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 4 Fri Jul 25 17:24:01 2008 MODEL 4 PARENT N/A ATOM 1 N SER 1 26.953 27.363 6.534 1.00 0.00 ATOM 2 CA SER 1 26.628 28.496 5.691 1.00 0.00 ATOM 3 CB SER 1 27.625 28.609 4.536 1.00 0.00 ATOM 4 OG SER 1 27.540 27.484 3.677 1.00 0.00 ATOM 5 O SER 1 24.755 29.330 4.438 1.00 0.00 ATOM 6 C SER 1 25.250 28.383 5.056 1.00 0.00 ATOM 7 N ALA 2 24.639 27.211 5.188 1.00 0.00 ATOM 8 CA ALA 2 23.313 26.986 4.635 1.00 0.00 ATOM 9 CB ALA 2 23.197 25.617 3.983 1.00 0.00 ATOM 10 O ALA 2 21.912 28.127 6.184 1.00 0.00 ATOM 11 C ALA 2 22.339 27.030 5.812 1.00 0.00 ATOM 12 N LYS 3 22.013 25.898 6.425 1.00 0.00 ATOM 13 CA LYS 3 21.079 25.899 7.519 1.00 0.00 ATOM 14 CB LYS 3 20.804 24.444 7.863 1.00 0.00 ATOM 15 CG LYS 3 19.567 23.826 7.219 1.00 0.00 ATOM 16 CD LYS 3 19.257 24.266 5.814 1.00 0.00 ATOM 17 CE LYS 3 18.642 23.140 4.998 1.00 0.00 ATOM 18 NZ LYS 3 17.784 22.193 5.783 1.00 0.00 ATOM 19 O LYS 3 20.944 27.320 9.421 1.00 0.00 ATOM 20 C LYS 3 21.653 26.615 8.702 1.00 0.00 ATOM 21 N CYS 4 22.916 26.431 8.919 1.00 0.00 ATOM 22 CA CYS 4 23.596 27.060 10.045 1.00 0.00 ATOM 23 CB CYS 4 24.709 26.109 10.493 1.00 0.00 ATOM 24 SG CYS 4 25.659 26.689 11.918 1.00 0.00 ATOM 25 O CYS 4 25.363 28.328 9.048 1.00 0.00 ATOM 26 C CYS 4 24.242 28.347 9.553 1.00 0.00 ATOM 27 N PRO 5 23.554 29.450 9.696 1.00 0.00 ATOM 28 CA PRO 5 24.035 30.753 9.276 1.00 0.00 ATOM 29 CB PRO 5 22.779 31.629 9.275 1.00 0.00 ATOM 30 CG PRO 5 21.918 31.047 10.345 1.00 0.00 ATOM 31 CD PRO 5 22.141 29.561 10.298 1.00 0.00 ATOM 32 O PRO 5 25.695 32.349 9.950 1.00 0.00 ATOM 33 C PRO 5 25.106 31.300 10.213 1.00 0.00 ATOM 34 N ILE 6 25.357 30.587 11.307 1.00 0.00 ATOM 35 CA ILE 6 26.360 31.015 12.267 1.00 0.00 ATOM 36 CB ILE 6 26.154 30.356 13.644 1.00 0.00 ATOM 37 CG1 ILE 6 24.830 30.811 14.260 1.00 0.00 ATOM 38 CG2 ILE 6 27.282 30.737 14.591 1.00 0.00 ATOM 39 CD1 ILE 6 24.434 30.038 15.499 1.00 0.00 ATOM 40 O ILE 6 28.672 31.492 11.845 1.00 0.00 ATOM 41 C ILE 6 27.768 30.656 11.806 1.00 0.00 ATOM 42 N CYS 7 27.951 29.415 11.369 1.00 0.00 ATOM 43 CA CYS 7 29.257 28.964 10.901 1.00 0.00 ATOM 44 CB CYS 7 29.990 28.184 11.994 1.00 0.00 ATOM 45 SG CYS 7 29.220 26.607 12.429 1.00 0.00 ATOM 46 O CYS 7 30.107 27.643 9.103 1.00 0.00 ATOM 47 C CYS 7 29.115 27.974 9.747 1.00 0.00 ATOM 48 N GLY 8 27.895 27.495 9.503 1.00 0.00 ATOM 49 CA GLY 8 27.694 26.554 8.410 1.00 0.00 ATOM 50 O GLY 8 28.019 24.229 7.944 1.00 0.00 ATOM 51 C GLY 8 27.999 25.113 8.798 1.00 0.00 ATOM 52 N SER 9 28.237 24.879 10.091 1.00 0.00 ATOM 53 CA SER 9 28.539 23.551 10.585 1.00 0.00 ATOM 54 CB SER 9 28.464 23.520 12.112 1.00 0.00 ATOM 55 OG SER 9 28.699 22.214 12.609 1.00 0.00 ATOM 56 O SER 9 26.361 22.837 9.900 1.00 0.00 ATOM 57 C SER 9 27.554 22.561 9.981 1.00 0.00 ATOM 58 N PRO 10 28.060 21.400 9.556 1.00 0.00 ATOM 59 CA PRO 10 27.225 20.372 8.962 1.00 0.00 ATOM 60 CB PRO 10 28.135 19.141 8.941 1.00 0.00 ATOM 61 CG PRO 10 29.515 19.699 8.837 1.00 0.00 ATOM 62 CD PRO 10 29.528 20.940 9.684 1.00 0.00 ATOM 63 O PRO 10 25.046 19.455 9.367 1.00 0.00 ATOM 64 C PRO 10 25.988 20.111 9.814 1.00 0.00 ATOM 65 N LEU 11 25.992 20.625 11.040 1.00 0.00 ATOM 66 CA LEU 11 24.863 20.441 11.935 1.00 0.00 ATOM 67 CB LEU 11 25.130 21.143 13.255 1.00 0.00 ATOM 68 CG LEU 11 24.032 20.978 14.298 1.00 0.00 ATOM 69 CD1 LEU 11 23.869 19.551 14.724 1.00 0.00 ATOM 70 CD2 LEU 11 24.321 21.855 15.520 1.00 0.00 ATOM 71 O LEU 11 23.741 22.265 10.855 1.00 0.00 ATOM 72 C LEU 11 23.634 21.167 11.405 1.00 0.00 ATOM 73 N LYS 12 22.466 20.555 11.569 1.00 0.00 ATOM 74 CA LYS 12 21.224 21.159 11.102 1.00 0.00 ATOM 75 CB LYS 12 20.540 20.015 10.091 1.00 0.00 ATOM 76 CG LYS 12 21.459 19.088 9.278 1.00 0.00 ATOM 77 CD LYS 12 21.345 17.651 9.772 1.00 0.00 ATOM 78 CE LYS 12 22.147 16.636 8.924 1.00 0.00 ATOM 79 NZ LYS 12 22.816 17.212 7.710 1.00 0.00 ATOM 80 O LYS 12 19.482 21.870 12.591 1.00 0.00 ATOM 81 C LYS 12 20.621 22.069 12.167 1.00 0.00 ATOM 82 N TRP 13 21.386 23.069 12.596 1.00 0.00 ATOM 83 CA TRP 13 20.910 24.000 13.608 1.00 0.00 ATOM 84 CB TRP 13 21.877 25.254 13.579 1.00 0.00 ATOM 85 CG TRP 13 21.549 26.409 14.491 1.00 0.00 ATOM 86 CD1 TRP 13 21.451 27.730 14.127 1.00 0.00 ATOM 87 CD2 TRP 13 21.226 26.359 15.900 1.00 0.00 ATOM 88 CE2 TRP 13 20.919 27.694 16.310 1.00 0.00 ATOM 89 CE3 TRP 13 21.166 25.326 16.853 1.00 0.00 ATOM 90 NE1 TRP 13 21.062 28.505 15.217 1.00 0.00 ATOM 91 CZ2 TRP 13 20.559 28.009 17.636 1.00 0.00 ATOM 92 CZ3 TRP 13 20.801 25.636 18.165 1.00 0.00 ATOM 93 CH2 TRP 13 20.500 26.966 18.543 1.00 0.00 ATOM 94 O TRP 13 18.694 24.484 14.391 1.00 0.00 ATOM 95 C TRP 13 19.438 24.350 13.418 1.00 0.00 ATOM 96 N GLU 14 19.018 24.497 12.165 1.00 0.00 ATOM 97 CA GLU 14 17.633 24.829 11.868 1.00 0.00 ATOM 98 CB GLU 14 17.475 25.254 10.427 1.00 0.00 ATOM 99 CG GLU 14 16.057 25.672 10.085 1.00 0.00 ATOM 100 CD GLU 14 15.632 27.016 10.654 1.00 0.00 ATOM 101 OE1 GLU 14 16.477 27.772 11.197 1.00 0.00 ATOM 102 OE2 GLU 14 14.413 27.313 10.538 1.00 0.00 ATOM 103 O GLU 14 15.686 23.770 12.773 1.00 0.00 ATOM 104 C GLU 14 16.724 23.635 12.128 1.00 0.00 ATOM 105 N GLU 15 17.118 22.462 11.625 1.00 0.00 ATOM 106 CA GLU 15 16.340 21.253 11.804 1.00 0.00 ATOM 107 CB GLU 15 16.966 20.109 10.993 1.00 0.00 ATOM 108 CG GLU 15 16.563 18.729 11.500 1.00 0.00 ATOM 109 CD GLU 15 17.016 17.594 10.592 1.00 0.00 ATOM 110 OE1 GLU 15 17.415 17.871 9.444 1.00 0.00 ATOM 111 OE2 GLU 15 16.972 16.425 11.034 1.00 0.00 ATOM 112 O GLU 15 15.216 20.480 13.776 1.00 