117 23.868 19.170 1.00 0.00 ATOM 355 CZ PHE 43 26.594 23.447 17.964 1.00 0.00 ATOM 356 O PHE 43 31.029 21.897 18.752 1.00 0.00 ATOM 357 C PHE 43 30.696 21.558 19.895 1.00 0.00 ATOM 358 N VAL 44 31.043 22.335 20.942 1.00 0.00 ATOM 359 CA VAL 44 31.771 23.606 20.770 1.00 0.00 ATOM 360 CB VAL 44 31.620 24.461 22.042 1.00 0.00 ATOM 361 CG1 VAL 44 30.151 24.665 22.374 1.00 0.00 ATOM 362 CG2 VAL 44 32.343 23.810 23.211 1.00 0.00 ATOM 363 O VAL 44 33.888 24.304 19.882 1.00 0.00 ATOM 364 C VAL 44 33.248 23.417 20.444 1.00 0.00 ATOM 365 N PHE 45 33.784 22.255 20.804 1.00 0.00 ATOM 366 CA PHE 45 35.157 21.906 20.462 1.00 0.00 ATOM 367 CB PHE 45 35.630 20.720 21.304 1.00 0.00 ATOM 368 CG PHE 45 35.712 21.016 22.776 1.00 0.00 ATOM 369 CD1 PHE 45 35.699 22.323 23.236 1.00 0.00 ATOM 370 CD2 PHE 45 35.800 19.987 23.700 1.00 0.00 ATOM 371 CE1 PHE 45 35.775 22.596 24.588 1.00 0.00 ATOM 372 CE2 PHE 45 35.873 20.256 25.053 1.00 0.00 ATOM 373 CZ PHE 45 35.861 21.563 25.497 1.00 0.00 ATOM 374 O PHE 45 36.244 22.025 18.327 1.00 0.00 ATOM 375 C PHE 45 35.258 21.648 18.962 1.00 0.00 ATOM 376 N LYS 46 34.240 21.006 18.400 1.00 0.00 ATOM 377 CA LYS 46 34.230 20.709 16.974 1.00 0.00 ATOM 378 CB LYS 46 33.671 19.299 16.778 1.00 0.00 ATOM 379 CG LYS 46 34.540 18.191 17.360 1.00 0.00 ATOM 380 CD LYS 46 33.928 16.820 17.113 1.00 0.00 ATOM 381 CE LYS 46 34.851 15.707 17.587 1.00 0.00 ATOM 382 NZ LYS 46 34.234 14.363 17.421 1.00 0.00 ATOM 383 O LYS 46 33.354 21.613 14.936 1.00 0.00 ATOM 384 C LYS 46 33.445 21.725 16.160 1.00 0.00 ATOM 385 N CYS 47 32.880 22.718 16.836 1.00 0.00 ATOM 386 CA CYS 47 32.106 23.752 16.158 1.00 0.00 ATOM 387 CB CYS 47 30.662 23.251 16.122 1.00 0.00 ATOM 388 SG CYS 47 29.560 24.215 15.060 1.00 0.00 ATOM 389 O CYS 47 31.210 25.613 17.398 1.00 0.00 ATOM 390 C CYS 47 32.203 25.086 16.889 1.00 0.00 ATOM 391 N PRO 48 33.414 25.634 16.960 1.00 0.00 ATOM 392 CA PRO 48 33.613 26.913 17.644 1.00 0.00 ATOM 393 CB PRO 48 35.109 27.190 17.442 1.00 0.00 ATOM 394 CG PRO 48 35.458 26.412 16.200 1.00 0.00 ATOM 395 CD PRO 48 34.677 25.139 16.384 1.00 0.00 ATOM 396 O PRO 48 32.625 29.092 17.818 1.00 0.00 ATOM 397 C PRO 48 32.803 28.094 17.119 1.00 0.00 ATOM 398 N VAL 49 32.312 27.978 15.889 1.00 0.00 ATOM 399 CA VAL 49 31.523 29.042 15.291 1.00 0.00 ATOM 400 CB VAL 49 31.114 28.712 13.846 1.00 0.00 ATOM 401 CG1 VAL 49 32.364 28.643 12.985 1.00 0.00 ATOM 402 CG2 VAL 49 30.355 27.398 13.780 1.00 0.00 ATOM 403 O VAL 49 29.851 30.477 16.238 1.00 0.00 ATOM 404 C VAL 49 30.234 29.320 16.051 1.00 0.00 ATOM 405 N CYS 50 29.565 28.260 16.493 1.00 0.00 ATOM 406 CA CYS 50 28.320 28.408 17.236 1.00 0.00 ATOM 407 CB CYS 50 27.564 27.095 17.028 1.00 0.00 ATOM 408 SG CYS 50 27.050 26.786 15.323 1.00 0.00 ATOM 409 O CYS 50 27.903 29.315 19.417 1.00 0.00 ATOM 410 C CYS 50 28.622 28.601 18.718 1.00 0.00 ATOM 411 N GLY 51 29.685 27.962 19.195 1.00 0.00 ATOM 412 CA GLY 51 30.069 28.076 20.594 1.00 0.00 ATOM 413 O GLY 51 30.056 30.063 21.938 1.00 0.00 ATOM 414 C GLY 51 30.488 29.503 20.931 1.00 0.00 ATOM 415 N GLU 52 31.330 30.090 20.085 1.00 0.00 ATOM 416 CA GLU 52 31.807 31.476 20.305 1.00 0.00 ATOM 417 CB GLU 52 32.776 31.887 19.195 1.00 0.00 ATOM 418 CG GLU 52 33.345 33.291 19.346 1.00 0.00 ATOM 419 CD GLU 52 34.306 33.614 18.235 1.00 0.00 ATOM 420 OE1 GLU 52 34.550 32.757 17.420 1.00 0.00 ATOM 421 OE2 GLU 52 34.708 34.748 18.136 1.00 0.00 ATOM 422 O GLU 52 30.534 33.196 21.387 1.00 0.00 ATOM 423 C GLU 52 30.642 32.451 20.412 