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 1 Fri Jul 25 17:24:01 2008 MODEL 1 PARENT N/A ATOM 1 N SER 1 19.596 34.024 13.520 1.00 0.00 ATOM 2 CA SER 1 19.556 33.450 12.187 1.00 0.00 ATOM 3 CB SER 1 20.225 34.403 11.178 1.00 0.00 ATOM 4 OG SER 1 21.613 34.411 11.391 1.00 0.00 ATOM 5 O SER 1 20.667 31.620 13.272 1.00 0.00 ATOM 6 C SER 1 20.225 32.079 12.218 1.00 0.00 ATOM 7 N ALA 2 20.298 31.428 11.061 1.00 0.00 ATOM 8 CA ALA 2 20.925 30.095 10.967 1.00 0.00 ATOM 9 CB ALA 2 20.913 29.603 9.530 1.00 0.00 ATOM 10 O ALA 2 22.846 29.158 12.073 1.00 0.00 ATOM 11 C ALA 2 22.388 30.105 11.432 1.00 0.00 ATOM 12 N LYS 3 23.109 31.174 11.109 1.00 0.00 ATOM 13 CA LYS 3 24.508 31.288 11.503 1.00 0.00 ATOM 14 CB LYS 3 25.015 32.534 10.761 1.00 0.00 ATOM 15 CG LYS 3 24.739 32.392 9.260 1.00 0.00 ATOM 16 CD LYS 3 24.947 33.707 8.518 1.00 0.00 ATOM 17 CE LYS 3 24.664 33.542 7.023 1.00 0.00 ATOM 18 NZ LYS 3 25.067 34.738 6.267 1.00 0.00 ATOM 19 O LYS 3 23.784 31.739 13.740 1.00 0.00 ATOM 20 C LYS 3 24.596 31.165 13.013 1.00 0.00 ATOM 21 N CYS 4 25.585 30.415 13.490 1.00 0.00 ATOM 22 CA CYS 4 25.769 30.229 14.925 1.00 0.00 ATOM 23 CB CYS 4 26.568 28.942 15.079 1.00 0.00 ATOM 24 SG CYS 4 26.641 28.386 16.827 1.00 0.00 ATOM 25 O CYS 4 27.610 31.750 14.948 1.00 0.00 ATOM 26 C CYS 4 26.601 31.369 15.534 1.00 0.00 ATOM 27 N PRO 5 26.210 31.856 16.709 1.00 0.00 ATOM 28 CA PRO 5 27.046 32.823 17.436 1.00 0.00 ATOM 29 CB PRO 5 26.162 33.288 18.580 1.00 0.00 ATOM 30 CG PRO 5 25.250 32.107 18.882 1.00 0.00 ATOM 31 CD PRO 5 24.980 31.556 17.483 1.00 0.00 ATOM 32 O PRO 5 29.148 32.949 18.578 1.00 0.00 ATOM 33 C PRO 5 28.295 32.223 18.073 1.00 0.00 ATOM 34 N ILE 6 28.403 30.888 18.082 1.00 0.00 ATOM 35 CA ILE 6 29.559 30.213 18.666 1.00 0.00 ATOM 36 CB ILE 6 29.034 28.984 19.445 1.00 0.00 ATOM 37 CG1 ILE 6 27.968 29.391 20.462 1.00 0.00 ATOM 38 CG2 ILE 6 30.108 28.091 20.101 1.00 0.00 ATOM 39 CD1 ILE 6 28.461 30.359 21.535 1.00 0.00 ATOM 40 O ILE 6 31.463 30.552 17.247 1.00 0.00 ATOM 41 C ILE 6 30.462 29.876 17.485 1.00 0.00 ATOM 42 N CYS 7 30.104 28.830 16.745 1.00 0.00 ATOM 43 CA CYS 7 30.902 28.407 15.568 1.00 0.00 ATOM 44 CB CYS 7 30.278 27.134 15.010 1.00 0.00 ATOM 45 SG CYS 7 29.408 26.159 16.248 1.00 0.00 ATOM 46 O CYS 7 29.669 29.946 14.252 1.00 0.00 ATOM 47 C CYS 7 30.733 29.320 14.368 1.00 0.00 ATOM 48 N GLY 8 31.435 28.925 13.320 1.00 0.00 ATOM 49 CA GLY 8 31.123 29.450 11.982 1.00 0.00 ATOM 50 O GLY 8 29.620 29.144 10.137 1.00 0.00 ATOM 51 C GLY 8 30.055 28.695 11.199 1.00 0.00 ATOM 52 N SER 9 29.634 27.548 11.722 1.00 0.00 ATOM 53 CA SER 9 28.610 26.742 11.059 1.00 0.00 ATOM 54 CB SER 9 28.726 25.355 11.635 1.00 0.00 ATOM 55 OG SER 9 28.313 25.264 13.001 1.00 0.00 ATOM 56 O SER 9 26.933 28.032 12.178 1.00 0.00 ATOM 57 C SER 9 27.196 27.315 11.195 1.00 0.00 ATOM 58 N PRO 10 26.327 27.074 10.225 1.00 0.00 ATOM 59 CA PRO 10 24.950 27.604 10.235 1.00 0.00 ATOM 60 CB PRO 10 24.552 27.640 8.760 1.00 0.00 ATOM 61 CG PRO 10 25.273 26.430 8.178 1.00 0.00 ATOM 62 CD PRO 10 26.605 26.410 8.931 1.00 0.00 ATOM 63 O PRO 10 23.099 26.135 10.649 1.00 0.00 ATOM 64 C PRO 10 24.052 26.752 11.126 1.00 0.00 ATOM 65 N LEU 11 24.356 26.721 12.419 1.00 0.00 ATOM 66 CA LEU 11 23.558 25.935 13.375 1.00 0.00 ATOM 67 CB LEU 11 24.408 24.843 14.005 1.00 0.00 ATOM 68 CG LEU 11 24.956 23.887 12.950 1.00 0.00 ATOM 69 CD1 LEU 11 25.678 22.805 13.679 1.00 0.00 ATOM 70 CD2 LEU 11 23.895 23.221 12.096 1.00 0.00 ATOM 71 O LEU 11 23.689 27.601 15.089 1.00 0.00 ATOM 72 C LEU 11 22.986 26.780 14.497 1.00 0.00 ATOM 73 N LYS 12 21.706 26.582 14.795 1.00 0.00 ATOM 74 CA LYS 12 21.051 27.336 15.856 1.00 0.00 ATOM 75 CB LYS 12 19.646 27.726 15.387 1.00 0.00 ATOM 76 CG LYS 12 18.954 28.723 16.301 1.00 0.00 ATOM 77 CD LYS 12 17.514 29.055 15.939 1.00 0.00 ATOM 78 CE LYS 12 16.914 30.089 16.898 1.00 0.00 ATOM 79 NZ LYS 12 15.516 30.391 16.594 1.00 0.00 ATOM 80 O LYS 12 20.764 25.240 16.999 1.00 0.00 ATOM 81 C LYS 12 20.980 26.447 17.102 1.00 0.00 ATOM 82 N TRP 13 21.163 27.049 18.274 1.00 0.00 ATOM 83 CA TRP 13 21.114 26.300 19.524 1.00 0.00 ATOM 84 CB TRP 13 21.434 27.221 20.718 1.00 0.00 ATOM 85 CG TRP 13 22.920 27.471 20.878 1.00 0.00 ATOM 86 CD1 TRP 13 23.579 28.655 20.690 1.00 0.00 ATOM 87 CD2 TRP 13 23.928 26.504 21.215 1.00 0.00 ATOM 88 CE2 TRP 13 25.168 27.174 21.207 1.00 0.00 ATOM 89 CE3 TRP 13 23.899 25.133 21.520 1.00 0.00 ATOM 90 NE1 TRP 13 24.925 28.485 20.883 1.00 0.00 ATOM 91 CZ2 TRP 13 26.376 26.525 21.491 1.00 0.00 ATOM 92 CZ3 TRP 13 25.098 24.486 21.802 1.00 0.00 ATOM 93 CH2 TRP 13 26.321 25.183 21.785 1.00 0.00 ATOM 94 O TRP 13 19.646 24.561 20.270 1.00 0.00 ATOM 95 C TRP 13 19.730 25.678 19.773 1.00 0.00 ATOM 96 N GLU 14 18.661 26.389 19.374 1.00 0.00 ATOM 97 CA GLU 14 17.293 25.855 19.355 1.00 0.00 ATOM 98 CB GLU 14 16.313 26.892 18.801 1.00 0.00 ATOM 99 CG GLU 14 14.860 26.411 18.853 1.00 0.00 ATOM 100 CD GLU 14 13.884 27.438 18.278 1.00 0.00 ATOM 101 OE1 GLU 14 14.252 28.077 17.292 1.00 0.00 ATOM 102 OE2 GLU 14 12.838 27.692 18.880 1.00 0.00 ATOM 103 O GLU 14 16.648 23.598 18.909 1.00 0.00 ATOM 104 C GLU 14 17.270 24.578 18.520 1.00 0.00 ATOM 105 N GLU 15 17.916 24.650 17.348 1.00 0.00 ATOM 106 CA GLU 15 17.969 23.503 16.464 1.00 0.00 ATOM 107 CB GLU 15 18.629 23.942 15.183 1.00 0.00 ATOM 108 CG GLU 15 17.783 24.854 14.321 1.00 0.00 ATOM 109 CD GLU 15 18.663 25.397 13.199 1.00 0.00 ATOM 110 OE1 GLU 15 19.906 25.233 13.223 1.00 0.00 ATOM 111 OE2 GLU 15 18.041 26.097 12.383 1.00 0.00 ATOM 112 O GLU 15 18.297 21.191 17.018 1.00 0.00 ATOM 113 C GLU 15 18.710 22.346 17.127 1.00 0.00 ATOM 114 N LEU 16 19.804 22.657 17.815 1.00 0.00 ATOM 115 CA LEU 16 20.596 21.625 18.499 