0.00 ATOM 113 C GLU 15 16.279 20.845 13.270 1.00 0.00 ATOM 114 N LEU 16 17.419 20.905 13.951 1.00 0.00 ATOM 115 CA LEU 16 17.476 20.540 15.362 1.00 0.00 ATOM 116 CB LEU 16 18.887 20.743 15.916 1.00 0.00 ATOM 117 CG LEU 16 19.954 19.762 15.429 1.00 0.00 ATOM 118 CD1 LEU 16 21.334 20.184 15.910 1.00 0.00 ATOM 119 CD2 LEU 16 19.676 18.361 15.956 1.00 0.00 ATOM 120 O LEU 16 15.742 20.927 16.975 1.00 0.00 ATOM 121 C LEU 16 16.507 21.419 16.145 1.00 0.00 ATOM 122 N ILE 17 16.540 22.721 15.880 1.00 0.00 ATOM 123 CA ILE 17 15.657 23.654 16.566 1.00 0.00 ATOM 124 CB ILE 17 15.951 25.099 16.166 1.00 0.00 ATOM 125 CG1 ILE 17 17.301 25.539 16.736 1.00 0.00 ATOM 126 CG2 ILE 17 14.833 26.058 16.590 1.00 0.00 ATOM 127 CD1 ILE 17 17.366 25.606 18.261 1.00 0.00 ATOM 128 O ILE 17 13.383 23.266 17.219 1.00 0.00 ATOM 129 C ILE 17 14.198 23.314 16.297 1.00 0.00 ATOM 130 N GLU 18 13.869 23.075 15.030 1.00 0.00 ATOM 131 CA GLU 18 12.501 22.737 14.656 1.00 0.00 ATOM 132 CB GLU 18 12.331 22.652 13.144 1.00 0.00 ATOM 133 CG GLU 18 12.410 23.960 12.395 1.00 0.00 ATOM 134 CD GLU 18 12.092 23.787 10.914 1.00 0.00 ATOM 135 OE1 GLU 18 12.616 22.838 10.296 1.00 0.00 ATOM 136 OE2 GLU 18 11.321 24.594 10.363 1.00 0.00 ATOM 137 O GLU 18 10.985 21.267 15.782 1.00 0.00 ATOM 138 C GLU 18 12.071 21.390 15.219 1.00 0.00 ATOM 139 N GLU 19 12.927 20.377 15.067 1.00 0.00 ATOM 140 CA GLU 19 12.635 19.047 15.559 1.00 0.00 ATOM 141 CB GLU 19 13.688 18.066 15.409 1.00 0.00 ATOM 142 CG GLU 19 13.781 17.555 13.985 1.00 0.00 ATOM 143 CD GLU 19 12.529 16.814 13.551 1.00 0.00 ATOM 144 OE1 GLU 19 11.441 17.426 13.538 1.00 0.00 ATOM 145 OE2 GLU 19 12.633 15.615 13.223 1.00 0.00 ATOM 146 O GLU 19 11.404 18.619 17.575 1.00 0.00 ATOM 147 C GLU 19 12.442 19.052 17.072 1.00 0.00 ATOM 148 N MET 20 13.444 19.542 17.796 1.00 0.00 ATOM 149 CA MET 20 13.367 19.598 19.249 1.00 0.00 ATOM 150 CB MET 20 14.618 20.271 19.816 1.00 0.00 ATOM 151 CG MET 20 15.885 19.457 19.625 1.00 0.00 ATOM 152 SD MET 20 17.350 20.322 20.217 1.00 0.00 ATOM 153 CE MET 20 17.242 19.991 21.964 1.00 0.00 ATOM 154 O MET 20 11.497 20.024 20.687 1.00 0.00 ATOM 155 C MET 20 12.186 20.421 19.747 1.00 0.00 ATOM 156 N LEU 21 11.953 21.568 19.117 1.00 0.00 ATOM 157 CA LEU 21 10.848 22.435 19.508 1.00 0.00 ATOM 158 CB LEU 21 10.906 23.753 18.733 1.00 0.00 ATOM 159 CG LEU 21 9.780 24.751 19.008 1.00 0.00 ATOM 160 CD1 LEU 21 9.789 25.183 20.466 1.00 0.00 ATOM 161 CD2 LEU 21 9.938 25.992 18.144 1.00 0.00 ATOM 162 O LEU 21 8.603 21.790 20.060 1.00 0.00 ATOM 163 C LEU 21 9.503 21.776 19.219 1.00 0.00 ATOM 164 N ILE 22 9.367 21.200 18.029 1.00 0.00 ATOM 165 CA ILE 22 8.127 20.540 17.648 1.00 0.00 ATOM 166 CB ILE 22 8.295 19.955 16.210 1.00 0.00 ATOM 167 CG1 ILE 22 8.232 21.105 15.194 1.00 0.00 ATOM 168 CG2 ILE 22 7.194 18.903 15.912 1.00 0.00 ATOM 169 CD1 ILE 22 8.676 20.716 13.766 1.00 0.00 ATOM 170 O ILE 22 6.637 19.314 19.075 1.00 0.00 ATOM 171 C ILE 22 7.775 19.416 18.616 1.00 0.00 ATOM 172 N ILE 23 8.754 18.570 18.925 1.00 0.00 ATOM 173 CA ILE 23 8.532 17.462 19.841 1.00 0.00 ATOM 174 CB ILE 23 9.383 16.228 19.489 1.00 0.00 ATOM 175 CG1 ILE 23 10.871 16.543 19.650 1.00 0.00 ATOM 176 CG2 ILE 23 9.134 15.802 18.049 1.00 0.00 ATOM 177 CD1 ILE 23 11.769 15.330 19.527 1.00 0.00 ATOM 178 O ILE 23 8.540 17.053 22.191 1.00 0.00 ATOM 179 C ILE 23 8.821 17.847 21.276 1.00 0.00 ATOM 180 N GLU 24 9.290 19.024 21.405 1.00 0.00 ATOM 181 CA GLU 24 9.607 19.542 22.731 1.00 0.00 ATOM 182 CB GLU 24 8.382 19.558 23.647 1.00 0.00 ATOM 183 CG GLU 24 7.266 20.474 23.172 1.00 0.00 ATOM 184 CD GLU 24 6.081 20.485 24.118 1.00 0.00 ATOM 185 OE1 GLU 24 6.107 19.730 25.113 1.00 0.00 ATOM 186 OE2 GLU 24 5.126 21.249 23.865 1.00 0.00 ATOM 187 O GLU 24 10.666 18.466 24.594 1.00 0.00 ATOM 188 C GLU 24 10.685 18.686 23.382 1.00 0.00 ATOM 189 N ASN 25 11.627 18.204 22.577 1.00 0.00 ATOM 190 CA ASN 25 12.710 17.375 23.093 1.00 0.00 ATOM 191 CB ASN 25 13.457 16.704 21.938 1.00 0.00 ATOM 192 CG ASN 25 14.386 15.602 22.406 1.00 0.00 ATOM 193 ND2 ASN 25 15.676 15.760 22.133 1.00 0.00 ATOM 194 OD1 ASN 25 13.947 14.620 23.008 1.00 0.00 ATOM 195 O ASN 25 14.446 17.647 24.716 1.00 0.00 ATOM 196 C ASN 25 13.713 18.192 23.894 1.00 0.00 ATOM 197 N PHE 26 13.744 19.505 23.653 1.00 0.00 ATOM 198 CA PHE 26 14.654 20.390 24.350 1.00 0.00 ATOM 199 CB PHE 26 14.554 21.739 23.501 1.00 0.00 ATOM 200 CG PHE 26 15.603 22.789 23.314 1.00 0.00 ATOM 201 CD1 PHE 26 16.215 23.421 24.373 1.00 0.00 ATOM 202 CD2 PHE 26 15.994 23.180 22.041 1.00 0.00 ATOM 203 CE1 PHE 26 17.171 24.394 24.195 1.00 0.00 ATOM 204 CE2 PHE 26 16.939 24.165 21.835 1.00 0.00 ATOM 205 CZ PHE 26 17.531 24.788 22.921 1.00 0.00 ATOM 206 O PHE 26 15.366 20.572 26.634 1.00 0.00 ATOM 207 C PHE 26 14.430 20.371 25.858 1.00 0.00 ATOM 208 N GLU 27 13.192 20.128 26.277 1.00 0.00 ATOM 209 CA GLU 27 12.860 20.083 27.688 1.00 0.00 ATOM 210 CB GLU 27 11.339 19.341 27.736 1.00 0.00 ATOM 211 CG GLU 27 10.041 19.992 27.394 1.00 0.00 ATOM 212 CD GLU 27 8.911 18.974 27.482 1.00 0.00 ATOM 213 OE1 GLU 27 8.700 18.271 26.495 1.00 0.00 ATOM 214 OE2 GLU 27 8.232 18.897 28.518 1.00 0.00 ATOM 215 O GLU 27 14.061 19.068 29.500 1.00 0.00 ATOM 216 C GLU 27 13.651 18.957 28.344 1.00 0.00 ATOM 217 N GLU 28 13.868 17.873 27.603 1.00 0.00 ATOM 218 CA GLU 28 14.614 16.739 28.128 1.00 0.00 ATOM 219 CB GLU 28 14.676 15.620 27.128 1.00 0.00 ATOM 220 CG GLU 28 15.561 14.426 27.497 1.00 0.00 ATOM 221 CD GLU 28 15.131 13.746 28.783 1.00 0.00 ATOM 222 OE1 GLU 28 13.965 13.899 29.176 