1.00 0.00 ATOM 424 N GLU 53 29.770 32.446 19.409 1.00 0.00 ATOM 425 CA GLU 53 28.615 33.336 19.407 1.00 0.00 ATOM 426 CB GLU 53 27.796 33.209 18.112 1.00 0.00 ATOM 427 CG GLU 53 28.379 33.956 16.922 1.00 0.00 ATOM 428 CD GLU 53 27.555 33.773 15.659 1.00 0.00 ATOM 429 OE1 GLU 53 26.310 33.765 15.759 1.00 0.00 ATOM 430 OE2 GLU 53 28.153 33.651 14.567 1.00 0.00 ATOM 431 O GLU 53 27.285 33.904 21.326 1.00 0.00 ATOM 432 C GLU 53 27.722 33.006 20.604 1.00 0.00 ATOM 433 N PHE 54 27.457 31.720 20.812 1.00 0.00 ATOM 434 CA PHE 54 26.620 31.292 21.928 1.00 0.00 ATOM 435 CB PHE 54 26.589 29.741 22.015 1.00 0.00 ATOM 436 CG PHE 54 25.665 29.049 21.050 1.00 0.00 ATOM 437 CD1 PHE 54 24.750 29.746 20.271 1.00 0.00 ATOM 438 CD2 PHE 54 25.700 27.660 20.962 1.00 0.00 ATOM 439 CE1 PHE 54 23.877 29.067 19.417 1.00 0.00 ATOM 440 CE2 PHE 54 24.839 26.972 20.119 1.00 0.00 ATOM 441 CZ PHE 54 23.924 27.673 19.343 1.00 0.00 ATOM 442 O PHE 54 26.283 32.209 24.119 1.00 0.00 ATOM 443 C PHE 54 27.095 31.874 23.254 1.00 0.00 ATOM 444 N TYR 55 28.408 31.996 23.413 1.00 0.00 ATOM 445 CA TYR 55 28.940 32.525 24.601 1.00 0.00 ATOM 446 CB TYR 55 30.463 32.379 24.610 1.00 0.00 ATOM 447 CG TYR 55 30.943 30.948 24.508 1.00 0.00 ATOM 448 CD1 TYR 55 30.113 29.893 24.856 1.00 0.00 ATOM 449 CD2 TYR 55 32.224 30.657 24.064 1.00 0.00 ATOM 450 CE1 TYR 55 30.546 28.584 24.767 1.00 0.00 ATOM 451 CE2 TYR 55 32.669 29.354 23.969 1.00 0.00 ATOM 452 CZ TYR 55 31.826 28.319 24.321 1.00 0.00 ATOM 453 OH TYR 55 32.263 27.018 24.228 1.00 0.00 ATOM 454 O TYR 55 28.060 34.439 25.740 1.00 0.00 ATOM 455 C TYR 55 28.537 33.987 24.699 1.00 0.00 ATOM 456 N GLY 56 28.727 34.728 23.611 1.00 0.00 ATOM 457 CA GLY 56 28.374 36.143 23.590 1.00 0.00 ATOM 458 O GLY 56 26.503 37.607 23.911 1.00 0.00 ATOM 459 C GLY 56 26.890 36.484 23.582 1.00 0.00 ATOM 460 N LYS 57 26.059 35.517 23.208 1.00 0.00 ATOM 461 CA LYS 57 24.617 35.732 23.166 1.00 0.00 ATOM 462 CB LYS 57 24.000 34.766 22.154 1.00 0.00 ATOM 463 CG LYS 57 24.386 35.040 20.707 1.00 0.00 ATOM 464 CD LYS 57 23.831 36.373 20.228 1.00 0.00 ATOM 465 CE LYS 57 24.104 36.586 18.746 1.00 0.00 ATOM 466 NZ LYS 57 23.616 37.911 18.275 1.00 0.00 ATOM 467 O LYS 57 22.788 35.967 24.700 1.00 0.00 ATOM 468 C LYS 57 23.926 35.535 24.511 1.00 0.00 ATOM 469 N THR 58 24.614 34.883 25.443 1.00 0.00 ATOM 470 CA THR 58 24.051 34.640 26.763 1.00 0.00 ATOM 471 CB THR 58 24.159 33.146 27.120 1.00 0.00 ATOM 472 CG2 THR 58 23.419 32.299 26.097 1.00 0.00 ATOM 473 OG1 THR 58 25.539 32.758 27.147 1.00 0.00 ATOM 474 O THR 58 24.200 35.650 28.934 1.00 0.00 ATOM 475 C THR 58 24.759 35.429 27.859 1.00 0.00 ATOM 476 N LEU 59 25.989 35.854 27.586 1.00 0.00 ATOM 477 CA LEU 59 26.755 36.619 28.558 1.00 0.00 ATOM 478 CB LEU 59 28.210 36.131 28.623 1.00 0.00 ATOM 479 CG LEU 59 28.395 34.698 29.134 1.00 0.00 ATOM 480 CD1 LEU 59 29.853 34.281 29.001 1.00 0.00 ATOM 481 CD2 LEU 59 27.940 34.613 30.583 1.00 0.00 ATOM 482 O LEU 59 26.684 38.484 27.052 1.00 0.00 ATOM 483 C LEU 59 26.683 38.102 28.222 1.00 0.00 ATOM 484 N PRO 60 26.618 38.936 29.255 1.00 0.00 ATOM 485 CA PRO 60 26.684 40.381 29.077 1.00 0.00 ATOM 486 CB PRO 60 26.241 40.946 30.431 1.00 0.00 ATOM 487 CG PRO 60 26.631 39.897 31.416 1.00 0.00 ATOM 488 CD PRO 60 26.430 38.585 30.705 1.00 0.00 ATOM 489 O PRO 60 29.038 40.020 28.783 1.00 0.00 ATOM 490 C PRO 60 28.099 40.815 28.717 1.00 0.00 ATOM 491 N ARG 61 28.254 42.044 28.342 1.00 0.00 ATOM 492 CA ARG 61 29.532 42.607 27.921 1.00 