1.00 0.00 ATOM 116 CB LEU 16 21.893 22.227 19.030 1.00 0.00 ATOM 117 CG LEU 16 22.879 22.639 17.929 1.00 0.00 ATOM 118 CD1 LEU 16 24.020 23.452 18.543 1.00 0.00 ATOM 119 CD2 LEU 16 23.426 21.435 17.159 1.00 0.00 ATOM 120 O LEU 16 19.725 19.766 19.738 1.00 0.00 ATOM 121 C LEU 16 19.758 20.989 19.603 1.00 0.00 ATOM 122 N ILE 17 19.083 21.820 20.390 1.00 0.00 ATOM 123 CA ILE 17 18.231 21.320 21.498 1.00 0.00 ATOM 124 CB ILE 17 17.719 22.436 22.366 1.00 0.00 ATOM 125 CG1 ILE 17 18.884 23.106 23.075 1.00 0.00 ATOM 126 CG2 ILE 17 16.614 22.000 23.353 1.00 0.00 ATOM 127 CD1 ILE 17 18.471 24.466 23.643 1.00 0.00 ATOM 128 O ILE 17 16.810 19.387 21.430 1.00 0.00 ATOM 129 C ILE 17 17.092 20.478 20.931 1.00 0.00 ATOM 130 N GLU 18 16.441 20.984 19.889 1.00 0.00 ATOM 131 CA GLU 18 15.320 20.257 19.250 1.00 0.00 ATOM 132 CB GLU 18 14.684 21.067 18.117 1.00 0.00 ATOM 133 CG GLU 18 13.890 22.272 18.623 1.00 0.00 ATOM 134 CD GLU 18 12.758 21.916 19.579 1.00 0.00 ATOM 135 OE1 GLU 18 12.806 22.462 20.692 1.00 0.00 ATOM 136 OE2 GLU 18 11.920 21.068 19.204 1.00 0.00 ATOM 137 O GLU 18 15.101 17.895 18.785 1.00 0.00 ATOM 138 C GLU 18 15.778 18.912 18.631 1.00 0.00 ATOM 139 N GLU 19 16.915 18.924 17.943 1.00 0.00 ATOM 140 CA GLU 19 17.437 17.712 17.323 1.00 0.00 ATOM 141 CB GLU 19 18.686 17.923 16.514 1.00 0.00 ATOM 142 CG GLU 19 18.405 18.783 15.236 1.00 0.00 ATOM 143 CD GLU 19 17.298 18.166 14.361 1.00 0.00 ATOM 144 OE1 GLU 19 17.359 16.955 13.985 1.00 0.00 ATOM 145 OE2 GLU 19 16.312 18.882 14.047 1.00 0.00 ATOM 146 O GLU 19 17.448 15.475 18.198 1.00 0.00 ATOM 147 C GLU 19 17.764 16.647 18.368 1.00 0.00 ATOM 148 N MET 20 18.318 17.115 19.488 1.00 0.00 ATOM 149 CA MET 20 18.659 16.212 20.599 1.00 0.00 ATOM 150 CB MET 20 19.526 16.935 21.629 1.00 0.00 ATOM 151 CG MET 20 20.932 17.189 21.105 1.00 0.00 ATOM 152 SD MET 20 21.945 18.081 22.328 1.00 0.00 ATOM 153 CE MET 20 22.221 16.762 23.480 1.00 0.00 ATOM 154 O MET 20 17.304 14.448 21.498 1.00 0.00 ATOM 155 C MET 20 17.391 15.647 21.229 1.00 0.00 ATOM 156 N LEU 21 16.407 16.510 21.461 1.00 0.00 ATOM 157 CA LEU 21 15.141 16.080 22.060 1.00 0.00 ATOM 158 CB LEU 21 14.397 17.372 22.395 1.00 0.00 ATOM 159 CG LEU 21 13.178 17.202 23.308 1.00 0.00 ATOM 160 CD1 LEU 21 13.508 16.478 24.624 1.00 0.00 ATOM 161 CD2 LEU 21 12.634 18.594 23.620 1.00 0.00 ATOM 162 O LEU 21 13.691 14.197 21.579 1.00 0.00 ATOM 163 C LEU 21 14.398 15.091 21.112 1.00 0.00 ATOM 164 N ILE 22 14.569 15.265 19.805 1.00 0.00 ATOM 165 CA ILE 22 13.920 14.392 18.835 1.00 0.00 ATOM 166 CB ILE 22 13.995 15.015 17.429 1.00 0.00 ATOM 167 CG1 ILE 22 13.060 16.236 17.396 1.00 0.00 ATOM 168 CG2 ILE 22 13.573 14.004 16.362 1.00 0.00 ATOM 169 CD1 ILE 22 13.281 17.125 16.184 1.00 0.00 ATOM 170 O ILE 22 13.915 11.993 18.816 1.00 0.00 ATOM 171 C ILE 22 14.590 13.023 18.784 1.00 0.00 ATOM 172 N ILE 23 15.916 13.014 18.704 1.00 0.00 ATOM 173 CA ILE 23 16.658 11.766 18.652 1.00 0.00 ATOM 174 CB ILE 23 18.108 12.000 18.164 1.00 0.00 ATOM 175 CG1 ILE 23 18.140 12.701 16.799 1.00 0.00 ATOM 176 CG2 ILE 23 18.930 10.698 18.129 1.00 0.00 ATOM 177 CD1 ILE 23 17.299 12.008 15.722 1.00 0.00 ATOM 178 O ILE 23 17.160 11.545 20.971 1.00 0.00 ATOM 179 C ILE 23 16.579 11.077 20.003 1.00 0.00 ATOM 180 N GLU 24 16.124 9.827 19.945 1.00 0.00 ATOM 181 CA GLU 24 15.927 9.042 21.176 1.00 0.00 ATOM 182 CB GLU 24 15.303 7.724 20.916 1.00 0.00 ATOM 183 CG GLU 24 13.882 7.865 20.397 1.00 0.00 ATOM 184 CD GLU 24 13.250 6.542 20.001 1.00 0.00 ATOM 185 OE1 GLU 24 12.088 6.564 19.546 1.00 0.00 ATOM 186 OE2 GLU 24 13.911 5.490 20.138 1.00 0.00 ATOM 187 O GLU 24 17.370 8.763 23.053 1.00 0.00 ATOM 188 C GLU 24 17.260 8.792 21.826 1.00 0.00 ATOM 189 N ASN 25 18.289 8.607 21.006 1.00 0.00 ATOM 190 CA ASN 25 19.631 8.359 21.520 1.00 0.00 ATOM 191 CB ASN 25 20.490 7.963 20.349 1.00 0.00 ATOM 192 CG ASN 25 20.379 6.528 19.853 1.00 0.00 ATOM 193 ND2 ASN 25 20.965 6.325 18.706 1.00 0.00 ATOM 194 OD1 ASN 25 19.678 5.641 20.321 1.00 0.00 ATOM 195 O ASN 25 20.974 9.441 23.227 1.00 0.00 ATOM 196 C ASN 25 20.228 9.572 22.252 1.00 0.00 ATOM 197 N PHE 26 19.774 10.742 21.841 1.00 0.00 ATOM 198 CA PHE 26 20.166 12.016 22.458 1.00 0.00 ATOM 199 CB PHE 26 20.213 13.135 21.420 1.00 0.00 ATOM 200 CG PHE 26 21.203 12.871 20.289 1.00 0.00 ATOM 201 CD1 PHE 26 22.259 11.970 20.439 1.00 0.00 ATOM 202 CD2 PHE 26 21.073 13.571 19.099 1.00 0.00 ATOM 203 CE1 PHE 26 23.152 11.788 19.402 1.00 0.00 ATOM 204 CE2 PHE 26 21.970 13.358 18.055 1.00 0.00 ATOM 205 CZ PHE 26 23.015 12.456 18.200 1.00 0.00 ATOM 206 O PHE 26 19.666 13.240 24.438 1.00 0.00 ATOM 207 C PHE 26 19.261 12.457 23.591 1.00 0.00 ATOM 208 N GLU 27 18.078 11.833 23.670 1.00 0.00 ATOM 209 CA GLU 27 17.124 12.067 24.769 1.00 0.00 ATOM 210 CB GLU 27 15.806 11.357 24.455 1.00 0.00 ATOM 211 CG GLU 27 14.981 12.102 23.415 1.00 0.00 ATOM 212 CD GLU 27 13.778 11.291 22.909 1.00 0.00 ATOM 213 OE1 GLU 27 13.110 11.834 22.000 1.00 0.00 ATOM 214 OE2 GLU 27 13.478 10.205 23.449 1.00 0.00 ATOM 215 O GLU 27 17.563 12.217 27.124 1.00 0.00 ATOM 216 C GLU 27 17.694 11.562 26.096 1.00 0.00 ATOM 217 N GLU 28 18.482 10.486 26.025 1.00 0.00 ATOM 218 CA GLU 28 19.241 9.991 27.191 1.00 0.00 ATOM 219 CB GLU 28 19.699 8.535 26.816 1.00 0.00 ATOM 220 CG GLU 28 20.694 7.864 27.735 1.00 0.00 ATOM 221 CD GLU 28 20.111 7.566 29.104 1.00 0.00 ATOM 222 OE1 GLU 28 18.873 7.519 29.244 1.00 0.00 ATOM 223 OE2 GLU 28 20.912 7.373 30.048 1.00 0.00 ATOM 224 O GLU 28 20.514 11.145 28.866 1.00 0.00 ATOM 225 C GLU 28 20.266 11.030 27.675 1.00 0.00 ATOM 226 N ILE 29 20.873 11.750 26.722 1.00 0.00 ATOM 227 CA ILE 29 21.799 12.852 27.045 1.00 0.00 ATOM 228 CB ILE 29 22.606 13.283 25.809 1.00 0.00 ATOM 