1.00 0.00 ATOM 223 OE2 GLU 28 15.956 13.051 29.390 1.00 0.00 ATOM 224 O GLU 28 16.577 16.892 29.498 1.00 0.00 ATOM 225 C GLU 28 16.066 17.117 28.400 1.00 0.00 ATOM 226 N ILE 29 16.727 17.691 27.400 1.00 0.00 ATOM 227 CA ILE 29 18.118 18.096 27.551 1.00 0.00 ATOM 228 CB ILE 29 18.610 18.799 26.272 1.00 0.00 ATOM 229 CG1 ILE 29 18.571 17.835 25.085 1.00 0.00 ATOM 230 CG2 ILE 29 20.040 19.287 26.448 1.00 0.00 ATOM 231 CD1 ILE 29 19.420 16.597 25.274 1.00 0.00 ATOM 232 O ILE 29 19.370 19.069 29.351 1.00 0.00 ATOM 233 C ILE 29 18.328 19.083 28.694 1.00 0.00 ATOM 234 N VAL 30 17.337 19.936 28.932 1.00 0.00 ATOM 235 CA VAL 30 17.429 20.920 30.001 1.00 0.00 ATOM 236 CB VAL 30 16.227 21.881 29.967 1.00 0.00 ATOM 237 CG1 VAL 30 16.240 22.793 31.186 1.00 0.00 ATOM 238 CG2 VAL 30 16.274 22.747 28.718 1.00 0.00 ATOM 239 O VAL 30 18.055 20.727 32.308 1.00 0.00 ATOM 240 C VAL 30 17.425 20.244 31.366 1.00 0.00 ATOM 241 N LYS 31 16.714 19.124 31.472 1.00 0.00 ATOM 242 CA LYS 31 16.641 18.393 32.732 1.00 0.00 ATOM 243 CB LYS 31 15.689 17.201 32.616 1.00 0.00 ATOM 244 CG LYS 31 14.222 17.587 32.517 1.00 0.00 ATOM 245 CD LYS 31 13.334 16.359 32.407 1.00 0.00 ATOM 246 CE LYS 31 11.869 16.744 32.284 1.00 0.00 ATOM 247 NZ LYS 31 10.991 15.551 32.141 1.00 0.00 ATOM 248 O LYS 31 18.414 17.932 34.282 1.00 0.00 ATOM 249 C LYS 31 18.022 17.872 33.116 1.00 0.00 ATOM 250 N ASP 32 18.758 17.362 32.134 1.00 0.00 ATOM 251 CA ASP 32 20.094 16.839 32.387 1.00 0.00 ATOM 252 CB ASP 32 20.300 15.562 31.570 1.00 0.00 ATOM 253 CG ASP 32 19.553 14.374 32.146 1.00 0.00 ATOM 254 OD1 ASP 32 19.621 14.170 33.377 1.00 0.00 ATOM 255 OD2 ASP 32 18.898 13.648 31.367 1.00 0.00 ATOM 256 O ASP 32 21.579 17.899 30.831 1.00 0.00 ATOM 257 C ASP 32 21.169 17.842 31.991 1.00 0.00 ATOM 258 N ARG 33 21.628 18.632 32.957 1.00 0.00 ATOM 259 CA ARG 33 22.660 19.627 32.692 1.00 0.00 ATOM 260 CB ARG 33 22.760 20.617 33.872 1.00 0.00 ATOM 261 CG ARG 33 23.659 21.815 33.632 1.00 0.00 ATOM 262 CD ARG 33 23.798 22.676 34.894 1.00 0.00 ATOM 263 NE ARG 33 24.628 22.000 35.891 1.00 0.00 ATOM 264 CZ ARG 33 25.964 22.062 35.872 1.00 0.00 ATOM 265 NH1 ARG 33 26.688 21.422 36.769 1.00 0.00 ATOM 266 NH2 ARG 33 26.566 22.794 34.943 1.00 0.00 ATOM 267 O ARG 33 24.719 19.343 31.494 1.00 0.00 ATOM 268 C ARG 33 24.005 18.960 32.421 1.00 0.00 ATOM 269 N GLU 34 24.347 17.964 33.232 1.00 0.00 ATOM 270 CA GLU 34 25.607 17.254 33.063 1.00 0.00 ATOM 271 CB GLU 34 25.705 16.105 34.068 1.00 0.00 ATOM 272 CG GLU 34 27.012 15.332 34.002 1.00 0.00 ATOM 273 CD GLU 34 27.086 14.224 35.034 1.00 0.00 ATOM 274 OE1 GLU 34 26.120 14.068 35.809 1.00 0.00 ATOM 275 OE2 GLU 34 28.111 13.511 35.067 1.00 0.00 ATOM 276 O GLU 34 26.718 16.872 30.973 1.00 0.00 ATOM 277 C GLU 34 25.709 16.686 31.654 1.00 0.00 ATOM 278 N ARG 35 24.661 15.994 31.217 1.00 0.00 ATOM 279 CA ARG 35 24.648 15.406 29.882 1.00 0.00 ATOM 280 CB ARG 35 23.391 14.528 29.703 1.00 0.00 ATOM 281 CG ARG 35 23.266 13.915 28.303 1.00 0.00 ATOM 282 CD ARG 35 22.176 12.853 28.257 1.00 0.00 ATOM 283 NE ARG 35 20.845 13.388 28.535 1.00 0.00 ATOM 284 CZ ARG 35 20.117 14.085 27.668 1.00 0.00 ATOM 285 NH1 ARG 35 20.585 14.341 26.453 1.00 0.00 ATOM 286 NH2 ARG 35 18.911 14.521 28.013 1.00 0.00 ATOM 287 O ARG 35 25.427 16.387 27.835 1.00 0.00 ATOM 288 C ARG 35 24.718 16.513 28.834 1.00 0.00 ATOM 289 N PHE 36 23.983 17.596 29.064 1.00 0.00 ATOM 290 CA PHE 36 23.975 18.714 28.132 1.00 0.00 ATOM 291 CB PHE 36 22.931 19.731 28.609 1.00 0.00 ATOM 292 CG PHE 36 22.716 20.902 27.684 1.00 0.00 ATOM 293 CD1 PHE 36 22.776 20.757 26.299 1.00 0.00 ATOM 294 CD2 PHE 36 22.383 22.149 28.212 1.00 0.00 ATOM 295 CE1 PHE 36 22.505 21.844 25.458 1.00 0.00 ATOM 296 CE2 PHE 36 22.111 23.233 27.383 1.00 0.00 ATOM 297 CZ PHE 36 22.169 23.082 26.006 1.00 0.00 ATOM 298 O PHE 36 25.882 19.590 26.972 1.00 0.00 ATOM 299 C PHE 36 25.367 19.328 28.059 1.00 0.00 ATOM 300 N LEU 37 25.977 19.556 29.219 1.00 0.00 ATOM 301 CA LEU 37 27.313 20.137 29.269 1.00 0.00 ATOM 302 CB LEU 37 27.639 20.458 30.709 1.00 0.00 ATOM 303 CG LEU 37 29.057 20.940 31.000 1.00 0.00 ATOM 304 CD1 LEU 37 29.376 22.303 30.459 1.00 0.00 ATOM 305 CD2 LEU 37 29.203 20.820 32.528 1.00 0.00 ATOM 306 O LEU 37 29.135 19.637 27.774 1.00 0.00 ATOM 307 C LEU 37 28.270 19.189 28.527 1.00 0.00 ATOM 308 N ALA 38 28.108 17.887 28.744 1.00 0.00 ATOM 309 CA ALA 38 28.959 16.900 28.090 1.00 0.00 ATOM 310 CB ALA 38 28.502 15.542 28.569 1.00 0.00 ATOM 311 O ALA 38 29.875 17.100 25.895 1.00 0.00 ATOM 312 C ALA 38 28.863 16.987 26.588 1.00 0.00 ATOM 313 N GLN 39 27.638 16.935 26.072 1.00 0.00 ATOM 314 CA GLN 39 27.421 17.013 24.633 1.00 0.00 ATOM 315 CB GLN 39 25.936 16.732 24.384 1.00 0.00 ATOM 316 CG GLN 39 25.543 15.274 24.542 1.00 0.00 ATOM 317 CD GLN 39 24.048 15.058 24.401 1.00 0.00 ATOM 318 OE1 GLN 39 23.282 16.012 24.232 1.00 0.00 ATOM 319 NE2 GLN 39 23.623 13.803 24.473 1.00 0.00 ATOM 320 O GLN 39 28.202 18.499 22.919 1.00 0.00 ATOM 321 C GLN 39 27.791 18.383 24.074 1.00 0.00 ATOM 322 N VAL 40 27.645 19.418 24.895 1.00 0.00 ATOM 323 CA VAL 40 27.970 20.770 24.467 1.00 0.00 ATOM 324 CB VAL 40 27.439 21.815 25.468 1.00 0.00 ATOM 325 CG1 VAL 40 27.968 23.199 25.125 1.00 0.00 ATOM 326 CG2 VAL 40 25.918 21.814 25.480 1.00 0.00 ATOM 327 O VAL 40 29.940 21.627 23.404 1.00 0.00 ATOM 328 C VAL 40 29.476 20.939 24.314 1.00 0.00 ATOM 329 N GLU 41 30.237 20.311 25.203 1.00 0.00 ATOM 330 CA GLU 41 31.693 20.399 25.150 1.00 0.00 ATOM 331 CB GLU 41 32.315 19.505 26.223 1.00 0.00 ATOM 332 CG GLU 