0.00 ATOM 493 CB ARG 61 29.193 44.297 28.084 1.00 0.00 ATOM 494 CG ARG 61 27.773 44.809 27.845 1.00 0.00 ATOM 495 CD ARG 61 27.450 44.863 26.366 1.00 0.00 ATOM 496 NE ARG 61 28.189 45.909 25.660 1.00 0.00 ATOM 497 CZ ARG 61 27.864 47.199 25.669 1.00 0.00 ATOM 498 NH1 ARG 61 26.801 47.617 26.349 1.00 0.00 ATOM 499 NH2 ARG 61 28.602 48.076 24.998 1.00 0.00 ATOM 500 O ARG 61 31.738 42.091 28.711 1.00 0.00 ATOM 501 C ARG 61 30.581 42.392 29.007 1.00 0.00 ATOM 502 N ARG 62 30.176 42.547 30.264 1.00 0.00 ATOM 503 CA ARG 62 31.091 42.364 31.376 1.00 0.00 ATOM 504 CB ARG 62 30.426 42.707 32.701 1.00 0.00 ATOM 505 CG ARG 62 31.342 42.638 33.913 1.00 0.00 ATOM 506 CD ARG 62 30.702 43.055 35.189 1.00 0.00 ATOM 507 NE ARG 62 31.569 42.971 36.352 1.00 0.00 ATOM 508 CZ ARG 62 31.187 43.252 37.613 1.00 0.00 ATOM 509 NH1 ARG 62 29.968 43.668 37.874 1.00 0.00 ATOM 510 NH2 ARG 62 32.078 43.119 38.581 1.00 0.00 ATOM 511 O ARG 62 32.928 40.835 31.552 1.00 0.00 ATOM 512 C ARG 62 31.713 40.976 31.399 1.00 0.00 ATOM 513 N GLU 63 30.882 39.950 31.248 1.00 0.00 ATOM 514 CA GLU 63 31.369 38.576 31.251 1.00 0.00 ATOM 515 CB GLU 63 30.280 37.663 31.819 1.00 0.00 ATOM 516 CG GLU 63 29.781 38.065 33.200 1.00 0.00 ATOM 517 CD GLU 63 30.909 38.133 34.191 1.00 0.00 ATOM 518 OE1 GLU 63 31.615 37.163 34.326 1.00 0.00 ATOM 519 OE2 GLU 63 31.137 39.190 34.729 1.00 0.00 ATOM 520 O GLU 63 32.621 37.122 29.818 1.00 0.00 ATOM 521 C GLU 63 31.858 38.086 29.894 1.00 0.00 ATOM 522 N ALA 64 31.569 38.930 28.988 1.00 0.00 ATOM 523 CA ALA 64 32.035 38.566 27.655 1.00 0.00 ATOM 524 CB ALA 64 31.148 39.217 26.604 1.00 0.00 ATOM 525 O ALA 64 34.268 38.200 26.859 1.00 0.00 ATOM 526 C ALA 64 33.511 38.922 27.507 1.00 0.00 ATOM 527 N GLU 65 33.915 40.035 28.111 1.00 0.00 ATOM 528 CA GLU 65 35.303 40.470 28.038 1.00 0.00 ATOM 529 CB GLU 65 35.476 41.800 28.775 1.00 0.00 ATOM 530 CG GLU 65 34.860 42.997 28.065 1.00 0.00 ATOM 531 CD GLU 65 34.943 44.236 28.912 1.00 0.00 ATOM 532 OE1 GLU 65 35.396 44.142 30.028 1.00 0.00 ATOM 533 OE2 GLU 65 34.657 45.296 28.407 1.00 0.00 ATOM 534 O GLU 65 37.342 39.204 28.080 1.00 0.00 ATOM 535 C GLU 65 36.234 39.390 28.585 1.00 0.00 ATOM 536 N LYS 66 35.783 38.682 29.615 1.00 0.00 ATOM 537 CA LYS 66 36.587 37.623 30.214 1.00 0.00 ATOM 538 CB LYS 66 35.897 37.047 31.451 1.00 0.00 ATOM 539 CG LYS 66 35.875 37.984 32.653 1.00 0.00 ATOM 540 CD LYS 66 35.142 37.357 33.829 1.00 0.00 ATOM 541 CE LYS 66 34.991 38.343 34.979 1.00 0.00 ATOM 542 NZ LYS 66 34.155 37.791 36.079 1.00 0.00 ATOM 543 O LYS 66 37.932 36.080 28.945 1.00 0.00 ATOM 544 C LYS 66 36.816 36.557 29.146 1.00 0.00 ATOM 545 N VAL 67 35.753 36.196 28.432 1.00 0.00 ATOM 546 CA VAL 67 35.861 35.258 27.328 1.00 0.00 ATOM 547 CB VAL 67 34.476 34.899 26.764 1.00 0.00 ATOM 548 CG1 VAL 67 34.615 34.081 25.488 1.00 0.00 ATOM 549 CG2 VAL 67 33.658 34.138 27.797 1.00 0.00 ATOM 550 O VAL 67 37.549 35.040 25.637 1.00 0.00 ATOM 551 C VAL 67 36.735 35.780 26.192 1.00 0.00 ATOM 552 N PHE 68 36.565 37.053 25.848 1.00 0.00 ATOM 553 CA PHE 68 37.347 37.655 24.779 1.00 0.00 ATOM 554 CB PHE 68 36.893 39.093 24.523 1.00 0.00 ATOM 555 CG PHE 68 35.483 39.202 24.020 1.00 0.00 ATOM 556 CD1 PHE 68 34.818 38.089 23.529 1.00 0.00 ATOM 557 CD2 PHE 68 34.818 40.420 24.033 1.00 0.00 ATOM 558 CE1 PHE 68 33.519 38.189 23.064 1.00 0.00 ATOM 559 CE2 PHE 68 33.521 40.522 23.569 1.00 0.00 ATOM 560 CZ PHE 68 32.872 39.404 23.085 1.00 0.00 ATOM 561 O PHE 68 39.651 37.358 24.176 1.00 