229 CG1 ILE 29 23.478 12.123 25.326 1.00 0.00 ATOM 230 CG2 ILE 29 23.476 14.522 26.101 1.00 0.00 ATOM 231 CD1 ILE 29 24.089 12.416 23.952 1.00 0.00 ATOM 232 O ILE 29 21.510 14.636 28.623 1.00 0.00 ATOM 233 C ILE 29 21.065 14.054 27.646 1.00 0.00 ATOM 234 N VAL 30 19.947 14.381 27.023 1.00 0.00 ATOM 235 CA VAL 30 19.193 15.580 27.389 1.00 0.00 ATOM 236 CB VAL 30 18.055 15.952 26.587 1.00 0.00 ATOM 237 CG1 VAL 30 18.530 16.319 25.170 1.00 0.00 ATOM 238 CG2 VAL 30 16.868 15.013 26.471 1.00 0.00 ATOM 239 O VAL 30 18.630 16.416 29.566 1.00 0.00 ATOM 240 C VAL 30 18.630 15.451 28.800 1.00 0.00 ATOM 241 N LYS 31 18.153 14.258 29.143 1.00 0.00 ATOM 242 CA LYS 31 17.587 14.015 30.478 1.00 0.00 ATOM 243 CB LYS 31 17.120 12.498 30.512 1.00 0.00 ATOM 244 CG LYS 31 16.217 12.131 31.690 1.00 0.00 ATOM 245 CD LYS 31 15.860 10.651 31.705 1.00 0.00 ATOM 246 CE LYS 31 15.425 10.199 33.110 1.00 0.00 ATOM 247 NZ LYS 31 15.127 8.729 33.184 1.00 0.00 ATOM 248 O LYS 31 18.189 14.954 32.622 1.00 0.00 ATOM 249 C LYS 31 18.590 14.419 31.588 1.00 0.00 ATOM 250 N ASP 32 19.874 14.159 31.362 1.00 0.00 ATOM 251 CA ASP 32 20.899 14.503 32.342 1.00 0.00 ATOM 252 CB ASP 32 21.951 13.397 32.291 1.00 0.00 ATOM 253 CG ASP 32 23.155 13.647 33.192 1.00 0.00 ATOM 254 OD1 ASP 32 23.463 14.814 33.524 1.00 0.00 ATOM 255 OD2 ASP 32 23.859 12.640 33.408 1.00 0.00 ATOM 256 O ASP 32 22.148 15.967 30.894 1.00 0.00 ATOM 257 C ASP 32 21.465 15.856 31.909 1.00 0.00 ATOM 258 N ARG 33 21.285 16.828 32.791 1.00 0.00 ATOM 259 CA ARG 33 21.686 18.218 32.512 1.00 0.00 ATOM 260 CB ARG 33 21.262 19.134 33.651 1.00 0.00 ATOM 261 CG ARG 33 21.457 20.590 33.250 1.00 0.00 ATOM 262 CD ARG 33 21.078 21.478 34.418 1.00 0.00 ATOM 263 NE ARG 33 21.493 22.852 34.126 1.00 0.00 ATOM 264 CZ ARG 33 21.365 23.860 34.986 1.00 0.00 ATOM 265 NH1 ARG 33 20.930 23.656 36.207 1.00 0.00 ATOM 266 NH2 ARG 33 21.584 25.108 34.604 1.00 0.00 ATOM 267 O ARG 33 23.657 18.990 31.384 1.00 0.00 ATOM 268 C ARG 33 23.193 18.316 32.304 1.00 0.00 ATOM 269 N GLU 34 23.956 17.643 33.160 1.00 0.00 ATOM 270 CA GLU 34 25.415 17.664 33.056 1.00 0.00 ATOM 271 CB GLU 34 26.023 16.946 34.243 1.00 0.00 ATOM 272 CG GLU 34 25.814 17.712 35.554 1.00 0.00 ATOM 273 CD GLU 34 26.471 16.996 36.750 1.00 0.00 ATOM 274 OE1 GLU 34 26.860 15.824 36.592 1.00 0.00 ATOM 275 OE2 GLU 34 26.626 17.667 37.787 1.00 0.00 ATOM 276 O GLU 34 26.768 17.489 31.083 1.00 0.00 ATOM 277 C GLU 34 25.883 16.975 31.780 1.00 0.00 ATOM 278 N ARG 35 25.277 15.820 31.445 1.00 0.00 ATOM 279 CA ARG 35 25.585 15.115 30.197 1.00 0.00 ATOM 280 CB ARG 35 24.946 13.720 30.207 1.00 0.00 ATOM 281 CG ARG 35 25.509 12.871 29.073 1.00 0.00 ATOM 282 CD ARG 35 24.833 11.501 28.996 1.00 0.00 ATOM 283 NE ARG 35 25.177 10.662 30.146 1.00 0.00 ATOM 284 CZ ARG 35 24.303 9.878 30.803 1.00 0.00 ATOM 285 NH1 ARG 35 23.021 9.807 30.474 1.00 0.00 ATOM 286 NH2 ARG 35 24.736 9.104 31.782 1.00 0.00 ATOM 287 O ARG 35 25.784 15.986 27.952 1.00 0.00 ATOM 288 C ARG 35 25.131 15.961 28.991 1.00 0.00 ATOM 289 N PHE 36 23.995 16.708 29.116 1.00 0.00 ATOM 290 CA PHE 36 23.569 17.616 28.055 1.00 0.00 ATOM 291 CB PHE 36 22.443 18.499 28.623 1.00 0.00 ATOM 292 CG PHE 36 21.736 19.391 27.607 1.00 0.00 ATOM 293 CD1 PHE 36 20.405 19.068 27.447 1.00 0.00 ATOM 294 CD2 PHE 36 22.280 20.440 26.852 1.00 0.00 ATOM 295 CE1 PHE 36 19.621 19.732 26.524 1.00 0.00 ATOM 296 CE2 PHE 36 21.485 21.102 25.918 1.00 0.00 ATOM 297 CZ PHE 36 20.156 20.747 25.758 1.00 0.00 ATOM 298 O PHE 36 25.008 18.944 26.667 1.00 0.00 ATOM 299 C PHE 36 24.624 18.690 27.810 1.00 0.00 ATOM 300 N LEU 37 25.093 19.319 28.884 1.00 0.00 ATOM 301 CA LEU 37 26.085 20.339 28.761 1.00 0.00 ATOM 302 CB LEU 37 26.317 20.962 30.137 1.00 0.00 ATOM 303 CG LEU 37 25.045 21.442 30.856 1.00 0.00 ATOM 304 CD1 LEU 37 25.488 22.205 32.099 1.00 0.00 ATOM 305 CD2 LEU 37 24.035 22.182 29.972 1.00 0.00 ATOM 306 O LEU 37 28.030 20.498 27.365 1.00 0.00 ATOM 307 C LEU 37 27.374 19.805 28.144 1.00 0.00 ATOM 308 N ALA 38 27.733 18.573 28.493 1.00 0.00 ATOM 309 CA ALA 38 28.943 17.964 27.962 1.00 0.00 ATOM 310 CB ALA 38 29.062 16.664 28.728 1.00 0.00 ATOM 311 O ALA 38 29.695 18.089 25.669 1.00 0.00 ATOM 312 C ALA 38 28.771 17.803 26.431 1.00 0.00 ATOM 313 N GLN 39 27.596 17.352 26.004 1.00 0.00 ATOM 314 CA GLN 39 27.329 17.168 24.583 1.00 0.00 ATOM 315 CB GLN 39 25.948 16.539 24.391 1.00 0.00 ATOM 316 CG GLN 39 25.681 16.197 22.924 1.00 0.00 ATOM 317 CD GLN 39 26.792 15.293 22.413 1.00 0.00 ATOM 318 OE1 GLN 39 27.101 14.243 22.950 1.00 0.00 ATOM 319 NE2 GLN 39 27.328 15.691 21.297 1.00 0.00 ATOM 320 O GLN 39 27.836 18.635 22.712 1.00 0.00 ATOM 321 C GLN 39 27.393 18.512 23.846 1.00 0.00 ATOM 322 N VAL 40 26.958 19.550 24.563 1.00 0.00 ATOM 323 CA VAL 40 27.076 20.933 24.096 1.00 0.00 ATOM 324 CB VAL 40 26.330 21.809 25.103 1.00 0.00 ATOM 325 CG1 VAL 40 26.610 23.269 24.868 1.00 0.00 ATOM 326 CG2 VAL 40 24.823 21.675 24.920 1.00 0.00 ATOM 327 O VAL 40 28.968 21.904 22.946 1.00 0.00 ATOM 328 C VAL 40 28.572 21.317 23.938 1.00 0.00 ATOM 329 N GLU 41 29.356 20.989 24.963 1.00 0.00 ATOM 330 CA GLU 41 30.809 21.227 24.963 1.00 0.00 ATOM 331 CB GLU 41 31.343 20.770 26.317 1.00 0.00 ATOM 332 CG GLU 41 32.869 20.840 26.400 1.00 0.00 ATOM 333 CD GLU 41 33.448 20.666 27.809 1.00 0.00 ATOM 334 OE1 GLU 41 32.617 20.464 28.720 1.00 0.00 ATOM 335 OE2 GLU 41 34.674 20.758 27.984 1.00 0.00 ATOM 336 O GLU 41 32.339 21.076 23.116 1.00 0.00 ATOM 337 C GLU 41 31.518 20.489 23.809 1.00 0.00 ATOM 338 N GLU 42 31.033 19.281 23.537 1.00 0.00 ATOM 339 CA GLU 42 31.491 18.490 22.370 1.00 0.00 ATOM 340 CB GLU 42 30.725 17.170 22.304 1.00 0.00 ATOM 341 CG GLU 42 31.234 16.282 21.174 1.00 0.00 ATOM 342 