41 32.371 20.132 27.610 1.00 0.00 ATOM 333 CD GLU 41 32.824 19.139 28.641 1.00 0.00 ATOM 334 OE1 GLU 41 33.893 18.596 28.488 1.00 0.00 ATOM 335 OE2 GLU 41 32.158 19.003 29.640 1.00 0.00 ATOM 336 O GLU 41 32.750 20.755 23.026 1.00 0.00 ATOM 337 C GLU 41 32.177 19.961 23.772 1.00 0.00 ATOM 338 N GLU 42 31.945 18.695 23.436 1.00 0.00 ATOM 339 CA GLU 42 32.363 18.169 22.143 1.00 0.00 ATOM 340 CB GLU 42 31.924 16.712 21.987 1.00 0.00 ATOM 341 CG GLU 42 32.368 16.058 20.688 1.00 0.00 ATOM 342 CD GLU 42 31.990 14.603 20.651 1.00 0.00 ATOM 343 OE1 GLU 42 31.444 14.126 21.618 1.00 0.00 ATOM 344 OE2 GLU 42 32.143 13.995 19.618 1.00 0.00 ATOM 345 O GLU 42 32.392 19.124 19.956 1.00 0.00 ATOM 346 C GLU 42 31.797 18.982 21.000 1.00 0.00 ATOM 347 N PHE 43 30.554 19.474 21.179 1.00 0.00 ATOM 348 CA PHE 43 29.906 20.234 20.148 1.00 0.00 ATOM 349 CB PHE 43 28.488 20.613 20.581 1.00 0.00 ATOM 350 CG PHE 43 27.812 21.583 19.654 1.00 0.00 ATOM 351 CD1 PHE 43 27.287 21.157 18.443 1.00 0.00 ATOM 352 CD2 PHE 43 27.699 22.922 19.992 1.00 0.00 ATOM 353 CE1 PHE 43 26.665 22.049 17.590 1.00 0.00 ATOM 354 CE2 PHE 43 27.076 23.816 19.142 1.00 0.00 ATOM 355 CZ PHE 43 26.559 23.377 17.939 1.00 0.00 ATOM 356 O PHE 43 31.002 21.871 18.752 1.00 0.00 ATOM 357 C PHE 43 30.670 21.541 19.900 1.00 0.00 ATOM 358 N VAL 44 31.011 22.332 20.939 1.00 0.00 ATOM 359 CA VAL 44 31.729 23.607 20.753 1.00 0.00 ATOM 360 CB VAL 44 31.568 24.475 22.015 1.00 0.00 ATOM 361 CG1 VAL 44 30.097 24.672 22.342 1.00 0.00 ATOM 362 CG2 VAL 44 32.295 23.842 23.193 1.00 0.00 ATOM 363 O VAL 44 33.860 24.336 19.926 1.00 0.00 ATOM 364 C VAL 44 33.212 23.432 20.454 1.00 0.00 ATOM 365 N PHE 45 33.746 22.264 20.795 1.00 0.00 ATOM 366 CA PHE 45 35.128 21.929 20.472 1.00 0.00 ATOM 367 CB PHE 45 35.608 20.756 21.328 1.00 0.00 ATOM 368 CG PHE 45 35.684 21.069 22.796 1.00 0.00 ATOM 369 CD1 PHE 45 35.662 22.382 23.242 1.00 0.00 ATOM 370 CD2 PHE 45 35.777 20.051 23.733 1.00 0.00 ATOM 371 CE1 PHE 45 35.732 22.670 24.591 1.00 0.00 ATOM 372 CE2 PHE 45 35.846 20.336 25.082 1.00 0.00 ATOM 373 CZ PHE 45 35.824 21.648 25.511 1.00 0.00 ATOM 374 O PHE 45 36.296 21.864 18.377 1.00 0.00 ATOM 375 C PHE 45 35.257 21.604 18.987 1.00 0.00 ATOM 376 N LYS 46 34.204 21.036 18.410 1.00 0.00 ATOM 377 CA LYS 46 34.217 20.685 16.995 1.00 0.00 ATOM 378 CB LYS 46 33.669 19.269 16.814 1.00 0.00 ATOM 379 CG LYS 46 34.544 18.174 17.411 1.00 0.00 ATOM 380 CD LYS 46 33.943 16.797 17.178 1.00 0.00 ATOM 381 CE LYS 46 34.873 15.695 17.667 1.00 0.00 ATOM 382 NZ LYS 46 34.266 14.345 17.514 1.00 0.00 ATOM 383 O LYS 46 33.386 21.593 14.940 1.00 0.00 ATOM 384 C LYS 46 33.441 21.696 16.166 1.00 0.00 ATOM 385 N CYS 47 32.841 22.676 16.834 1.00 0.00 ATOM 386 CA CYS 47 32.072 23.703 16.140 1.00 0.00 ATOM 387 CB CYS 47 30.631 23.192 16.107 1.00 0.00 ATOM 388 SG CYS 47 29.525 24.135 15.032 1.00 0.00 ATOM 389 O CYS 47 31.160 25.571 17.358 1.00 0.00 ATOM 390 C CYS 47 32.157 25.047 16.857 1.00 0.00 ATOM 391 N PRO 48 33.364 25.604 16.924 1.00 0.00 ATOM 392 CA PRO 48 33.553 26.892 17.593 1.00 0.00 ATOM 393 CB PRO 48 35.047 27.178 17.392 1.00 0.00 ATOM 394 CG PRO 48 35.405 26.389 16.160 1.00 0.00 ATOM 395 CD PRO 48 34.633 25.112 16.356 1.00 0.00 ATOM 396 O PRO 48 32.423 29.002 17.716 1.00 0.00 ATOM 397 C PRO 48 32.693 28.014 17.031 1.00 0.00 ATOM 398 N VAL 49 32.260 27.865 15.783 1.00 0.00 ATOM 399 CA VAL 49 31.429 28.875 15.145 1.00 0.00 ATOM 400 CB VAL 49 30.997 28.503 13.741 1.00 0.00 ATOM 401 CG1 VAL 49 32.233 28.196 12.912 1.00 0.00 ATOM 402 CG2 VAL 49 30.044 27.324 13.753 1.00 0.00 ATOM 403 O VAL 49 29.798 30.360 16.082 1.00 0.00 ATOM 404 C VAL 49 30.159 29.193 15.919 1.00 0.00 ATOM 405 N CYS 50 29.480 28.155 16.398 1.00 0.00 ATOM 406 CA CYS 50 28.249 28.343 17.158 1.00 0.00 ATOM 407 CB CYS 50 27.504 27.022 16.964 1.00 0.00 ATOM 408 SG CYS 50 26.996 26.690 15.261 1.00 0.00 ATOM 409 O CYS 50 27.821 29.271 19.328 1.00 0.00 ATOM 410 C CYS 50 28.547 28.554 18.639 1.00 0.00 ATOM 411 N GLY 51 29.614 27.930 19.125 1.00 0.00 ATOM 412 CA GLY 51 29.994 28.062 20.524 1.00 0.00 ATOM 413 O GLY 51 30.093 30.078 21.852 1.00 0.00 ATOM 414 C GLY 51 30.453 29.510 20.820 1.00 0.00 ATOM 415 N GLU 52 31.238 30.088 19.917 1.00 0.00 ATOM 416 CA GLU 52 31.724 31.451 20.097 1.00 0.00 ATOM 417 CB GLU 52 32.653 31.836 18.944 1.00 0.00 ATOM 418 CG GLU 52 33.228 33.242 19.043 1.00 0.00 ATOM 419 CD GLU 52 34.149 33.538 17.891 1.00 0.00 ATOM 420 OE1 GLU 52 34.362 32.663 17.087 1.00 0.00 ATOM 421 OE2 GLU 52 34.548 34.669 17.752 1.00 0.00 ATOM 422 O GLU 52 30.485 33.202 21.173 1.00 0.00 ATOM 423 C GLU 52 30.558 32.426 20.219 1.00 0.00 ATOM 424 N GLU 53 29.648 32.387 19.250 1.00 0.00 ATOM 425 CA GLU 53 28.492 33.272 19.265 1.00 0.00 ATOM 426 CB GLU 53 27.688 33.127 17.964 1.00 0.00 ATOM 427 CG GLU 53 28.268 33.880 16.777 1.00 0.00 ATOM 428 CD GLU 53 27.459 33.678 15.507 1.00 0.00 ATOM 429 OE1 GLU 53 26.212 33.649 15.595 1.00 0.00 ATOM 430 OE2 GLU 53 28.069 33.564 14.420 1.00 0.00 ATOM 431 O GLU 53 27.135 33.822 21.171 1.00 0.00 ATOM 432 C GLU 53 27.595 32.930 20.457 1.00 0.00 ATOM 433 N PHE 54 27.352 31.640 20.667 1.00 0.00 ATOM 434 CA PHE 54 26.512 31.201 21.776 1.00 0.00 ATOM 435 CB PHE 54 26.508 29.649 21.868 1.00 0.00 ATOM 436 CG PHE 54 25.603 28.939 20.898 1.00 0.00 ATOM 437 CD1 PHE 54 24.682 29.618 20.111 1.00 0.00 ATOM 438 CD2 PHE 54 25.661 27.550 20.815 1.00 0.00 ATOM 439 CE1 PHE 54 23.826 28.921 19.253 1.00 0.00 ATOM 440 CE2 PHE 54 24.819 26.845 19.968 1.00 0.00 ATOM 441 CZ PHE 54 23.898 27.528 19.184 