0.00 ATOM 562 C PHE 68 38.842 37.599 25.073 1.00 0.00 ATOM 563 N GLU 69 39.209 37.821 26.332 1.00 0.00 ATOM 564 CA GLU 69 40.610 37.789 26.726 1.00 0.00 ATOM 565 CB GLU 69 40.811 38.357 28.121 1.00 0.00 ATOM 566 CG GLU 69 40.589 39.863 28.213 1.00 0.00 ATOM 567 CD GLU 69 41.442 40.648 27.230 1.00 0.00 ATOM 568 OE1 GLU 69 42.659 40.369 27.137 1.00 0.00 ATOM 569 OE2 GLU 69 40.899 41.550 26.556 1.00 0.00 ATOM 570 O GLU 69 42.232 36.122 26.121 1.00 0.00 ATOM 571 C GLU 69 41.132 36.368 26.639 1.00 0.00 ATOM 572 N LEU 70 40.341 35.416 27.116 1.00 0.00 ATOM 573 CA LEU 70 40.739 34.020 27.003 1.00 0.00 ATOM 574 CB LEU 70 39.813 33.171 27.881 1.00 0.00 ATOM 575 CG LEU 70 39.870 33.484 29.383 1.00 0.00 ATOM 576 CD1 LEU 70 38.856 32.629 30.134 1.00 0.00 ATOM 577 CD2 LEU 70 41.278 33.232 29.902 1.00 0.00 ATOM 578 O LEU 70 41.729 32.792 25.187 1.00 0.00 ATOM 579 C LEU 70 40.860 33.588 25.543 1.00 0.00 ATOM 580 N LEU 71 39.970 34.107 24.696 1.00 0.00 ATOM 581 CA LEU 71 40.021 33.769 23.283 1.00 0.00 ATOM 582 CB LEU 71 38.642 34.213 22.664 1.00 0.00 ATOM 583 CG LEU 71 38.521 34.073 21.138 1.00 0.00 ATOM 584 CD1 LEU 71 38.604 32.623 20.692 1.00 0.00 ATOM 585 CD2 LEU 71 37.235 34.701 20.669 1.00 0.00 ATOM 586 O LEU 71 41.886 33.685 21.774 1.00 0.00 ATOM 587 C LEU 71 41.310 34.303 22.669 1.00 0.00 ATOM 588 N ASN 72 41.766 35.465 23.168 1.00 0.00 ATOM 589 CA ASN 72 42.996 36.050 22.658 1.00 0.00 ATOM 590 CB ASN 72 43.233 37.413 23.278 1.00 0.00 ATOM 591 CG ASN 72 42.321 38.486 22.747 1.00 0.00 ATOM 592 ND2 ASN 72 42.243 39.572 23.474 1.00 0.00 ATOM 593 OD1 ASN 72 41.754 38.363 21.656 1.00 0.00 ATOM 594 O ASN 72 45.041 34.947 22.057 1.00 0.00 ATOM 595 C ASN 72 44.157 35.091 22.903 1.00 0.00 ATOM 596 N ASP 73 44.153 34.437 24.060 1.00 0.00 ATOM 597 CA ASP 73 45.209 33.497 24.396 1.00 0.00 ATOM 598 CB ASP 73 45.220 33.212 25.901 1.00 0.00 ATOM 599 CG ASP 73 45.770 34.349 26.753 1.00 0.00 ATOM 600 OD1 ASP 73 46.355 35.249 26.199 1.00 0.00 ATOM 601 OD2 ASP 73 45.465 34.391 27.921 1.00 0.00 ATOM 602 O ASP 73 45.811 31.859 22.749 1.00 0.00 ATOM 603 C ASP 73 44.935 32.297 23.496 1.00 0.00 ATOM 604 N PHE 74 43.718 31.768 23.567 1.00 0.00 ATOM 605 CA PHE 74 43.351 30.631 22.755 1.00 0.00 ATOM 606 CB PHE 74 41.820 30.486 22.696 1.00 0.00 ATOM 607 CG PHE 74 41.342 29.304 21.984 1.00 0.00 ATOM 608 CD1 PHE 74 41.138 28.104 22.642 1.00 0.00 ATOM 609 CD2 PHE 74 41.055 29.363 20.612 1.00 0.00 ATOM 610 CE1 PHE 74 40.692 26.993 21.956 1.00 0.00 ATOM 611 CE2 PHE 74 40.630 28.263 19.976 1.00 0.00 ATOM 612 CZ PHE 74 40.436 27.094 20.626 1.00 0.00 ATOM 613 O PHE 74 44.566 29.731 20.894 1.00 0.00 ATOM 614 C PHE 74 43.878 30.657 21.326 1.00 0.00 ATOM 615 N LYS 75 43.556 31.717 20.593 1.00 0.00 ATOM 616 CA LYS 75 44.009 31.848 19.213 1.00 0.00 ATOM 617 CB LYS 75 42.981 32.733 18.507 1.00 0.00 ATOM 618 CG LYS 75 41.592 32.118 18.397 1.00 0.00 ATOM 619 CD LYS 75 40.644 33.027 17.630 1.00 0.00 ATOM 620 CE LYS 75 39.246 32.432 17.552 1.00 0.00 ATOM 621 NZ LYS 75 38.290 33.340 16.864 1.00 0.00 ATOM 622 O LYS 75 46.229 32.034 18.325 1.00 0.00 ATOM 623 C LYS 75 45.419 32.425 19.165 1.00 0.00 ATOM 624 N GLY 76 45.711 33.356 20.068 1.00 0.00 ATOM 625 CA GLY 76 47.025 33.973 20.115 1.00 0.00 ATOM 626 O GLY 76 48.684 33.785 21.839 1.00 0.00 ATOM 627 C GLY 76 48.082 33.225 20.921 1.00 0.00 ATOM 628 N GLY 77 48.308 31.961 20.577 1.00 0.00 ATOM 629 CA GLY 77 49.292 31.161 21.274 1.00 0.00 ATOM 630 O GLY 77 49.763 29.532 22.921 1.00 0.00 ATOM 