CD GLU 42 30.516 14.944 21.135 1.00 0.00 ATOM 343 OE1 GLU 42 30.722 14.147 22.064 1.00 0.00 ATOM 344 OE2 GLU 42 29.801 14.717 20.130 1.00 0.00 ATOM 345 O GLU 42 32.093 19.480 20.270 1.00 0.00 ATOM 346 C GLU 42 31.209 19.297 21.107 1.00 0.00 ATOM 347 N PHE 43 29.977 19.782 20.974 1.00 0.00 ATOM 348 CA PHE 43 29.601 20.569 19.809 1.00 0.00 ATOM 349 CB PHE 43 28.048 20.975 19.987 1.00 0.00 ATOM 350 CG PHE 43 27.693 22.011 18.967 1.00 0.00 ATOM 351 CD1 PHE 43 27.256 21.643 17.689 1.00 0.00 ATOM 352 CD2 PHE 43 27.779 23.377 19.248 1.00 0.00 ATOM 353 CE1 PHE 43 26.932 22.589 16.701 1.00 0.00 ATOM 354 CE2 PHE 43 27.454 24.322 18.272 1.00 0.00 ATOM 355 CZ PHE 43 27.034 23.951 16.990 1.00 0.00 ATOM 356 O PHE 43 30.853 22.198 18.571 1.00 0.00 ATOM 357 C PHE 43 30.501 21.792 19.679 1.00 0.00 ATOM 358 N VAL 44 30.874 22.379 20.812 1.00 0.00 ATOM 359 CA VAL 44 31.739 23.560 20.809 1.00 0.00 ATOM 360 CB VAL 44 31.839 24.194 22.215 1.00 0.00 ATOM 361 CG1 VAL 44 32.861 25.320 22.215 1.00 0.00 ATOM 362 CG2 VAL 44 30.475 24.731 22.636 1.00 0.00 ATOM 363 O VAL 44 33.758 24.042 19.600 1.00 0.00 ATOM 364 C VAL 44 33.165 23.262 20.348 1.00 0.00 ATOM 365 N PHE 45 33.713 22.135 20.792 1.00 0.00 ATOM 366 CA PHE 45 35.067 21.751 20.413 1.00 0.00 ATOM 367 CB PHE 45 35.511 20.655 21.384 1.00 0.00 ATOM 368 CG PHE 45 35.543 21.187 22.816 1.00 0.00 ATOM 369 CD1 PHE 45 35.475 22.531 23.153 1.00 0.00 ATOM 370 CD2 PHE 45 35.752 20.274 23.828 1.00 0.00 ATOM 371 CE1 PHE 45 35.650 22.940 24.462 1.00 0.00 ATOM 372 CE2 PHE 45 35.916 20.684 25.142 1.00 0.00 ATOM 373 CZ PHE 45 35.863 22.018 25.464 1.00 0.00 ATOM 374 O PHE 45 35.908 21.943 18.174 1.00 0.00 ATOM 375 C PHE 45 35.057 21.453 18.917 1.00 0.00 ATOM 376 N LYS 46 34.093 20.649 18.478 1.00 0.00 ATOM 377 CA LYS 46 33.993 20.306 17.086 1.00 0.00 ATOM 378 CB LYS 46 32.930 19.219 16.980 1.00 0.00 ATOM 379 CG LYS 46 33.348 18.005 17.787 1.00 0.00 ATOM 380 CD LYS 46 32.238 16.951 17.718 1.00 0.00 ATOM 381 CE LYS 46 32.617 15.739 18.565 1.00 0.00 ATOM 382 NZ LYS 46 31.662 14.643 18.355 1.00 0.00 ATOM 383 O LYS 46 33.789 21.208 14.861 1.00 0.00 ATOM 384 C LYS 46 33.728 21.432 16.072 1.00 0.00 ATOM 385 N CYS 47 33.437 22.629 16.569 1.00 0.00 ATOM 386 CA CYS 47 33.171 23.766 15.696 1.00 0.00 ATOM 387 CB CYS 47 31.934 24.455 16.407 1.00 0.00 ATOM 388 SG CYS 47 32.422 25.220 17.980 1.00 0.00 ATOM 389 O CYS 47 35.310 24.796 15.834 1.00 0.00 ATOM 390 C CYS 47 34.430 24.377 15.080 1.00 0.00 ATOM 391 N PRO 48 34.486 24.519 13.737 1.00 0.00 ATOM 392 CA PRO 48 35.694 24.994 13.066 1.00 0.00 ATOM 393 CB PRO 48 35.434 24.971 11.627 1.00 0.00 ATOM 394 CG PRO 48 33.948 24.946 11.481 1.00 0.00 ATOM 395 CD PRO 48 33.515 24.028 12.590 1.00 0.00 ATOM 396 O PRO 48 37.068 26.695 13.784 1.00 0.00 ATOM 397 C PRO 48 35.949 26.456 13.416 1.00 0.00 ATOM 398 N VAL 49 35.197 27.612 13.479 1.00 0.00 ATOM 399 CA VAL 49 35.481 29.065 13.589 1.00 0.00 ATOM 400 CB VAL 49 34.811 29.798 12.410 1.00 0.00 ATOM 401 CG1 VAL 49 35.453 31.162 12.199 1.00 0.00 ATOM 402 CG2 VAL 49 35.020 29.081 11.079 1.00 0.00 ATOM 403 O VAL 49 35.117 30.857 15.203 1.00 0.00 ATOM 404 C VAL 49 35.143 29.638 14.990 1.00 0.00 ATOM 405 N CYS 50 34.977 28.736 15.959 1.00 0.00 ATOM 406 CA CYS 50 34.577 29.099 17.327 1.00 0.00 ATOM 407 CB CYS 50 33.372 28.428 18.061 1.00 0.00 ATOM 408 SG CYS 50 31.777 28.685 17.249 1.00 0.00 ATOM 409 O CYS 50 35.718 29.289 19.383 1.00 0.00 ATOM 410 C CYS 50 35.608 28.632 18.347 1.00 0.00 ATOM 411 N GLY 51 36.634 27.575 18.287 1.00 0.00 ATOM 412 CA GLY 51 37.668 27.126 19.209 1.00 0.00 ATOM 413 O GLY 51 39.123 27.018 17.303 1.00 0.00 ATOM 414 C GLY 51 38.980 27.376 18.474 1.00 0.00 ATOM 415 N GLU 52 39.938 27.991 19.160 1.00 0.00 ATOM 416 CA GLU 52 41.239 28.281 18.556 1.00 0.00 ATOM 417 CB GLU 52 42.088 28.975 19.602 1.00 0.00 ATOM 418 CG GLU 52 43.410 29.525 19.056 1.00 0.00 ATOM 419 CD GLU 52 44.253 30.167 20.159 1.00 0.00 ATOM 420 OE1 GLU 52 43.755 30.224 21.304 1.00 0.00 ATOM 421 OE2 GLU 52 45.386 30.581 19.834 1.00 0.00 ATOM 422 O GLU 52 42.174 27.013 16.746 1.00 0.00 ATOM 423 C GLU 52 41.937 27.065 17.953 1.00 0.00 ATOM 424 N GLU 53 42.293 26.094 18.796 1.00 0.00 ATOM 425 CA GLU 53 42.983 24.886 18.325 1.00 0.00 ATOM 426 CB GLU 53 43.251 24.015 19.545 1.00 0.00 ATOM 427 CG GLU 53 44.225 24.632 20.560 1.00 0.00 ATOM 428 CD GLU 53 44.363 23.722 21.794 1.00 0.00 ATOM 429 OE1 GLU 53 43.568 22.761 21.872 1.00 0.00 ATOM 430 OE2 GLU 53 45.292 23.930 22.605 1.00 0.00 ATOM 431 O GLU 53 42.759 23.562 16.303 1.00 0.00 ATOM 432 C GLU 53 42.173 24.101 17.244 1.00 0.00 ATOM 433 N PHE 54 40.853 24.051 17.394 1.00 0.00 ATOM 434 CA PHE 54 40.009 23.346 16.436 1.00 0.00 ATOM 435 CB PHE 54 38.627 23.329 16.868 1.00 0.00 ATOM 436 CG PHE 54 38.540 22.913 18.313 1.00 0.00 ATOM 437 CD1 PHE 54 38.760 21.582 18.676 1.00 0.00 ATOM 438 CD2 PHE 54 38.273 23.848 19.313 1.00 0.00 ATOM 439 CE1 PHE 54 38.736 21.192 19.986 1.00 0.00 ATOM 440 CE2 PHE 54 38.246 23.452 20.650 1.00 0.00 ATOM 441 CZ PHE 54 38.479 22.127 20.972 1.00 0.00 ATOM 442 O PHE 54 40.323 23.432 14.060 1.00 0.00 ATOM 443 C PHE 54 40.082 24.060 15.092 1.00 0.00 ATOM 444 N TYR 55 39.874 25.373 15.103 1.00 0.00 ATOM 445 CA TYR 55 39.921 26.196 13.838 1.00 0.00 ATOM 446 CB TYR 55 39.779 27.687 14.180 1.00 0.00 ATOM 447 CG TYR 55 39.604 28.599 12.959 1.00 0.00 ATOM 448 CD1 TYR 55 40.518 29.626 12.903 1.00 0.00 ATOM 449 CD2 TYR 55 38.641 28.546 11.945 1.00 0.00 ATOM 450 CE1 TYR 55 40.478 30.571 11.897 1.00 0.00 ATOM 451 CE2 TYR 55 38.556 29.509 10.958 1.00 0.00 ATOM 452 CZ TYR 55 39.489 30.527 10.918 1.00 0.00 ATOM 453 OH TYR 55 39.490 31.392 9.869 1.00 0.00 ATOM 454 O TYR 55 41.414 26.212 11.960 1.00 0.00 ATOM 455 