1.00 0.00 ATOM 442 O PHE 54 26.137 32.179 23.933 1.00 0.00 ATOM 443 C PHE 54 26.964 31.814 23.096 1.00 0.00 ATOM 444 N TYR 55 28.275 31.928 23.282 1.00 0.00 ATOM 445 CA TYR 55 28.784 32.482 24.468 1.00 0.00 ATOM 446 CB TYR 55 30.310 32.361 24.493 1.00 0.00 ATOM 447 CG TYR 55 30.813 30.936 24.404 1.00 0.00 ATOM 448 CD1 TYR 55 29.996 29.870 24.750 1.00 0.00 ATOM 449 CD2 TYR 55 32.104 30.664 23.975 1.00 0.00 ATOM 450 CE1 TYR 55 30.451 28.568 24.671 1.00 0.00 ATOM 451 CE2 TYR 55 32.569 29.368 23.891 1.00 0.00 ATOM 452 CZ TYR 55 31.740 28.321 24.240 1.00 0.00 ATOM 453 OH TYR 55 32.198 27.026 24.159 1.00 0.00 ATOM 454 O TYR 55 27.968 34.378 25.703 1.00 0.00 ATOM 455 C TYR 55 28.421 33.957 24.635 1.00 0.00 ATOM 456 N GLY 56 28.589 34.738 23.600 1.00 0.00 ATOM 457 CA GLY 56 28.200 36.137 23.615 1.00 0.00 ATOM 458 O GLY 56 26.313 37.592 23.896 1.00 0.00 ATOM 459 C GLY 56 26.715 36.478 23.559 1.00 0.00 ATOM 460 N LYS 57 25.901 35.517 23.134 1.00 0.00 ATOM 461 CA LYS 57 24.463 35.730 23.043 1.00 0.00 ATOM 462 CB LYS 57 23.862 34.823 21.968 1.00 0.00 ATOM 463 CG LYS 57 24.269 35.181 20.545 1.00 0.00 ATOM 464 CD LYS 57 23.716 36.537 20.135 1.00 0.00 ATOM 465 CE LYS 57 24.010 36.836 18.672 1.00 0.00 ATOM 466 NZ LYS 57 23.525 38.185 18.271 1.00 0.00 ATOM 467 O LYS 57 22.619 35.860 24.573 1.00 0.00 ATOM 468 C LYS 57 23.760 35.443 24.365 1.00 0.00 ATOM 469 N THR 58 24.441 34.735 25.259 1.00 0.00 ATOM 470 CA THR 58 23.870 34.408 26.556 1.00 0.00 ATOM 471 CB THR 58 23.995 32.897 26.821 1.00 0.00 ATOM 472 CG2 THR 58 23.281 32.104 25.738 1.00 0.00 ATOM 473 OG1 THR 58 25.381 32.527 26.843 1.00 0.00 ATOM 474 O THR 58 23.965 35.314 28.775 1.00 0.00 ATOM 475 C THR 58 24.544 35.154 27.700 1.00 0.00 ATOM 476 N LEU 59 25.772 35.610 27.468 1.00 0.00 ATOM 477 CA LEU 59 26.512 36.341 28.490 1.00 0.00 ATOM 478 CB LEU 59 27.967 35.856 28.558 1.00 0.00 ATOM 479 CG LEU 59 28.150 34.403 29.010 1.00 0.00 ATOM 480 CD1 LEU 59 29.613 33.997 28.884 1.00 0.00 ATOM 481 CD2 LEU 59 27.671 34.251 30.445 1.00 0.00 ATOM 482 O LEU 59 26.544 38.272 27.068 1.00 0.00 ATOM 483 C LEU 59 26.464 37.838 28.217 1.00 0.00 ATOM 484 N PRO 60 26.333 38.624 29.280 1.00 0.00 ATOM 485 CA PRO 60 26.413 40.076 29.173 1.00 0.00 ATOM 486 CB PRO 60 25.944 40.579 30.541 1.00 0.00 ATOM 487 CG PRO 60 26.322 39.489 31.487 1.00 0.00 ATOM 488 CD PRO 60 26.140 38.209 30.715 1.00 0.00 ATOM 489 O PRO 60 28.771 39.733 28.887 1.00 0.00 ATOM 490 C PRO 60 27.831 40.529 28.852 1.00 0.00 ATOM 491 N ARG 61 27.988 41.777 28.542 1.00 0.00 ATOM 492 CA ARG 61 29.270 42.362 28.167 1.00 0.00 ATOM 493 CB ARG 61 29.138 43.821 27.759 1.00 0.00 ATOM 494 CG ARG 61 28.437 44.054 26.430 1.00 0.00 ATOM 495 CD ARG 61 28.246 45.485 26.080 1.00 0.00 ATOM 496 NE ARG 61 27.552 45.711 24.822 1.00 0.00 ATOM 497 CZ ARG 61 27.177 46.919 24.361 1.00 0.00 ATOM 498 NH1 ARG 61 27.389 48.008 25.066 1.00 0.00 ATOM 499 NH2 ARG 61 26.565 46.979 23.192 1.00 0.00 ATOM 500 O ARG 61 31.465 41.820 28.968 1.00 0.00 ATOM 501 C ARG 61 30.303 42.103 29.259 1.00 0.00 ATOM 502 N ARG 62 29.877 42.200 30.514 1.00 0.00 ATOM 503 CA ARG 62 30.776 41.974 31.632 1.00 0.00 ATOM 504 CB ARG 62 30.089 42.257 32.960 1.00 0.00 ATOM 505 CG ARG 62 30.986 42.138 34.182 1.00 0.00 ATOM 506 CD ARG 62 30.325 42.498 35.464 1.00 0.00 ATOM 507 NE ARG 62 31.174 42.366 36.636 1.00 0.00 ATOM 508 CZ ARG 62 30.771 42.591 37.901 1.00 0.00 ATOM 509 NH1 ARG 62 29.547 42.993 38.161 1.00 0.00 ATOM 510 NH2 ARG 62 31.647 42.418 38.876 1.00 0.00 ATOM 511 O ARG 62 32.614 40.442 31.775 1.00 0.00 ATOM 512 C ARG 62 31.403 40.588 31.605 1.00 0.00 ATOM 513 N GLU 63 30.577 39.567 31.396 1.00 0.00 ATOM 514 CA GLU 63 31.068 38.195 31.347 1.00 0.00 ATOM 515 CB GLU 63 29.973 37.254 31.856 1.00 0.00 ATOM 516 CG GLU 63 29.448 37.593 33.244 1.00 0.00 ATOM 517 CD GLU 63 30.559 37.622 34.256 1.00 0.00 ATOM 518 OE1 GLU 63 31.267 36.649 34.361 1.00 0.00 ATOM 519 OE2 GLU 63 30.772 38.654 34.845 1.00 0.00 ATOM 520 O GLU 63 32.313 36.786 29.865 1.00 0.00 ATOM 521 C GLU 63 31.570 37.761 29.976 1.00 0.00 ATOM 522 N ALA 64 31.316 38.656 29.107 1.00 0.00 ATOM 523 CA ALA 64 31.796 38.346 27.766 1.00 0.00 ATOM 524 CB ALA 64 30.925 39.041 26.730 1.00 0.00 ATOM 525 O ALA 64 34.041 38.019 26.989 1.00 0.00 ATOM 526 C ALA 64 33.272 38.711 27.656 1.00 0.00 ATOM 527 N GLU 65 33.666 39.798 28.312 1.00 0.00 ATOM 528 CA GLU 65 35.054 40.238 28.277 1.00 0.00 ATOM 529 CB GLU 65 35.213 41.538 29.068 1.00 0.00 ATOM 530 CG GLU 65 34.606 42.762 28.395 1.00 0.00 ATOM 531 CD GLU 65 34.673 43.968 29.291 1.00 0.00 ATOM 532 OE1 GLU 65 35.108 43.829 30.410 1.00 0.00 ATOM 533 OE2 GLU 65 34.393 45.046 28.824 1.00 0.00 ATOM 534 O GLU 65 37.114 39.017 28.338 1.00 0.00 ATOM 535 C GLU 65 35.983 39.155 28.804 1.00 0.00 ATOM 536 N LYS 66 35.507 38.384 29.783 1.00 0.00 ATOM 537 CA LYS 66 36.308 37.310 30.361 1.00 0.00 ATOM 538 CB LYS 66 35.599 36.678 31.560 1.00 0.00 ATOM 539 CG LYS 66 35.552 37.560 32.801 1.00 0.00 ATOM 540 CD LYS 66 34.801 36.878 33.935 1.00 0.00 ATOM 541 CE LYS 66 34.626 37.813 35.124 1.00 0.00 ATOM 542 NZ LYS 66 33.774 37.209 36.185 1.00 0.00 ATOM 543 O LYS 66 37.643 35.708 29.177 1.00 0.00 ATOM 544 C LYS 66 36.549 36.264 29.283 1.00 0.00 ATOM 545 N VAL 67 35.522 35.995 28.483 1.00 0.00 ATOM 546 CA VAL 67 35.644 35.072 27.362 1.00 0.00 ATOM 547 CB VAL 67 34.269 34.732 26.758 1.00 0.00 ATOM 548 CG1 VAL 67 34.435 33.972 25.450 1.00 0.00 ATOM 549 CG2 VAL 67 33.439 33.923 27.742 1.00 0.00 ATOM 550 O VAL 67 37.339 34.938 25.673 1.00 0.00 ATOM 551 C VAL 