631 C GLY 77 48.913 30.194 22.324 1.00 0.00 ATOM 632 N ILE 78 47.612 30.090 22.574 1.00 0.00 ATOM 633 CA ILE 78 47.108 29.168 23.586 1.00 0.00 ATOM 634 CB ILE 78 45.939 29.173 24.215 1.00 0.00 ATOM 635 CG1 ILE 78 46.322 29.543 25.635 1.00 0.00 ATOM 636 CG2 ILE 78 45.230 27.813 24.243 1.00 0.00 ATOM 637 CD1 ILE 78 45.139 29.864 26.485 1.00 0.00 ATOM 638 O ILE 78 47.610 27.590 21.854 1.00 0.00 ATOM 639 C ILE 78 47.586 27.823 23.064 1.00 0.00 ATOM 640 N ASP 79 47.966 26.934 23.976 1.00 0.00 ATOM 641 CA ASP 79 48.441 25.610 23.590 1.00 0.00 ATOM 642 CB ASP 79 49.394 25.120 24.727 1.00 0.00 ATOM 643 CG ASP 79 48.674 25.043 26.064 1.00 0.00 ATOM 644 OD1 ASP 79 47.451 24.787 26.084 1.00 0.00 ATOM 645 OD2 ASP 79 49.341 25.231 27.105 1.00 0.00 ATOM 646 O ASP 79 46.245 24.883 23.173 1.00 0.00 ATOM 647 C ASP 79 47.412 24.571 23.402 1.00 0.00 ATOM 648 N TRP 80 47.781 23.370 23.601 1.00 0.00 ATOM 649 CA TRP 80 46.850 22.234 23.447 1.00 0.00 ATOM 650 CB TRP 80 47.099 20.940 22.670 1.00 0.00 ATOM 651 CG TRP 80 47.755 19.868 23.487 1.00 0.00 ATOM 652 CD1 TRP 80 49.094 19.656 23.630 1.00 0.00 ATOM 653 CD2 TRP 80 47.102 18.865 24.275 1.00 0.00 ATOM 654 CE2 TRP 80 48.108 18.080 24.866 1.00 0.00 ATOM 655 CE3 TRP 80 45.763 18.554 24.537 1.00 0.00 ATOM 656 NE1 TRP 80 49.317 18.582 24.457 1.00 0.00 ATOM 657 CZ2 TRP 80 47.823 17.008 25.698 1.00 0.00 ATOM 658 CZ3 TRP 80 45.476 17.482 25.373 1.00 0.00 ATOM 659 CH2 TRP 80 46.476 16.730 25.936 1.00 0.00 ATOM 660 O TRP 80 44.808 22.118 24.763 1.00 0.00 ATOM 661 C TRP 80 46.069 22.008 24.743 1.00 0.00 ATOM 662 N GLU 81 46.747 21.671 25.792 1.00 0.00 ATOM 663 CA GLU 81 46.089 21.241 27.036 1.00 0.00 ATOM 664 CB GLU 81 47.109 20.640 28.008 1.00 0.00 ATOM 665 CG GLU 81 46.506 20.106 29.300 1.00 0.00 ATOM 666 CD GLU 81 47.556 19.481 30.174 1.00 0.00 ATOM 667 OE1 GLU 81 48.698 19.471 29.783 1.00 0.00 ATOM 668 OE2 GLU 81 47.238 19.116 31.281 1.00 0.00 ATOM 669 O GLU 81 44.217 22.337 28.056 1.00 0.00 ATOM 670 C GLU 81 45.380 22.434 27.662 1.00 0.00 ATOM 671 N ASN 82 46.081 23.559 27.751 1.00 0.00 ATOM 672 CA ASN 82 45.501 24.766 28.329 1.00 0.00 ATOM 673 CB ASN 82 46.579 25.811 28.557 1.00 0.00 ATOM 674 CG ASN 82 47.469 25.519 29.733 1.00 0.00 ATOM 675 ND2 ASN 82 48.588 26.195 29.775 1.00 0.00 ATOM 676 OD1 ASN 82 47.114 24.745 30.627 1.00 0.00 ATOM 677 O ASN 82 43.452 25.965 27.987 1.00 0.00 ATOM 678 C ASN 82 44.380 25.340 27.472 1.00 0.00 ATOM 679 N LYS 83 44.466 25.128 26.161 1.00 0.00 ATOM 680 CA LYS 83 43.449 25.630 25.249 1.00 0.00 ATOM 681 CB LYS 83 43.826 24.748 23.882 1.00 0.00 ATOM 682 CG LYS 83 43.514 25.227 22.470 1.00 0.00 ATOM 683 CD LYS 83 43.733 24.059 21.523 1.00 0.00 ATOM 684 CE LYS 83 43.138 24.251 20.161 1.00 0.00 ATOM 685 NZ LYS 83 44.097 24.603 19.107 1.00 0.00 ATOM 686 O LYS 83 41.070 25.540 25.537 1.00 0.00 ATOM 687 C LYS 83 42.125 24.908 25.474 1.00 0.00 ATOM 688 N ARG 84 42.182 23.585 25.592 1.00 0.00 ATOM 689 CA ARG 84 40.995 22.814 25.809 1.00 0.00 ATOM 690 CB ARG 84 41.344 21.281 25.592 1.00 0.00 ATOM 691 CG ARG 84 40.158 20.364 25.581 1.00 0.00 ATOM 692 CD ARG 84 40.557 18.941 26.041 1.00 0.00 ATOM 693 NE ARG 84 40.973 18.958 27.446 1.00 0.00 ATOM 694 CZ ARG 84 40.143 19.136 28.470 1.00 0.00 ATOM 695 NH1 ARG 84 38.840 19.257 28.275 1.00 0.00 ATOM 696 NH2 ARG 84 40.618 19.168 29.707 1.00 0.00 ATOM 697 O ARG 84 39.162 23.095 27.328 1.00 0.00 ATOM 698 C ARG 84 40.384 23.118 27.169 1.00 0.00 ATOM 699 N VAL 85 41.233 23.403 28.151 1.00 0.00 ATOM 