C TYR 55 41.290 26.078 13.179 1.00 0.00 ATOM 456 N GLY 56 42.309 25.842 13.971 1.00 0.00 ATOM 457 CA GLY 56 43.703 25.739 13.424 1.00 0.00 ATOM 458 O GLY 56 45.659 27.099 13.143 1.00 0.00 ATOM 459 C GLY 56 44.448 27.068 13.369 1.00 0.00 ATOM 460 N LYS 57 43.725 28.164 13.576 1.00 0.00 ATOM 461 CA LYS 57 44.341 29.520 13.551 1.00 0.00 ATOM 462 CB LYS 57 43.935 30.310 12.326 1.00 0.00 ATOM 463 CG LYS 57 44.436 29.760 10.995 1.00 0.00 ATOM 464 CD LYS 57 45.947 29.744 10.915 1.00 0.00 ATOM 465 CE LYS 57 46.504 31.141 10.668 1.00 0.00 ATOM 466 NZ LYS 57 46.496 31.465 9.218 1.00 0.00 ATOM 467 O LYS 57 42.718 30.036 15.241 1.00 0.00 ATOM 468 C LYS 57 43.824 30.291 14.760 1.00 0.00 ATOM 469 N THR 58 44.622 31.234 15.251 1.00 0.00 ATOM 470 CA THR 58 44.226 32.038 16.407 1.00 0.00 ATOM 471 CB THR 58 45.351 33.015 16.785 1.00 0.00 ATOM 472 CG2 THR 58 45.013 33.815 18.046 1.00 0.00 ATOM 473 OG1 THR 58 46.601 32.327 16.932 1.00 0.00 ATOM 474 O THR 58 42.755 33.422 15.114 1.00 0.00 ATOM 475 C THR 58 42.911 32.760 16.140 1.00 0.00 ATOM 476 N LEU 59 41.966 32.633 17.066 1.00 0.00 ATOM 477 CA LEU 59 40.669 33.282 16.916 1.00 0.00 ATOM 478 CB LEU 59 39.596 32.434 17.539 1.00 0.00 ATOM 479 CG LEU 59 39.372 31.220 16.666 1.00 0.00 ATOM 480 CD1 LEU 59 38.449 30.412 17.502 1.00 0.00 ATOM 481 CD2 LEU 59 38.639 31.505 15.360 1.00 0.00 ATOM 482 O LEU 59 41.539 34.780 18.544 1.00 0.00 ATOM 483 C LEU 59 40.682 34.603 17.665 1.00 0.00 ATOM 484 N PRO 60 39.799 35.544 17.303 1.00 0.00 ATOM 485 CA PRO 60 39.714 36.851 17.964 1.00 0.00 ATOM 486 CB PRO 60 38.693 37.600 17.088 1.00 0.00 ATOM 487 CG PRO 60 38.611 36.833 15.840 1.00 0.00 ATOM 488 CD PRO 60 38.834 35.389 16.257 1.00 0.00 ATOM 489 O PRO 60 38.598 35.932 19.872 1.00 0.00 ATOM 490 C PRO 60 39.530 36.605 19.463 1.00 0.00 ATOM 491 N ARG 61 40.385 37.237 20.263 1.00 0.00 ATOM 492 CA ARG 61 40.437 36.963 21.708 1.00 0.00 ATOM 493 CB ARG 61 41.580 37.719 22.382 1.00 0.00 ATOM 494 CG ARG 61 41.661 37.465 23.884 1.00 0.00 ATOM 495 CD ARG 61 42.789 38.283 24.485 1.00 0.00 ATOM 496 NE ARG 61 42.850 38.108 25.933 1.00 0.00 ATOM 497 CZ ARG 61 43.799 38.673 26.678 1.00 0.00 ATOM 498 NH1 ARG 61 44.721 39.488 26.197 1.00 0.00 ATOM 499 NH2 ARG 61 43.883 38.422 27.955 1.00 0.00 ATOM 500 O ARG 61 38.307 36.423 22.667 1.00 0.00 ATOM 501 C ARG 61 39.102 37.303 22.367 1.00 0.00 ATOM 502 N ARG 62 38.828 38.603 22.401 1.00 0.00 ATOM 503 CA ARG 62 37.679 39.097 23.176 1.00 0.00 ATOM 504 CB ARG 62 37.794 40.609 23.185 1.00 0.00 ATOM 505 CG ARG 62 38.876 41.192 24.080 1.00 0.00 ATOM 506 CD ARG 62 38.601 42.655 24.471 1.00 0.00 ATOM 507 NE ARG 62 38.595 43.498 23.278 1.00 0.00 ATOM 508 CZ ARG 62 39.602 43.996 22.545 1.00 0.00 ATOM 509 NH1 ARG 62 40.833 43.807 22.931 1.00 0.00 ATOM 510 NH2 ARG 62 39.374 44.714 21.449 1.00 0.00 ATOM 511 O ARG 62 35.418 38.243 23.348 1.00 0.00 ATOM 512 C ARG 62 36.347 38.534 22.594 1.00 0.00 ATOM 513 N GLU 63 36.277 38.392 21.275 1.00 0.00 ATOM 514 CA GLU 63 35.075 37.872 20.633 1.00 0.00 ATOM 515 CB GLU 63 35.162 38.025 19.115 1.00 0.00 ATOM 516 CG GLU 63 35.177 39.502 18.787 1.00 0.00 ATOM 517 CD GLU 63 33.930 40.244 19.242 1.00 0.00 ATOM 518 OE1 GLU 63 32.804 39.851 18.936 1.00 0.00 ATOM 519 OE2 GLU 63 34.165 41.244 19.932 1.00 0.00 ATOM 520 O GLU 63 33.747 36.009 21.343 1.00 0.00 ATOM 521 C GLU 63 34.868 36.423 21.040 1.00 0.00 ATOM 522 N ALA 64 35.947 35.647 21.047 1.00 0.00 ATOM 523 CA ALA 64 35.865 34.241 21.423 1.00 0.00 ATOM 524 CB ALA 64 37.197 33.548 21.150 1.00 0.00 ATOM 525 O ALA 64 34.664 33.278 23.255 1.00 0.00 ATOM 526 C ALA 64 35.495 34.104 22.905 1.00 0.00 ATOM 527 N GLU 65 35.999 35.019 23.736 1.00 0.00 ATOM 528 CA GLU 65 35.668 35.063 25.170 1.00 0.00 ATOM 529 CB GLU 65 36.545 36.100 25.880 1.00 0.00 ATOM 530 CG GLU 65 37.975 35.613 26.078 1.00 0.00 ATOM 531 CD GLU 65 38.964 36.703 26.453 1.00 0.00 ATOM 532 OE1 GLU 65 38.656 37.909 26.311 1.00 0.00 ATOM 533 OE2 GLU 65 40.075 36.336 26.892 1.00 0.00 ATOM 534 O GLU 65 33.537 34.675 26.236 1.00 0.00 ATOM 535 C GLU 65 34.182 35.363 25.442 1.00 0.00 ATOM 536 N LYS 66 33.600 36.185 24.558 1.00 0.00 ATOM 537 CA LYS 66 32.150 36.425 24.507 1.00 0.00 ATOM 538 CB LYS 66 31.818 37.477 23.460 1.00 0.00 ATOM 539 CG LYS 66 32.176 38.892 23.916 1.00 0.00 ATOM 540 CD LYS 66 31.860 39.884 22.798 1.00 0.00 ATOM 541 CE LYS 66 32.130 41.306 23.278 1.00 0.00 ATOM 542 NZ LYS 66 32.059 42.253 22.167 1.00 0.00 ATOM 543 O LYS 66 30.470 34.728 24.824 1.00 0.00 ATOM 544 C LYS 66 31.438 35.113 24.174 1.00 0.00 ATOM 545 N VAL 67 31.945 34.399 23.184 1.00 0.00 ATOM 546 CA VAL 67 31.399 33.065 22.828 1.00 0.00 ATOM 547 CB VAL 67 32.030 32.446 21.571 1.00 0.00 ATOM 548 CG1 VAL 67 31.551 31.009 21.392 1.00 0.00 ATOM 549 CG2 VAL 67 31.676 33.292 20.341 1.00 0.00 ATOM 550 O VAL 67 30.565 31.381 24.321 1.00 0.00 ATOM 551 C VAL 67 31.511 32.107 24.011 1.00 0.00 ATOM 552 N PHE 68 32.666 32.107 24.668 1.00 0.00 ATOM 553 CA PHE 68 32.893 31.220 25.836 1.00 0.00 ATOM 554 CB PHE 68 34.301 31.333 26.352 1.00 0.00 ATOM 555 CG PHE 68 35.356 30.705 25.464 1.00 0.00 ATOM 556 CD1 PHE 68 35.088 29.612 24.664 1.00 0.00 ATOM 557 CD2 PHE 68 36.647 31.220 25.471 1.00 0.00 ATOM 558 CE1 PHE 68 36.086 29.056 23.875 1.00 0.00 ATOM 559 CE2 PHE 68 37.649 30.659 24.704 1.00 0.00 ATOM 560 CZ PHE 68 37.357 29.571 23.903 1.00 0.00 ATOM 561 O PHE 68 31.312 30.668 27.555 1.00 0.00 ATOM 562 C PHE 68 31.907 31.560 26.949 1.00 0.00 ATOM 563 N GLU 69 31.734 32.851 27.216 1.00 0.00 ATOM 564 CA GLU 69 30.840 33.264 28.226 1.00 0.00 ATOM 565 CB GLU 69 31.016 34.751 28.455 1.00 0.00 ATOM 566 CG GLU 69 32.305 35.095 29.196 1.00 0.00 ATOM 567 CD GLU 69 32.536 36.602 29.281 1.00 0.00 ATOM 568 OE1 GLU 69 