67 36.517 35.646 26.255 1.00 0.00 ATOM 552 N PHE 68 36.354 36.937 25.980 1.00 0.00 ATOM 553 CA PHE 68 37.155 37.598 24.957 1.00 0.00 ATOM 554 CB PHE 68 36.701 39.049 24.789 1.00 0.00 ATOM 555 CG PHE 68 35.296 39.188 24.277 1.00 0.00 ATOM 556 CD1 PHE 68 34.638 38.107 23.710 1.00 0.00 ATOM 557 CD2 PHE 68 34.628 40.401 24.360 1.00 0.00 ATOM 558 CE1 PHE 68 33.344 38.235 23.238 1.00 0.00 ATOM 559 CE2 PHE 68 33.336 40.531 23.891 1.00 0.00 ATOM 560 CZ PHE 68 32.694 39.445 23.328 1.00 0.00 ATOM 561 O PHE 68 39.480 37.388 24.402 1.00 0.00 ATOM 562 C PHE 68 38.642 37.546 25.291 1.00 0.00 ATOM 563 N GLU 69 38.967 37.679 26.573 1.00 0.00 ATOM 564 CA GLU 69 40.357 37.643 27.006 1.00 0.00 ATOM 565 CB GLU 69 40.502 38.116 28.443 1.00 0.00 ATOM 566 CG GLU 69 40.247 39.607 28.630 1.00 0.00 ATOM 567 CD GLU 69 41.116 40.474 27.732 1.00 0.00 ATOM 568 OE1 GLU 69 42.340 40.225 27.661 1.00 0.00 ATOM 569 OE2 GLU 69 40.576 41.410 27.105 1.00 0.00 ATOM 570 O GLU 69 42.044 36.055 26.378 1.00 0.00 ATOM 571 C GLU 69 40.917 36.231 26.837 1.00 0.00 ATOM 572 N LEU 70 40.124 35.227 27.204 1.00 0.00 ATOM 573 CA LEU 70 40.573 33.847 27.073 1.00 0.00 ATOM 574 CB LEU 70 39.642 32.951 27.898 1.00 0.00 ATOM 575 CG LEU 70 39.680 33.189 29.413 1.00 0.00 ATOM 576 CD1 LEU 70 38.664 32.292 30.108 1.00 0.00 ATOM 577 CD2 LEU 70 41.083 32.921 29.935 1.00 0.00 ATOM 578 O LEU 70 41.592 32.717 25.210 1.00 0.00 ATOM 579 C LEU 70 40.714 33.489 25.595 1.00 0.00 ATOM 580 N LEU 71 39.830 34.044 24.764 1.00 0.00 ATOM 581 CA LEU 71 39.900 33.776 23.336 1.00 0.00 ATOM 582 CB LEU 71 38.530 34.252 22.722 1.00 0.00 ATOM 583 CG LEU 71 38.429 34.187 21.190 1.00 0.00 ATOM 584 CD1 LEU 71 38.516 32.762 20.674 1.00 0.00 ATOM 585 CD2 LEU 71 37.149 34.841 20.736 1.00 0.00 ATOM 586 O LEU 71 41.755 33.796 21.814 1.00 0.00 ATOM 587 C LEU 71 41.189 34.348 22.756 1.00 0.00 ATOM 588 N ASN 72 41.654 35.467 23.338 1.00 0.00 ATOM 589 CA ASN 72 42.884 36.082 22.865 1.00 0.00 ATOM 590 CB ASN 72 43.113 37.413 23.556 1.00 0.00 ATOM 591 CG ASN 72 42.209 38.512 23.066 1.00 0.00 ATOM 592 ND2 ASN 72 42.121 39.560 23.846 1.00 0.00 ATOM 593 OD1 ASN 72 41.656 38.444 21.963 1.00 0.00 ATOM 594 O ASN 72 44.989 35.102 22.263 1.00 0.00 ATOM 595 C ASN 72 44.077 35.161 23.088 1.00 0.00 ATOM 596 N ASP 73 44.065 34.446 24.206 1.00 0.00 ATOM 597 CA ASP 73 45.094 33.455 24.493 1.00 0.00 ATOM 598 CB ASP 73 45.106 33.108 25.984 1.00 0.00 ATOM 599 CG ASP 73 45.659 34.208 26.882 1.00 0.00 ATOM 600 OD1 ASP 73 46.247 35.128 26.365 1.00 0.00 ATOM 601 OD2 ASP 73 45.356 34.201 28.051 1.00 0.00 ATOM 602 O ASP 73 45.804 31.688 23.051 1.00 0.00 ATOM 603 C ASP 73 44.865 32.235 23.631 1.00 0.00 ATOM 604 N PHE 74 43.612 31.801 23.545 1.00 0.00 ATOM 605 CA PHE 74 43.271 30.634 22.739 1.00 0.00 ATOM 606 CB PHE 74 41.745 30.447 22.713 1.00 0.00 ATOM 607 CG PHE 74 41.279 29.294 21.945 1.00 0.00 ATOM 608 CD1 PHE 74 41.127 28.052 22.539 1.00 0.00 ATOM 609 CD2 PHE 74 40.953 29.423 20.588 1.00 0.00 ATOM 610 CE1 PHE 74 40.695 26.970 21.802 1.00 0.00 ATOM 611 CE2 PHE 74 40.541 28.348 19.900 1.00 0.00 ATOM 612 CZ PHE 74 40.398 27.139 20.486 1.00 0.00 ATOM 613 O PHE 74 44.418 29.855 20.781 1.00 0.00 ATOM 614 C PHE 74 43.745 30.749 21.294 1.00 0.00 ATOM 615 N LYS 75 43.395 31.853 20.641 1.00 0.00 ATOM 616 CA LYS 75 43.794 32.070 19.257 1.00 0.00 ATOM 617 CB LYS 75 42.753 32.965 18.585 1.00 0.00 ATOM 618 CG LYS 75 41.364 32.350 18.488 1.00 0.00 ATOM 619 CD LYS 75 40.401 33.271 17.753 1.00 0.00 ATOM 620 CE LYS 75 39.002 32.675 17.690 1.00 0.00 ATOM 621 NZ LYS 75 38.033 33.594 17.034 1.00 0.00 ATOM 622 O LYS 75 45.940 32.402 18.238 1.00 0.00 ATOM 623 C LYS 75 45.181 32.697 19.161 1.00 0.00 ATOM 624 N GLY 76 45.497 33.586 20.098 1.00 0.00 ATOM 625 CA GLY 76 46.781 34.270 20.085 1.00 0.00 ATOM 626 O GLY 76 48.535 34.177 21.720 1.00 0.00 ATOM 627 C GLY 76 47.883 33.568 20.871 1.00 0.00 ATOM 628 N GLY 77 48.090 32.285 20.588 1.00 0.00 ATOM 629 CA GLY 77 49.112 31.524 21.272 1.00 0.00 ATOM 630 O GLY 77 49.511 29.976 23.079 1.00 0.00 ATOM 631 C GLY 77 48.670 30.585 22.364 1.00 0.00 ATOM 632 N ILE 78 47.359 30.417 22.499 1.00 0.00 ATOM 633 CA ILE 78 46.862 29.391 23.387 1.00 0.00 ATOM 634 CB ILE 78 45.650 29.337 23.928 1.00 0.00 ATOM 635 CG1 ILE 78 45.912 29.704 25.376 1.00 0.00 ATOM 636 CG2 ILE 78 45.000 27.949 23.890 1.00 0.00 ATOM 637 CD1 ILE 78 44.657 29.962 26.140 1.00 0.00 ATOM 638 O ILE 78 47.273 27.733 21.680 1.00 0.00 ATOM 639 C ILE 78 47.322 28.029 22.878 1.00 0.00 ATOM 640 N ASP 79 47.756 27.167 23.797 1.00 0.00 ATOM 641 CA ASP 79 48.296 25.873 23.419 1.00 0.00 ATOM 642 CB ASP 79 49.271 25.372 24.532 1.00 0.00 ATOM 643 CG ASP 79 48.579 25.289 25.884 1.00 0.00 ATOM 644 OD1 ASP 79 47.355 25.038 25.928 1.00 0.00 ATOM 645 OD2 ASP 79 49.268 25.467 26.911 1.00 0.00 ATOM 646 O ASP 79 46.078 25.157 23.126 1.00 0.00 ATOM 647 C ASP 79 47.257 24.840 23.270 1.00 0.00 ATOM 648 N TRP 80 47.629 23.636 23.412 1.00 0.00 ATOM 649 CA TRP 80 46.688 22.505 23.287 1.00 0.00 ATOM 650 CB TRP 80 46.916 21.215 22.497 1.00 0.00 ATOM 651 CG TRP 80 47.585 20.135 23.293 1.00 0.00 ATOM 652 CD1 TRP 80 48.925 19.916 23.407 1.00 0.00 ATOM 653 CD2 TRP 80 46.944 19.129 24.088 1.00 0.00 ATOM 654 CE2 TRP 80 47.958 18.336 24.653 1.00 0.00 ATOM 655 CE3 TRP 80 45.608 18.822 24.376 1.00 0.00 ATOM 656 NE1 TRP 80 49.160 18.836 24.221 1.00 0.00 ATOM 657 CZ2 TRP 80 47.686 17.261 25.483 1.00 0.00 ATOM 658 CZ3 TRP 80 45.335 17.745 25.209 1.00 0.00 ATOM 659 CH2 TRP 80 46.343 16.986 25.747 1.00 0.00 ATOM 660 O TRP 80 44.665 22.325 