700 CA VAL 85 40.759 23.709 29.495 1.00 0.00 ATOM 701 CB VAL 85 41.898 23.682 30.533 1.00 0.00 ATOM 702 CG1 VAL 85 41.419 24.240 31.864 1.00 0.00 ATOM 703 CG2 VAL 85 42.423 22.266 30.708 1.00 0.00 ATOM 704 O VAL 85 38.973 25.240 29.952 1.00 0.00 ATOM 705 C VAL 85 40.106 25.083 29.497 1.00 0.00 ATOM 706 N LYS 86 40.822 26.080 28.987 1.00 0.00 ATOM 707 CA LYS 86 40.296 27.439 28.935 1.00 0.00 ATOM 708 CB LYS 86 41.434 28.407 28.601 1.00 0.00 ATOM 709 CG LYS 86 42.535 28.470 29.652 1.00 0.00 ATOM 710 CD LYS 86 43.640 29.431 29.240 1.00 0.00 ATOM 711 CE LYS 86 44.735 29.500 30.293 1.00 0.00 ATOM 712 NZ LYS 86 45.830 30.428 29.896 1.00 0.00 ATOM 713 O LYS 86 38.139 28.267 28.321 1.00 0.00 ATOM 714 C LYS 86 39.059 27.539 28.029 1.00 0.00 ATOM 715 N LEU 87 39.034 26.802 26.936 1.00 0.00 ATOM 716 CA LEU 87 37.825 26.784 26.105 1.00 0.00 ATOM 717 CB LEU 87 38.108 25.974 24.833 1.00 0.00 ATOM 718 CG LEU 87 36.936 25.877 23.848 1.00 0.00 ATOM 719 CD1 LEU 87 36.554 27.266 23.353 1.00 0.00 ATOM 720 CD2 LEU 87 37.325 24.979 22.684 1.00 0.00 ATOM 721 O LEU 87 35.576 26.691 26.935 1.00 0.00 ATOM 722 C LEU 87 36.699 26.187 26.944 1.00 0.00 ATOM 723 N LYS 88 37.004 25.116 27.670 1.00 0.00 ATOM 724 CA LYS 88 36.007 24.466 28.511 1.00 0.00 ATOM 725 CB LYS 88 36.620 23.242 29.192 1.00 0.00 ATOM 726 CG LYS 88 35.666 22.497 30.117 1.00 0.00 ATOM 727 CD LYS 88 36.309 21.233 30.671 1.00 0.00 ATOM 728 CE LYS 88 35.363 20.493 31.606 1.00 0.00 ATOM 729 NZ LYS 88 35.976 19.250 32.149 1.00 0.00 ATOM 730 O LYS 88 34.284 25.538 29.791 1.00 0.00 ATOM 731 C LYS 88 35.484 25.484 29.518 1.00 0.00 ATOM 732 N LEU 89 36.385 26.292 30.070 1.00 0.00 ATOM 733 CA LEU 89 35.997 27.303 31.042 1.00 0.00 ATOM 734 CB LEU 89 37.264 27.963 31.601 1.00 0.00 ATOM 735 CG LEU 89 38.093 27.088 32.547 1.00 0.00 ATOM 736 CD1 LEU 89 39.389 27.797 32.914 1.00 0.00 ATOM 737 CD2 LEU 89 37.278 26.775 33.795 1.00 0.00 ATOM 738 O LEU 89 34.170 28.855 31.081 1.00 0.00 ATOM 739 C LEU 89 35.085 28.353 30.426 1.00 0.00 ATOM 740 N ASN 90 35.331 28.687 29.162 1.00 0.00 ATOM 741 CA ASN 90 34.519 29.680 28.470 1.00 0.00 ATOM 742 CB ASN 90 35.103 30.075 27.126 1.00 0.00 ATOM 743 CG ASN 90 36.301 30.980 27.231 1.00 0.00 ATOM 744 ND2 ASN 90 37.033 31.073 26.150 1.00 0.00 ATOM 745 OD1 ASN 90 36.517 31.642 28.252 1.00 0.00 ATOM 746 O ASN 90 32.163 29.836 28.496 1.00 0.00 ATOM 747 C ASN 90 33.159 29.140 28.295 1.00 0.00 ATOM 748 N ASP 91 33.085 27.870 27.912 1.00 0.00 ATOM 749 CA ASP 91 31.799 27.215 27.707 1.00 0.00 ATOM 750 CB ASP 91 32.022 25.865 27.021 1.00 0.00 ATOM 751 CG ASP 91 30.741 25.141 26.627 1.00 0.00 ATOM 752 OD1 ASP 91 29.993 25.679 25.846 1.00 0.00 ATOM 753 OD2 ASP 91 30.598 23.995 26.983 1.00 0.00 ATOM 754 O ASP 91 29.844 27.132 29.096 1.00 0.00 ATOM 755 C ASP 91 31.068 27.017 29.029 1.00 0.00 ATOM 756 N LEU 92 31.829 26.719 30.079 1.00 0.00 ATOM 757 CA LEU 92 31.246 26.468 31.390 1.00 0.00 ATOM 758 CB LEU 92 32.310 25.975 32.385 1.00 0.00 ATOM 759 CG LEU 92 32.935 24.623 32.027 1.00 0.00 ATOM 760 CD1 LEU 92 34.025 24.328 33.045 1.00 0.00 ATOM 761 CD2 LEU 92 31.919 23.499 32.047 1.00 0.00 ATOM 762 O LEU 92 29.365 27.622 32.328 1.00 0.00 ATOM 763 C LEU 92 30.500 27.715 31.859 1.00 0.00 ATOM 764 N LEU 93 31.113 28.905 31.738 1.00 0.00 ATOM 765 CA LEU 93 30.421 30.131 32.136 1.00 0.00 ATOM 766 CB LEU 93 31.338 31.343 32.033 1.00 0.00 ATOM 767 CG LEU 93 32.550 31.270 32.972 1.00 0.00 ATOM 768 CD1 LEU 93 33.533 32.404 32.652 1.00 0.00 ATOM 769 CD2 