31.657 37.338 28.773 1.00 0.00 ATOM 569 OE2 GLU 69 33.556 37.028 29.854 1.00 0.00 ATOM 570 O GLU 69 28.618 32.470 28.684 1.00 0.00 ATOM 571 C GLU 69 29.404 32.898 27.838 1.00 0.00 ATOM 572 N LEU 70 29.069 33.069 26.564 1.00 0.00 ATOM 573 CA LEU 70 27.729 32.750 26.084 1.00 0.00 ATOM 574 CB LEU 70 27.637 33.077 24.593 1.00 0.00 ATOM 575 CG LEU 70 26.306 32.668 23.972 1.00 0.00 ATOM 576 CD1 LEU 70 25.131 33.328 24.684 1.00 0.00 ATOM 577 CD2 LEU 70 26.256 33.088 22.516 1.00 0.00 ATOM 578 O LEU 70 26.285 30.943 26.674 1.00 0.00 ATOM 579 C LEU 70 27.400 31.292 26.284 1.00 0.00 ATOM 580 N LEU 71 28.374 30.426 26.017 1.00 0.00 ATOM 581 CA LEU 71 28.173 28.991 26.177 1.00 0.00 ATOM 582 CB LEU 71 29.374 28.205 25.633 1.00 0.00 ATOM 583 CG LEU 71 29.128 26.714 25.843 1.00 0.00 ATOM 584 CD1 LEU 71 27.886 26.298 25.089 1.00 0.00 ATOM 585 CD2 LEU 71 30.310 25.930 25.346 1.00 0.00 ATOM 586 O LEU 71 27.030 27.845 27.953 1.00 0.00 ATOM 587 C LEU 71 27.905 28.646 27.645 1.00 0.00 ATOM 588 N ASN 72 28.668 29.264 28.531 1.00 0.00 ATOM 589 CA ASN 72 28.431 29.037 29.963 1.00 0.00 ATOM 590 CB ASN 72 29.478 29.673 30.835 1.00 0.00 ATOM 591 CG ASN 72 30.865 29.109 30.661 1.00 0.00 ATOM 592 ND2 ASN 72 31.780 29.943 31.028 1.00 0.00 ATOM 593 OD1 ASN 72 31.120 27.959 30.341 1.00 0.00 ATOM 594 O ASN 72 26.307 28.732 31.040 1.00 0.00 ATOM 595 C ASN 72 27.016 29.462 30.346 1.00 0.00 ATOM 596 N ASP 73 26.607 30.641 29.890 1.00 0.00 ATOM 597 CA ASP 73 25.247 31.162 30.193 1.00 0.00 ATOM 598 CB ASP 73 25.068 32.635 29.800 1.00 0.00 ATOM 599 CG ASP 73 25.807 33.641 30.697 1.00 0.00 ATOM 600 OD1 ASP 73 26.074 33.321 31.878 1.00 0.00 ATOM 601 OD2 ASP 73 26.097 34.737 30.191 1.00 0.00 ATOM 602 O ASP 73 23.149 29.999 30.262 1.00 0.00 ATOM 603 C ASP 73 24.188 30.216 29.636 1.00 0.00 ATOM 604 N PHE 74 24.453 29.654 28.461 1.00 0.00 ATOM 605 CA PHE 74 23.542 28.770 27.875 1.00 0.00 ATOM 606 CB PHE 74 24.129 28.462 26.506 1.00 0.00 ATOM 607 CG PHE 74 23.141 27.703 25.616 1.00 0.00 ATOM 608 CD1 PHE 74 22.133 28.401 24.972 1.00 0.00 ATOM 609 CD2 PHE 74 23.272 26.327 25.439 1.00 0.00 ATOM 610 CE1 PHE 74 21.233 27.713 24.166 1.00 0.00 ATOM 611 CE2 PHE 74 22.372 25.650 24.624 1.00 0.00 ATOM 612 CZ PHE 74 21.353 26.348 23.988 1.00 0.00 ATOM 613 O PHE 74 22.377 26.986 28.997 1.00 0.00 ATOM 614 C PHE 74 23.467 27.486 28.717 1.00 0.00 ATOM 615 N LYS 75 24.623 26.964 29.112 1.00 0.00 ATOM 616 CA LYS 75 24.667 25.749 29.917 1.00 0.00 ATOM 617 CB LYS 75 26.131 25.495 30.238 1.00 0.00 ATOM 618 CG LYS 75 26.926 24.935 29.049 1.00 0.00 ATOM 619 CD LYS 75 28.344 24.537 29.471 1.00 0.00 ATOM 620 CE LYS 75 29.130 23.997 28.270 1.00 0.00 ATOM 621 NZ LYS 75 30.540 23.727 28.601 1.00 0.00 ATOM 622 O LYS 75 23.015 25.081 31.525 1.00 0.00 ATOM 623 C LYS 75 23.815 25.947 31.166 1.00 0.00 ATOM 624 N GLY 76 23.986 27.088 31.827 1.00 0.00 ATOM 625 CA GLY 76 23.210 27.399 33.061 1.00 0.00 ATOM 626 O GLY 76 20.932 27.538 33.800 1.00 0.00 ATOM 627 C GLY 76 21.718 27.639 32.857 1.00 0.00 ATOM 628 N GLY 77 21.329 27.957 31.626 1.00 0.00 ATOM 629 CA GLY 77 19.914 28.208 31.309 1.00 0.00 ATOM 630 O GLY 77 18.071 27.164 30.163 1.00 0.00 ATOM 631 C GLY 77 19.159 27.006 30.721 1.00 0.00 ATOM 632 N ILE 78 19.737 25.816 30.848 1.00 0.00 ATOM 633 CA ILE 78 19.107 24.610 30.328 1.00 0.00 ATOM 634 CB ILE 78 20.024 23.807 29.379 1.00 0.00 ATOM 635 CG1 ILE 78 20.241 24.607 28.091 1.00 0.00 ATOM 636 CG2 ILE 78 19.437 22.431 29.028 1.00 0.00 ATOM 637 CD1 ILE 78 21.359 24.079 27.190 1.00 0.00 ATOM 638 O ILE 78 19.433 23.609 32.480 1.00 0.00 ATOM 639 C ILE 78 18.699 23.726 31.497 1.00 0.00 ATOM 640 N ASP 79 17.531 23.103 31.389 1.00 0.00 ATOM 641 CA ASP 79 17.042 22.227 32.449 1.00 0.00 ATOM 642 CB ASP 79 16.615 23.033 33.671 1.00 0.00 ATOM 643 CG ASP 79 15.617 24.131 33.356 1.00 0.00 ATOM 644 OD1 ASP 79 14.698 23.887 32.548 1.00 0.00 ATOM 645 OD2 ASP 79 15.684 25.274 33.867 1.00 0.00 ATOM 646 O ASP 79 15.640 21.382 30.679 1.00 0.00 ATOM 647 C ASP 79 16.137 21.172 31.788 1.00 0.00 ATOM 648 N TRP 80 16.005 20.046 32.458 1.00 0.00 ATOM 649 CA TRP 80 15.139 18.942 31.992 1.00 0.00 ATOM 650 CB TRP 80 15.947 17.643 31.976 1.00 0.00 ATOM 651 CG TRP 80 15.097 16.427 31.604 1.00 0.00 ATOM 652 CD1 TRP 80 14.706 15.496 32.466 1.00 0.00 ATOM 653 CD2 TRP 80 14.605 16.089 30.393 1.00 0.00 ATOM 654 CE2 TRP 80 13.888 14.924 30.532 1.00 0.00 ATOM 655 CE3 TRP 80 14.672 16.689 29.100 1.00 0.00 ATOM 656 NE1 TRP 80 13.983 14.588 31.850 1.00 0.00 ATOM 657 CZ2 TRP 80 13.261 14.328 29.494 1.00 0.00 ATOM 658 CZ3 TRP 80 14.047 16.082 28.052 1.00 0.00 ATOM 659 CH2 TRP 80 13.338 14.909 28.203 1.00 0.00 ATOM 660 O TRP 80 13.817 18.996 33.992 1.00 0.00 ATOM 661 C TRP 80 13.825 19.021 32.760 1.00 0.00 ATOM 662 N GLU 81 12.717 19.116 32.033 1.00 0.00 ATOM 663 CA GLU 81 11.411 19.196 32.663 1.00 0.00 ATOM 664 CB GLU 81 10.713 20.536 32.417 1.00 0.00 ATOM 665 CG GLU 81 11.133 21.678 33.350 1.00 0.00 ATOM 666 CD GLU 81 10.790 21.369 34.805 1.00 0.00 ATOM 667 OE1 GLU 81 9.827 20.618 35.024 1.00 0.00 ATOM 668 OE2 GLU 81 11.450 21.969 35.674 1.00 0.00 ATOM 669 O GLU 81 10.100 18.309 30.860 1.00 0.00 ATOM 670 C GLU 81 10.473 18.175 32.027 1.00 0.00 ATOM 671 N ASN 82 10.090 17.160 32.795 1.00 0.00 ATOM 672 CA ASN 82 9.179 16.111 32.289 1.00 0.00 ATOM 673 CB ASN 82 7.826 16.721 31.880 1.00 0.00 ATOM 674 CG ASN 82 7.101 17.334 33.056 1.00 0.00 ATOM 675 ND2 ASN 82 6.256 18.251 32.741 1.00 0.00 ATOM 676 OD1 ASN 82 7.204 16.960 34.199 1.00 0.00 ATOM 677 O ASN 82 10.877 14.758 31.222 1.00 0.00 ATOM 678 C ASN 82 9.857 15.428 31.070 1.00 0.00 ATOM 679 N LYS 83 9.282 15.610 29.884 1.00 0.00 ATOM 680 CA LYS 83 9.843 15.018 28.676 1.00 0.00 ATOM 681 CB LYS 83 8.828 