24.625 1.00 0.00 ATOM 661 C TRP 80 45.929 22.255 24.592 1.00 0.00 ATOM 662 N GLU 81 46.629 21.941 25.635 1.00 0.00 ATOM 663 CA GLU 81 45.998 21.490 26.885 1.00 0.00 ATOM 664 CB GLU 81 47.035 20.880 27.831 1.00 0.00 ATOM 665 CG GLU 81 46.457 20.340 29.132 1.00 0.00 ATOM 666 CD GLU 81 47.523 19.704 29.980 1.00 0.00 ATOM 667 OE1 GLU 81 48.657 19.692 29.566 1.00 0.00 ATOM 668 OE2 GLU 81 47.226 19.333 31.091 1.00 0.00 ATOM 669 O GLU 81 44.157 22.569 27.982 1.00 0.00 ATOM 670 C GLU 81 45.308 22.671 27.556 1.00 0.00 ATOM 671 N ASN 82 46.017 23.791 27.647 1.00 0.00 ATOM 672 CA ASN 82 45.453 25.010 28.213 1.00 0.00 ATOM 673 CB ASN 82 46.522 26.065 28.434 1.00 0.00 ATOM 674 CG ASN 82 47.425 25.777 29.601 1.00 0.00 ATOM 675 ND2 ASN 82 48.538 26.465 29.635 1.00 0.00 ATOM 676 OD1 ASN 82 47.085 24.998 30.498 1.00 0.00 ATOM 677 O ASN 82 43.390 26.190 27.891 1.00 0.00 ATOM 678 C ASN 82 44.319 25.576 27.366 1.00 0.00 ATOM 679 N LYS 83 44.396 25.367 26.055 1.00 0.00 ATOM 680 CA LYS 83 43.367 25.861 25.152 1.00 0.00 ATOM 681 CB LYS 83 43.741 24.986 23.780 1.00 0.00 ATOM 682 CG LYS 83 43.411 25.466 22.371 1.00 0.00 ATOM 683 CD LYS 83 43.634 24.303 21.420 1.00 0.00 ATOM 684 CE LYS 83 43.025 24.492 20.063 1.00 0.00 ATOM 685 NZ LYS 83 43.973 24.856 19.002 1.00 0.00 ATOM 686 O LYS 83 40.990 25.748 25.460 1.00 0.00 ATOM 687 C LYS 83 42.051 25.127 25.386 1.00 0.00 ATOM 688 N ARG 84 42.121 23.805 25.500 1.00 0.00 ATOM 689 CA ARG 84 40.943 23.022 25.725 1.00 0.00 ATOM 690 CB ARG 84 41.305 21.493 25.501 1.00 0.00 ATOM 691 CG ARG 84 40.128 20.564 25.498 1.00 0.00 ATOM 692 CD ARG 84 40.544 19.144 25.951 1.00 0.00 ATOM 693 NE ARG 84 40.972 19.161 27.353 1.00 0.00 ATOM 694 CZ ARG 84 40.149 19.330 28.385 1.00 0.00 ATOM 695 NH1 ARG 84 38.843 19.439 28.201 1.00 0.00 ATOM 696 NH2 ARG 84 40.634 19.363 29.618 1.00 0.00 ATOM 697 O ARG 84 39.122 23.278 27.261 1.00 0.00 ATOM 698 C ARG 84 40.341 23.315 27.091 1.00 0.00 ATOM 699 N VAL 85 41.196 23.609 28.067 1.00 0.00 ATOM 700 CA VAL 85 40.730 23.909 29.415 1.00 0.00 ATOM 701 CB VAL 85 41.870 23.904 30.451 1.00 0.00 ATOM 702 CG1 VAL 85 41.390 24.481 31.773 1.00 0.00 ATOM 703 CG2 VAL 85 42.403 22.493 30.649 1.00 0.00 ATOM 704 O VAL 85 38.976 25.458 29.930 1.00 0.00 ATOM 705 C VAL 85 40.083 25.286 29.420 1.00 0.00 ATOM 706 N LYS 86 40.773 26.268 28.847 1.00 0.00 ATOM 707 CA LYS 86 40.249 27.627 28.792 1.00 0.00 ATOM 708 CB LYS 86 41.380 28.593 28.436 1.00 0.00 ATOM 709 CG LYS 86 42.485 28.680 29.482 1.00 0.00 ATOM 710 CD LYS 86 43.583 29.638 29.049 1.00 0.00 ATOM 711 CE LYS 86 44.683 29.731 30.095 1.00 0.00 ATOM 712 NZ LYS 86 45.772 30.656 29.678 1.00 0.00 ATOM 713 O LYS 86 38.089 28.440 28.164 1.00 0.00 ATOM 714 C LYS 86 39.008 27.706 27.887 1.00 0.00 ATOM 715 N LEU 87 38.979 26.949 26.812 1.00 0.00 ATOM 716 CA LEU 87 37.768 26.911 25.984 1.00 0.00 ATOM 717 CB LEU 87 38.050 26.080 24.725 1.00 0.00 ATOM 718 CG LEU 87 36.875 25.962 23.746 1.00 0.00 ATOM 719 CD1 LEU 87 36.484 27.340 23.229 1.00 0.00 ATOM 720 CD2 LEU 87 37.263 25.045 22.596 1.00 0.00 ATOM 721 O LEU 87 35.500 26.870 26.767 1.00 0.00 ATOM 722 C LEU 87 36.611 26.338 26.792 1.00 0.00 ATOM 723 N LYS 88 36.877 25.250 27.508 1.00 0.00 ATOM 724 CA LYS 88 35.913 24.682 28.444 1.00 0.00 ATOM 725 CB LYS 88 36.505 23.461 29.150 1.00 0.00 ATOM 726 CG LYS 88 35.540 22.755 30.094 1.00 0.00 ATOM 727 CD LYS 88 36.159 21.491 30.674 1.00 0.00 ATOM 728 CE LYS 88 35.202 20.791 31.627 1.00 0.00 ATOM 729 NZ LYS 88 35.792 19.548 32.195 1.00 0.00 ATOM 730 O LYS 88 34.229 25.780 29.752 1.00 0.00 ATOM 731 C LYS 88 35.420 25.723 29.443 1.00 0.00 ATOM 732 N LEU 89 36.337 26.544 29.946 1.00 0.00 ATOM 733 CA LEU 89 35.976 27.577 30.907 1.00 0.00 ATOM 734 CB LEU 89 37.242 28.268 31.429 1.00 0.00 ATOM 735 CG LEU 89 38.090 27.433 32.397 1.00 0.00 ATOM 736 CD1 LEU 89 39.383 28.167 32.724 1.00 0.00 ATOM 737 CD2 LEU 89 37.292 27.156 33.663 1.00 0.00 ATOM 738 O LEU 89 34.142 29.119 30.918 1.00 0.00 ATOM 739 C LEU 89 35.048 28.599 30.267 1.00 0.00 ATOM 740 N ASN 90 35.275 28.886 28.988 1.00 0.00 ATOM 741 CA ASN 90 34.447 29.850 28.273 1.00 0.00 ATOM 742 CB ASN 90 35.020 30.208 26.913 1.00 0.00 ATOM 743 CG ASN 90 36.208 31.127 26.981 1.00 0.00 ATOM 744 ND2 ASN 90 36.934 31.192 25.894 1.00 0.00 ATOM 745 OD1 ASN 90 36.423 31.825 27.979 1.00 0.00 ATOM 746 O ASN 90 32.090 29.983 28.308 1.00 0.00 ATOM 747 C ASN 90 33.092 29.291 28.124 1.00 0.00 ATOM 748 N ASP 91 33.029 28.009 27.783 1.00 0.00 ATOM 749 CA ASP 91 31.748 27.335 27.606 1.00 0.00 ATOM 750 CB ASP 91 31.981 25.963 26.969 1.00 0.00 ATOM 751 CG ASP 91 30.705 25.213 26.606 1.00 0.00 ATOM 752 OD1 ASP 91 29.950 25.716 25.810 1.00 0.00 ATOM 753 OD2 ASP 91 30.574 24.080 27.004 1.00 0.00 ATOM 754 O ASP 91 29.799 27.283 29.006 1.00 0.00 ATOM 755 C ASP 91 31.024 27.177 28.937 1.00 0.00 ATOM 756 N LEU 92 31.792 26.924 29.994 1.00 0.00 ATOM 757 CA LEU 92 31.216 26.715 31.316 1.00 0.00 ATOM 758 CB LEU 92 32.288 26.269 32.323 1.00 0.00 ATOM 759 CG LEU 92 32.925 24.910 32.011 1.00 0.00 ATOM 760 CD1 LEU 92 34.022 24.662 33.036 1.00 0.00 ATOM 761 CD2 LEU 92 31.921 23.779 32.076 1.00 0.00 ATOM 762 O LEU 92 29.376 27.878 32.323 1.00 0.00 ATOM 763 C LEU 92 30.474 27.970 31.773 1.00 0.00 ATOM 764 N LEU 93 31.050 29.165 31.550 1.00 0.00 ATOM 765 CA LEU 93 30.359 30.395 31.934 1.00 0.00 ATOM 766 CB LEU 93 31.212 31.627 31.701 1.00 0.00 ATOM 767 CG LEU 93 32.294 31.846 32.760 1.00 0.00 ATOM 768 CD1 LEU 93 33.127 33.108 32.364 1.00 0.00 ATOM 769 CD2 LEU 93 31.698 32.018 34.194 1.00 0.00 ATOM 