LEU 93 32.129 31.299 34.425 1.00 0.00 ATOM 770 O LEU 93 28.076 30.587 31.803 1.00 0.00 ATOM 771 C LEU 93 29.161 30.318 31.294 1.00 0.00 ATOM 772 N ALA 94 29.305 30.167 29.981 1.00 0.00 ATOM 773 CA ALA 94 28.222 30.365 29.047 1.00 0.00 ATOM 774 CB ALA 94 28.594 30.533 27.644 1.00 0.00 ATOM 775 O ALA 94 25.965 29.593 29.191 1.00 0.00 ATOM 776 C ALA 94 27.167 29.333 29.242 1.00 0.00 ATOM 777 N LEU 95 27.591 28.187 29.486 1.00 0.00 ATOM 778 CA LEU 95 26.604 27.117 29.590 1.00 0.00 ATOM 779 CB LEU 95 27.361 25.728 29.699 1.00 0.00 ATOM 780 CG LEU 95 26.512 24.458 29.815 1.00 0.00 ATOM 781 CD1 LEU 95 27.185 23.358 29.064 1.00 0.00 ATOM 782 CD2 LEU 95 26.377 24.044 31.268 1.00 0.00 ATOM 783 O LEU 95 24.521 26.963 30.772 1.00 0.00 ATOM 784 C LEU 95 25.713 27.247 30.836 1.00 0.00 ATOM 785 N GLU 96 26.277 27.638 31.959 1.00 0.00 ATOM 786 CA GLU 96 25.500 27.789 33.190 1.00 0.00 ATOM 787 CB GLU 96 26.318 28.273 34.326 1.00 0.00 ATOM 788 CG GLU 96 27.150 27.168 34.937 1.00 0.00 ATOM 789 CD GLU 96 28.254 27.685 35.836 1.00 0.00 ATOM 790 OE1 GLU 96 28.914 26.844 36.481 1.00 0.00 ATOM 791 OE2 GLU 96 28.467 28.921 35.892 1.00 0.00 ATOM 792 O GLU 96 23.243 28.586 33.349 1.00 0.00 ATOM 793 C GLU 96 24.386 28.800 32.943 1.00 0.00 ATOM 794 N THR 97 24.719 29.901 32.277 1.00 0.00 ATOM 795 CA THR 97 23.736 30.930 31.985 1.00 0.00 ATOM 796 CB THR 97 24.405 32.236 31.498 1.00 0.00 ATOM 797 CG2 THR 97 23.365 33.300 31.182 1.00 0.00 ATOM 798 OG1 THR 97 25.276 32.729 32.526 1.00 0.00 ATOM 799 O THR 97 21.497 30.641 31.173 1.00 0.00 ATOM 800 C THR 97 22.697 30.444 30.980 1.00 0.00 ATOM 801 N MET 98 23.159 29.808 29.908 1.00 0.00 ATOM 802 CA MET 98 22.248 29.289 28.867 1.00 0.00 ATOM 803 CB MET 98 23.094 28.588 27.763 1.00 0.00 ATOM 804 CG MET 98 24.080 29.477 27.033 1.00 0.00 ATOM 805 SD MET 98 25.310 28.499 26.133 1.00 0.00 ATOM 806 CE MET 98 24.370 27.963 24.733 1.00 0.00 ATOM 807 O MET 98 20.073 28.264 29.067 1.00 0.00 ATOM 808 C MET 98 21.241 28.279 29.458 1.00 0.00 ATOM 809 N LEU 99 21.700 27.450 30.389 1.00 0.00 ATOM 810 CA LEU 99 20.831 26.459 31.014 1.00 0.00 ATOM 811 CB LEU 99 21.477 25.641 32.128 1.00 0.00 ATOM 812 CG LEU 99 20.546 24.604 32.785 1.00 0.00 ATOM 813 CD1 LEU 99 20.268 23.434 31.828 1.00 0.00 ATOM 814 CD2 LEU 99 21.142 24.122 34.097 1.00 0.00 ATOM 815 O LEU 99 18.492 26.602 31.531 1.00 0.00 ATOM 816 C LEU 99 19.612 27.097 31.671 1.00 0.00 ATOM 817 N GLU 100 19.830 28.196 32.387 1.00 0.00 ATOM 818 CA GLU 100 18.756 28.867 33.036 1.00 0.00 ATOM 819 CB GLU 100 19.255 30.053 33.862 1.00 0.00 ATOM 820 CG GLU 100 20.049 29.659 35.097 1.00 0.00 ATOM 821 CD GLU 100 20.631 30.857 35.823 1.00 0.00 ATOM 822 OE1 GLU 100 20.477 31.989 35.320 1.00 0.00 ATOM 823 OE2 GLU 100 21.241 30.664 36.895 1.00 0.00 ATOM 824 O GLU 100 16.560 29.197 32.198 1.00 0.00 ATOM 825 C GLU 100 17.772 29.332 32.020 1.00 0.00 ATOM 826 N GLU 101 18.281 29.892 30.927 1.00 0.00 ATOM 827 CA GLU 101 17.419 30.385 29.859 1.00 0.00 ATOM 828 CB GLU 101 18.248 31.218 28.838 1.00 0.00 ATOM 829 CG GLU 101 17.483 31.567 27.566 1.00 0.00 ATOM 830 CD GLU 101 16.279 32.454 27.788 1.00 0.00 ATOM 831 OE1 GLU 101 16.222 33.150 28.822 1.00 0.00 ATOM 832 OE2 GLU 101 15.396 32.495 26.893 1.00 0.00 ATOM 833 O GLU 101 15.454 29.377 28.920 1.00 0.00 ATOM 834 C GLU 101 16.641 29.239 29.221 1.00 0.00 ATOM 835 N TRP 102 17.310 28.109 29.016 1.00 0.00 ATOM 836 CA TRP 102 16.672 26.980 28.429 1.00 0.00 ATOM 837 CB TRP 102 17.648 25.817 28.037 1.00 0.00 