13.996 28.131 1.00 0.00 ATOM 682 CG LYS 83 7.826 14.579 27.130 1.00 0.00 ATOM 683 CD LYS 83 6.389 14.087 27.187 1.00 0.00 ATOM 684 CE LYS 83 6.257 12.593 26.903 1.00 0.00 ATOM 685 NZ LYS 83 5.031 12.388 26.155 1.00 0.00 ATOM 686 O LYS 83 10.410 15.836 26.493 1.00 0.00 ATOM 687 C LYS 83 10.320 16.084 27.697 1.00 0.00 ATOM 688 N ARG 84 10.627 17.269 28.214 1.00 0.00 ATOM 689 CA ARG 84 11.110 18.392 27.360 1.00 0.00 ATOM 690 CB ARG 84 10.000 19.446 27.380 1.00 0.00 ATOM 691 CG ARG 84 10.329 20.659 26.498 1.00 0.00 ATOM 692 CD ARG 84 9.158 21.609 26.375 1.00 0.00 ATOM 693 NE ARG 84 8.759 22.090 27.713 1.00 0.00 ATOM 694 CZ ARG 84 9.366 23.059 28.398 1.00 0.00 ATOM 695 NH1 ARG 84 8.879 23.435 29.568 1.00 0.00 ATOM 696 NH2 ARG 84 10.433 23.690 27.925 1.00 0.00 ATOM 697 O ARG 84 12.523 19.236 29.129 1.00 0.00 ATOM 698 C ARG 84 12.390 19.038 27.920 1.00 0.00 ATOM 699 N VAL 85 13.115 19.652 27.002 1.00 0.00 ATOM 700 CA VAL 85 14.267 20.500 27.355 1.00 0.00 ATOM 701 CB VAL 85 15.346 20.450 26.270 1.00 0.00 ATOM 702 CG1 VAL 85 16.533 21.383 26.615 1.00 0.00 ATOM 703 CG2 VAL 85 15.831 19.007 26.079 1.00 0.00 ATOM 704 O VAL 85 13.170 22.491 26.591 1.00 0.00 ATOM 705 C VAL 85 13.768 21.932 27.510 1.00 0.00 ATOM 706 N LYS 86 14.018 22.525 28.674 1.00 0.00 ATOM 707 CA LYS 86 13.592 23.881 28.923 1.00 0.00 ATOM 708 CB LYS 86 12.993 23.966 30.321 1.00 0.00 ATOM 709 CG LYS 86 12.491 25.373 30.632 1.00 0.00 ATOM 710 CD LYS 86 11.932 25.383 32.050 1.00 0.00 ATOM 711 CE LYS 86 11.393 26.757 32.383 1.00 0.00 ATOM 712 NZ LYS 86 10.871 26.726 33.749 1.00 0.00 ATOM 713 O LYS 86 15.813 24.639 29.448 1.00 0.00 ATOM 714 C LYS 86 14.807 24.799 28.755 1.00 0.00 ATOM 715 N LEU 87 14.710 25.757 27.837 1.00 0.00 ATOM 716 CA LEU 87 15.806 26.687 27.597 1.00 0.00 ATOM 717 CB LEU 87 16.352 26.535 26.176 1.00 0.00 ATOM 718 CG LEU 87 17.406 27.607 25.862 1.00 0.00 ATOM 719 CD1 LEU 87 18.705 27.395 26.631 1.00 0.00 ATOM 720 CD2 LEU 87 17.739 27.594 24.400 1.00 0.00 ATOM 721 O LEU 87 14.202 28.491 27.347 1.00 0.00 ATOM 722 C LEU 87 15.273 28.101 27.818 1.00 0.00 ATOM 723 N LYS 88 15.957 28.811 28.698 1.00 0.00 ATOM 724 CA LYS 88 15.575 30.191 29.026 1.00 0.00 ATOM 725 CB LYS 88 16.492 30.765 30.106 1.00 0.00 ATOM 726 CG LYS 88 16.277 30.090 31.462 1.00 0.00 ATOM 727 CD LYS 88 17.187 30.713 32.508 1.00 0.00 ATOM 728 CE LYS 88 17.084 29.984 33.837 1.00 0.00 ATOM 729 NZ LYS 88 17.921 30.622 34.839 1.00 0.00 ATOM 730 O LYS 88 16.571 30.984 26.992 1.00 0.00 ATOM 731 C LYS 88 15.636 31.079 27.788 1.00 0.00 ATOM 732 N LEU 89 14.638 31.943 27.627 1.00 0.00 ATOM 733 CA LEU 89 14.589 32.850 26.471 1.00 0.00 ATOM 734 CB LEU 89 13.277 33.622 26.474 1.00 0.00 ATOM 735 CG LEU 89 12.075 32.743 26.206 1.00 0.00 ATOM 736 CD1 LEU 89 10.886 33.698 26.111 1.00 0.00 ATOM 737 CD2 LEU 89 12.243 31.998 24.883 1.00 0.00 ATOM 738 O LEU 89 16.246 34.218 25.404 1.00 0.00 ATOM 739 C LEU 89 15.769 33.816 26.466 1.00 0.00 ATOM 740 N ASN 90 16.239 34.185 27.654 1.00 0.00 ATOM 741 CA ASN 90 17.363 35.099 27.766 1.00 0.00 ATOM 742 CB ASN 90 17.699 35.384 29.225 1.00 0.00 ATOM 743 CG ASN 90 16.672 36.328 29.816 1.00 0.00 ATOM 744 ND2 ASN 90 16.630 36.385 31.108 1.00 0.00 ATOM 745 OD1 ASN 90 15.965 36.993 29.098 1.00 0.00 ATOM 746 O ASN 90 19.381 35.260 26.476 1.00 0.00 ATOM 747 C ASN 90 18.578 34.520 27.047 1.00 0.00 ATOM 748 N ASP 91 18.713 33.198 27.077 1.00 0.00 ATOM 749 CA ASP 91 19.836 32.538 26.421 1.00 0.00 ATOM 750 CB ASP 91 19.849 31.065 26.671 1.00 0.00 ATOM 751 CG ASP 91 20.255 30.724 28.089 1.00 0.00 ATOM 752 OD1 ASP 91 20.706 31.625 28.825 1.00 0.00 ATOM 753 OD2 ASP 91 20.147 29.565 28.542 1.00 0.00 ATOM 754 O ASP 91 20.723 33.090 24.248 1.00 0.00 ATOM 755 C ASP 91 19.730 32.760 24.900 1.00 0.00 ATOM 756 N LEU 92 18.535 32.578 24.349 1.00 0.00 ATOM 757 CA LEU 92 18.324 32.764 22.918 1.00 0.00 ATOM 758 CB LEU 92 16.892 32.361 22.554 1.00 0.00 ATOM 759 CG LEU 92 16.580 30.867 22.730 1.00 0.00 ATOM 760 CD1 LEU 92 15.114 30.602 22.421 1.00 0.00 ATOM 761 CD2 LEU 92 17.478 30.043 21.802 1.00 0.00 ATOM 762 O LEU 92 19.177 34.472 21.468 1.00 0.00 ATOM 763 C LEU 92 18.573 34.211 22.509 1.00 0.00 ATOM 764 N LEU 93 18.109 35.140 23.327 1.00 0.00 ATOM 765 CA LEU 93 18.312 36.557 23.038 1.00 0.00 ATOM 766 CB LEU 93 17.640 37.461 24.037 1.00 0.00 ATOM 767 CG LEU 93 16.126 37.422 23.902 1.00 0.00 ATOM 768 CD1 LEU 93 15.643 38.249 25.066 1.00 0.00 ATOM 769 CD2 LEU 93 15.625 38.029 22.600 1.00 0.00 ATOM 770 O LEU 93 20.305 37.481 22.078 1.00 0.00 ATOM 771 C LEU 93 19.806 36.867 23.024 1.00 0.00 ATOM 772 N ALA 94 20.505 36.285 23.988 1.00 0.00 ATOM 773 CA ALA 94 21.966 36.420 24.098 1.00 0.00 ATOM 774 CB ALA 94 22.431 35.832 25.422 1.00 0.00 ATOM 775 O ALA 94 23.578 36.347 22.322 1.00 0.00 ATOM 776 C ALA 94 22.630 35.792 22.876 1.00 0.00 ATOM 777 N LEU 95 22.128 34.634 22.458 1.00 0.00 ATOM 778 CA LEU 95 22.687 33.922 21.272 1.00 0.00 ATOM 779 CB LEU 95 21.990 32.568 21.089 1.00 0.00 ATOM 780 CG LEU 95 22.091 31.681 22.323 1.00 0.00 ATOM 781 CD1 LEU 95 21.248 30.445 22.104 1.00 0.00 ATOM 782 CD2 LEU 95 23.508 31.272 22.684 1.00 0.00 ATOM 783 O LEU 95 23.508 34.933 19.257 1.00 0.00 ATOM 784 C LEU 95 22.561 34.805 20.035 1.00 0.00 ATOM 785 N GLU 96 21.393 35.412 19.855 1.00 0.00 ATOM 786 CA GLU 96 21.160 36.282 18.702 1.00 0.00 ATOM 787 CB GLU 96 19.708 36.716 18.651 1.00 0.00 ATOM 788 CG GLU 96 18.757 35.598 18.241 1.00 0.00 ATOM 789 CD GLU 96 17.290 36.068 18.256 1.00 0.00 ATOM 790 OE1 GLU 96 17.005 37.198 18.725 1.00 0.00 ATOM 791 OE2 GLU 96 16.441 35.240 17.896 1.00 0.00 ATOM 792 O GLU 96 22.678 37.878 17.749 1.00 0.00 ATOM 793 C GLU 96 22.077 37.499 18.756 1.00 0.00 ATOM 794 N THR 97 22.184 38.111 19.932 