ATOM 838 CG TRP 102 18.851 26.171 27.200 1.00 0.00 ATOM 839 CD1 TRP 102 20.120 25.773 27.442 1.00 0.00 ATOM 840 CD2 TRP 102 18.912 27.009 26.011 1.00 0.00 ATOM 841 CE2 TRP 102 20.269 27.052 25.608 1.00 0.00 ATOM 842 CE3 TRP 102 17.959 27.689 25.232 1.00 0.00 ATOM 843 NE1 TRP 102 20.980 26.279 26.496 1.00 0.00 ATOM 844 CZ2 TRP 102 20.701 27.754 24.482 1.00 0.00 ATOM 845 CZ3 TRP 102 18.394 28.434 24.124 1.00 0.00 ATOM 846 CH2 TRP 102 19.759 28.444 23.747 1.00 0.00 ATOM 847 O TRP 102 14.491 26.080 28.779 1.00 0.00 ATOM 848 C TRP 102 15.551 26.450 29.285 1.00 0.00 ATOM 849 N ASP 103 15.778 26.410 30.594 1.00 0.00 ATOM 850 CA ASP 103 14.766 25.918 31.522 1.00 0.00 ATOM 851 CB ASP 103 15.276 25.792 32.959 1.00 0.00 ATOM 852 CG ASP 103 14.258 25.161 33.886 1.00 0.00 ATOM 853 OD1 ASP 103 13.883 23.993 33.651 1.00 0.00 ATOM 854 OD2 ASP 103 13.831 25.834 34.848 1.00 0.00 ATOM 855 O ASP 103 12.424 26.341 31.581 1.00 0.00 ATOM 856 C ASP 103 13.561 26.811 31.520 1.00 0.00 ATOM 857 N ARG 104 13.797 28.117 31.447 1.00 0.00 ATOM 858 CA ARG 104 12.705 29.083 31.434 1.00 0.00 ATOM 859 CB ARG 104 13.231 30.497 31.605 1.00 0.00 ATOM 860 CG ARG 104 12.215 31.607 31.394 1.00 0.00 ATOM 861 CD ARG 104 11.540 31.971 32.614 1.00 0.00 ATOM 862 NE ARG 104 10.183 32.405 32.337 1.00 0.00 ATOM 863 CZ ARG 104 9.412 32.954 33.232 1.00 0.00 ATOM 864 NH1 ARG 104 9.854 33.245 34.450 1.00 0.00 ATOM 865 NH2 ARG 104 8.200 33.254 32.884 1.00 0.00 ATOM 866 O ARG 104 10.650 28.959 30.230 1.00 0.00 ATOM 867 C ARG 104 11.880 28.946 30.182 1.00 0.00 ATOM 868 N ARG 105 12.556 28.813 29.044 1.00 0.00 ATOM 869 CA ARG 105 11.865 28.669 27.769 1.00 0.00 ATOM 870 CB ARG 105 12.787 28.694 26.580 1.00 0.00 ATOM 871 CG ARG 105 13.514 29.986 26.362 1.00 0.00 ATOM 872 CD ARG 105 14.209 29.985 25.023 1.00 0.00 ATOM 873 NE ARG 105 13.243 30.216 23.937 1.00 0.00 ATOM 874 CZ ARG 105 13.490 30.064 22.641 1.00 0.00 ATOM 875 NH1 ARG 105 14.622 29.605 22.199 1.00 0.00 ATOM 876 NH2 ARG 105 12.515 30.349 21.769 1.00 0.00 ATOM 877 O ARG 105 9.958 27.303 27.243 1.00 0.00 ATOM 878 C ARG 105 11.097 27.351 27.730 1.00 0.00 ATOM 879 N VAL 106 11.652 26.293 28.254 1.00 0.00 ATOM 880 CA VAL 106 10.995 25.001 28.245 1.00 0.00 ATOM 881 CB VAL 106 11.990 23.895 28.712 1.00 0.00 ATOM 882 CG1 VAL 106 11.241 22.605 29.065 1.00 0.00 ATOM 883 CG2 VAL 106 12.993 23.642 27.620 1.00 0.00 ATOM 884 O VAL 106 8.679 24.596 28.724 1.00 0.00 ATOM 885 C VAL 106 9.745 25.071 29.117 1.00 0.00 ATOM 886 N LYS 107 9.878 25.665 30.298 1.00 0.00 ATOM 887 CA LYS 107 8.753 25.789 31.206 1.00 0.00 ATOM 888 CB LYS 107 9.222 26.365 32.567 1.00 0.00 ATOM 889 CG LYS 107 8.081 26.615 33.535 1.00 0.00 ATOM 890 CD LYS 107 7.055 25.553 33.785 1.00 0.00 ATOM 891 CE LYS 107 7.591 24.471 34.442 1.00 0.00 ATOM 892 NZ LYS 107 6.439 23.475 35.209 1.00 0.00 ATOM 893 O LYS 107 6.484 26.334 30.659 1.00 0.00 ATOM 894 C LYS 107 7.667 26.669 30.601 1.00 0.00 ATOM 895 N ARG 108 8.071 27.793 30.019 1.00 0.00 ATOM 896 CA ARG 108 7.119 28.710 29.404 1.00 0.00 ATOM 897 CB ARG 108 7.238 30.018 30.188 1.00 0.00 ATOM 898 CG ARG 108 6.801 29.858 31.671 1.00 0.00 ATOM 899 CD ARG 108 5.379 29.369 31.831 1.00 0.00 ATOM 900 NE ARG 108 4.495 30.369 31.238 1.00 0.00 ATOM 901 CZ ARG 108 4.028 31.393 31.926 1.00 0.00 ATOM 902 NH1 ARG 108 4.264 31.455 33.245 1.00 0.00 ATOM 903 NH2 ARG 108 3.310 32.295 31.309 1.00 0.00 ATOM 904 O ARG 108 6.528 29.608 27.337 1.00 0.00 ATOM 905 C ARG 108 7.347 28.991 27.962 1.00 0.00 TER END