1.00 0.00 ATOM 795 CA THR 97 23.047 39.302 20.109 1.00 0.00 ATOM 796 CB THR 97 22.922 39.851 21.540 1.00 0.00 ATOM 797 CG2 THR 97 23.800 41.086 21.793 1.00 0.00 ATOM 798 OG1 THR 97 21.561 40.199 21.782 1.00 0.00 ATOM 799 O THR 97 25.206 39.736 19.156 1.00 0.00 ATOM 800 C THR 97 24.501 38.960 19.802 1.00 0.00 ATOM 801 N MET 98 24.948 37.797 20.267 1.00 0.00 ATOM 802 CA MET 98 26.321 37.368 20.031 1.00 0.00 ATOM 803 CB MET 98 26.642 36.131 20.835 1.00 0.00 ATOM 804 CG MET 98 26.573 36.362 22.341 1.00 0.00 ATOM 805 SD MET 98 27.839 37.485 23.008 1.00 0.00 ATOM 806 CE MET 98 26.771 38.871 23.279 1.00 0.00 ATOM 807 O MET 98 27.612 37.578 18.002 1.00 0.00 ATOM 808 C MET 98 26.581 37.151 18.525 1.00 0.00 ATOM 809 N LEU 99 25.649 36.492 17.845 1.00 0.00 ATOM 810 CA LEU 99 25.795 36.235 16.416 1.00 0.00 ATOM 811 CB LEU 99 24.587 35.430 15.898 1.00 0.00 ATOM 812 CG LEU 99 24.560 35.138 14.392 1.00 0.00 ATOM 813 CD1 LEU 99 25.708 34.207 14.016 1.00 0.00 ATOM 814 CD2 LEU 99 23.220 34.510 14.017 1.00 0.00 ATOM 815 O LEU 99 26.742 37.652 14.714 1.00 0.00 ATOM 816 C LEU 99 25.892 37.529 15.592 1.00 0.00 ATOM 817 N GLU 100 25.081 38.497 15.997 1.00 0.00 ATOM 818 CA GLU 100 25.086 39.809 15.352 1.00 0.00 ATOM 819 CB GLU 100 24.164 40.811 15.989 1.00 0.00 ATOM 820 CG GLU 100 22.697 40.553 15.742 1.00 0.00 ATOM 821 CD GLU 100 21.734 41.460 16.475 1.00 0.00 ATOM 822 OE1 GLU 100 22.028 41.824 17.633 1.00 0.00 ATOM 823 OE2 GLU 100 20.684 41.806 15.912 1.00 0.00 ATOM 824 O GLU 100 27.107 40.806 14.524 1.00 0.00 ATOM 825 C GLU 100 26.466 40.441 15.510 1.00 0.00 ATOM 826 N GLU 101 26.922 40.565 16.753 1.00 0.00 ATOM 827 CA GLU 101 28.240 41.160 17.028 1.00 0.00 ATOM 828 CB GLU 101 28.439 41.321 18.531 1.00 0.00 ATOM 829 CG GLU 101 27.507 42.356 19.159 1.00 0.00 ATOM 830 CD GLU 101 27.809 42.570 20.642 1.00 0.00 ATOM 831 OE1 GLU 101 28.622 41.806 21.193 1.00 0.00 ATOM 832 OE2 GLU 101 27.306 43.545 21.238 1.00 0.00 ATOM 833 O GLU 101 30.345 40.861 15.916 1.00 0.00 ATOM 834 C GLU 101 29.360 40.321 16.424 1.00 0.00 ATOM 835 N TRP 102 29.212 39.001 16.480 1.00 0.00 ATOM 836 CA TRP 102 30.241 38.072 15.921 1.00 0.00 ATOM 837 CB TRP 102 29.849 36.622 16.091 1.00 0.00 ATOM 838 CG TRP 102 30.837 35.690 15.519 1.00 0.00 ATOM 839 CD1 TRP 102 30.778 35.022 14.313 1.00 0.00 ATOM 840 CD2 TRP 102 32.011 35.232 16.174 1.00 0.00 ATOM 841 CE2 TRP 102 32.619 34.276 15.328 1.00 0.00 ATOM 842 CE3 TRP 102 32.606 35.530 17.402 1.00 0.00 ATOM 843 NE1 TRP 102 31.848 34.169 14.196 1.00 0.00 ATOM 844 CZ2 TRP 102 33.801 33.618 15.678 1.00 0.00 ATOM 845 CZ3 TRP 102 33.784 34.867 17.753 1.00 0.00 ATOM 846 CH2 TRP 102 34.361 33.926 16.891 1.00 0.00 ATOM 847 O TRP 102 31.517 38.457 13.927 1.00 0.00 ATOM 848 C TRP 102 30.400 38.336 14.427 1.00 0.00 ATOM 849 N ASP 103 29.280 38.421 13.718 1.00 0.00 ATOM 850 CA ASP 103 29.306 38.678 12.257 1.00 0.00 ATOM 851 CB ASP 103 27.907 38.524 11.654 1.00 0.00 ATOM 852 CG ASP 103 27.399 37.086 11.645 1.00 0.00 ATOM 853 OD1 ASP 103 28.242 36.179 11.680 1.00 0.00 ATOM 854 OD2 ASP 103 26.176 36.911 11.414 1.00 0.00 ATOM 855 O ASP 103 30.770 40.159 11.055 1.00 0.00 ATOM 856 C ASP 103 29.952 40.038 11.967 1.00 0.00 ATOM 857 N ARG 104 29.583 41.051 12.745 1.00 0.00 ATOM 858 CA ARG 104 30.138 42.386 12.559 1.00 0.00 ATOM 859 CB ARG 104 29.359 43.346 13.462 1.00 0.00 ATOM 860 CG ARG 104 28.009 43.666 12.820 1.00 0.00 ATOM 861 CD ARG 104 27.173 44.524 13.734 1.00 0.00 ATOM 862 NE ARG 104 25.857 44.817 13.172 1.00 0.00 ATOM 863 CZ ARG 104 25.084 45.850 13.519 1.00 0.00 ATOM 864 NH1 ARG 104 25.461 46.730 14.405 1.00 0.00 ATOM 865 NH2 ARG 104 23.838 45.953 13.104 1.00 0.00 ATOM 866 O ARG 104 32.436 42.854 12.038 1.00 0.00 ATOM 867 C ARG 104 31.639 42.373 12.846 1.00 0.00 ATOM 868 N ARG 105 32.021 41.822 13.993 1.00 0.00 ATOM 869 CA ARG 105 33.428 41.751 14.367 1.00 0.00 ATOM 870 CB ARG 105 33.583 41.183 15.777 1.00 0.00 ATOM 871 CG ARG 105 35.052 40.837 16.056 1.00 0.00 ATOM 872 CD ARG 105 35.942 42.077 16.042 1.00 0.00 ATOM 873 NE ARG 105 37.330 41.604 16.091 1.00 0.00 ATOM 874 CZ ARG 105 38.313 42.182 15.411 1.00 0.00 ATOM 875 NH1 ARG 105 38.094 43.224 14.631 1.00 0.00 ATOM 876 NH2 ARG 105 39.537 41.699 15.521 1.00 0.00 ATOM 877 O ARG 105 35.413 41.144 13.163 1.00 0.00 ATOM 878 C ARG 105 34.238 40.877 13.415 1.00 0.00 ATOM 879 N VAL 106 33.606 39.833 12.886 1.00 0.00 ATOM 880 CA VAL 106 34.286 38.915 11.947 1.00 0.00 ATOM 881 CB VAL 106 33.508 37.596 11.801 1.00 0.00 ATOM 882 CG1 VAL 106 33.951 36.755 10.597 1.00 0.00 ATOM 883 CG2 VAL 106 33.740 36.752 13.051 1.00 0.00 ATOM 884 O VAL 106 35.605 39.591 10.055 1.00 0.00 ATOM 885 C VAL 106 34.511 39.639 10.618 1.00 0.00 ATOM 886 N LYS 107 33.474 40.308 10.122 1.00 0.00 ATOM 887 CA LYS 107 33.578 41.036 8.863 1.00 0.00 ATOM 888 CB LYS 107 32.203 41.533 8.395 1.00 0.00 ATOM 889 CG LYS 107 32.239 42.424 7.149 1.00 0.00 ATOM 890 CD LYS 107 33.004 41.928 5.917 1.00 0.00 ATOM 891 CE LYS 107 32.301 40.742 5.249 1.00 0.00 ATOM 892 NZ LYS 107 32.740 40.521 3.867 1.00 0.00 ATOM 893 O LYS 107 34.866 42.843 7.886 1.00 0.00 ATOM 894 C LYS 107 34.443 42.333 8.925 1.00 0.00 ATOM 895 N ARG 108 34.635 42.876 10.125 1.00 0.00 ATOM 896 CA ARG 108 35.369 44.126 10.279 1.00 0.00 ATOM 897 CB ARG 108 34.515 45.336 9.842 1.00 0.00 ATOM 898 CG ARG 108 33.302 45.580 10.809 1.00 0.00 ATOM 899 CD ARG 108 32.382 46.613 10.263 1.00 0.00 ATOM 900 NE ARG 108 31.096 46.680 10.986 1.00 0.00 ATOM 901 CZ ARG 108 30.035 45.932 10.717 1.00 0.00 ATOM 902 NH1 ARG 108 30.052 45.016 9.798 1.00 0.00 ATOM 903 NH2 ARG 108 28.938 46.091 11.452 1.00 0.00 ATOM 904 O ARG 108 35.615 43.613 12.593 1.00 0.00 ATOM 905 C ARG 108 36.045 44.285 11.655 1.00 0.00 TER END