770 O LEU 93 28.009 30.817 31.590 1.00 0.00 ATOM 771 C LEU 93 29.095 30.541 31.090 1.00 0.00 ATOM 772 N ALA 94 29.237 30.345 29.782 1.00 0.00 ATOM 773 CA ALA 94 28.151 30.501 28.844 1.00 0.00 ATOM 774 CB ALA 94 28.659 30.357 27.417 1.00 0.00 ATOM 775 O ALA 94 25.901 29.714 29.020 1.00 0.00 ATOM 776 C ALA 94 27.106 29.468 29.078 1.00 0.00 ATOM 777 N LEU 95 27.541 28.334 29.360 1.00 0.00 ATOM 778 CA LEU 95 26.565 27.261 29.504 1.00 0.00 ATOM 779 CB LEU 95 27.255 25.888 29.556 1.00 0.00 ATOM 780 CG LEU 95 26.320 24.685 29.673 1.00 0.00 ATOM 781 CD1 LEU 95 25.393 24.568 28.467 1.00 0.00 ATOM 782 CD2 LEU 95 27.163 23.433 29.797 1.00 0.00 ATOM 783 O LEU 95 24.470 27.139 30.671 1.00 0.00 ATOM 784 C LEU 95 25.659 27.438 30.733 1.00 0.00 ATOM 785 N GLU 96 26.206 27.886 31.842 1.00 0.00 ATOM 786 CA GLU 96 25.415 28.086 33.056 1.00 0.00 ATOM 787 CB GLU 96 26.258 28.698 34.177 1.00 0.00 ATOM 788 CG GLU 96 27.203 27.725 34.832 1.00 0.00 ATOM 789 CD GLU 96 26.462 26.559 35.473 1.00 0.00 ATOM 790 OE1 GLU 96 25.829 26.771 36.528 1.00 0.00 ATOM 791 OE2 GLU 96 26.501 25.445 34.913 1.00 0.00 ATOM 792 O GLU 96 23.152 28.877 33.148 1.00 0.00 ATOM 793 C GLU 96 24.299 29.078 32.746 1.00 0.00 ATOM 794 N THR 97 24.636 30.147 32.032 1.00 0.00 ATOM 795 CA THR 97 23.651 31.155 31.677 1.00 0.00 ATOM 796 CB THR 97 24.319 32.434 31.123 1.00 0.00 ATOM 797 CG2 THR 97 23.280 33.477 30.746 1.00 0.00 ATOM 798 OG1 THR 97 25.187 32.983 32.127 1.00 0.00 ATOM 799 O THR 97 21.416 30.763 30.851 1.00 0.00 ATOM 800 C THR 97 22.622 30.583 30.676 1.00 0.00 ATOM 801 N MET 98 23.107 29.902 29.643 1.00 0.00 ATOM 802 CA MET 98 22.222 29.317 28.642 1.00 0.00 ATOM 803 CB MET 98 23.028 28.610 27.560 1.00 0.00 ATOM 804 CG MET 98 23.802 29.558 26.651 1.00 0.00 ATOM 805 SD MET 98 24.734 28.686 25.366 1.00 0.00 ATOM 806 CE MET 98 26.205 28.223 26.305 1.00 0.00 ATOM 807 O MET 98 20.096 28.244 28.843 1.00 0.00 ATOM 808 C MET 98 21.220 28.374 29.317 1.00 0.00 ATOM 809 N LEU 99 21.662 27.608 30.326 1.00 0.00 ATOM 810 CA LEU 99 20.823 26.612 30.954 1.00 0.00 ATOM 811 CB LEU 99 21.484 25.879 32.117 1.00 0.00 ATOM 812 CG LEU 99 20.578 24.858 32.831 1.00 0.00 ATOM 813 CD1 LEU 99 20.337 23.626 31.943 1.00 0.00 ATOM 814 CD2 LEU 99 21.180 24.470 34.171 1.00 0.00 ATOM 815 O LEU 99 18.482 26.720 31.469 1.00 0.00 ATOM 816 C LEU 99 19.582 27.242 31.575 1.00 0.00 ATOM 817 N GLU 100 19.797 28.368 32.241 1.00 0.00 ATOM 818 CA GLU 100 18.651 29.059 32.822 1.00 0.00 ATOM 819 CB GLU 100 19.107 30.305 33.582 1.00 0.00 ATOM 820 CG GLU 100 19.930 30.007 34.826 1.00 0.00 ATOM 821 CD GLU 100 20.467 31.264 35.482 1.00 0.00 ATOM 822 OE1 GLU 100 20.259 32.362 34.927 1.00 0.00 ATOM 823 OE2 GLU 100 21.096 31.151 36.556 1.00 0.00 ATOM 824 O GLU 100 16.443 29.269 31.973 1.00 0.00 ATOM 825 C GLU 100 17.647 29.455 31.785 1.00 0.00 ATOM 826 N GLU 101 18.129 29.980 30.641 1.00 0.00 ATOM 827 CA GLU 101 17.217 30.356 29.590 1.00 0.00 ATOM 828 CB GLU 101 17.973 31.025 28.441 1.00 0.00 ATOM 829 CG GLU 101 18.505 32.411 28.770 1.00 0.00 ATOM 830 CD GLU 101 19.350 32.990 27.654 1.00 0.00 ATOM 831 OE1 GLU 101 19.582 32.279 26.653 1.00 0.00 ATOM 832 OE2 GLU 101 19.782 34.155 27.780 1.00 0.00 ATOM 833 O GLU 101 15.315 29.212 28.747 1.00 0.00 ATOM 834 C GLU 101 16.511 29.165 29.041 1.00 0.00 ATOM 835 N TRP 102 17.246 28.066 28.893 1.00 0.00 ATOM 836 CA TRP 102 16.668 26.835 28.368 1.00 0.00 ATOM 837 CB TRP 102 17.709 25.709 28.041 1.00 0.00 ATOM 838 CG TRP 102 18.889 26.083 27.179 1.00 0.00 ATOM 839 CD1 TRP 102 20.180 25.775 27.438 1.00 0.00 ATOM 840 CD2 TRP 102 18.900 26.851 25.942 1.00 0.00 ATOM 841 CE2 TRP 102 20.251 26.950 25.531 1.00 0.00 ATOM 842 CE3 TRP 102 17.907 27.427 25.128 1.00 0.00 ATOM 843 NE1 TRP 102 21.007 26.273 26.459 1.00 0.00 ATOM 844 CZ2 TRP 102 20.640 27.608 24.363 1.00 0.00 ATOM 845 CZ3 TRP 102 18.296 28.129 23.976 1.00 0.00 ATOM 846 CH2 TRP 102 19.657 28.197 23.593 1.00 0.00 ATOM 847 O TRP 102 14.506 25.890 28.801 1.00 0.00 ATOM 848 C TRP 102 15.564 26.306 29.277 1.00 0.00 ATOM 849 N ASP 103 15.810 26.324 30.583 1.00 0.00 ATOM 850 CA ASP 103 14.832 25.849 31.528 1.00 0.00 ATOM 851 CB ASP 103 15.365 25.828 32.962 1.00 0.00 ATOM 852 CG ASP 103 14.393 25.195 33.936 1.00 0.00 ATOM 853 OD1 ASP 103 14.081 23.996 33.770 1.00 0.00 ATOM 854 OD2 ASP 103 13.941 25.895 34.867 1.00 0.00 ATOM 855 O ASP 103 12.475 26.193 31.524 1.00 0.00 ATOM 856 C ASP 103 13.573 26.724 31.474 1.00 0.00 ATOM 857 N ARG 104 13.764 28.022 31.348 1.00 0.00 ATOM 858 CA ARG 104 12.623 28.905 31.292 1.00 0.00 ATOM 859 CB ARG 104 13.095 30.344 31.387 1.00 0.00 ATOM 860 CG ARG 104 12.029 31.402 31.153 1.00 0.00 ATOM 861 CD ARG 104 11.368 31.795 32.372 1.00 0.00 ATOM 862 NE ARG 104 9.989 32.160 32.110 1.00 0.00 ATOM 863 CZ ARG 104 9.216 32.718 32.998 1.00 0.00 ATOM 864 NH1 ARG 104 9.673 33.081 34.191 1.00 0.00 ATOM 865 NH2 ARG 104 7.986 32.954 32.667 1.00 0.00 ATOM 866 O ARG 104 10.589 28.604 30.109 1.00 0.00 ATOM 867 C ARG 104 11.816 28.681 30.033 1.00 0.00 ATOM 868 N ARG 105 12.472 28.530 28.899 1.00 0.00 ATOM 869 CA ARG 105 11.718 28.293 27.669 1.00 0.00 ATOM 870 CB ARG 105 12.613 28.336 26.462 1.00 0.00 ATOM 871 CG ARG 105 13.255 29.663 26.189 1.00 0.00 ATOM 872 CD ARG 105 13.923 29.662 24.837 1.00 0.00 ATOM 873 NE ARG 105 12.923 29.799 23.765 1.00 0.00 ATOM 874 CZ ARG 105 13.154 29.623 22.470 1.00 0.00 ATOM 875 NH1 ARG 105 14.303 29.220 22.018 1.00 0.00 ATOM 876 NH2 ARG 105 12.147 29.821 21.611 1.00 0.00 ATOM 877 O ARG 105 9.888 26.797 27.227 1.00 0.00 ATOM 878 C ARG 105 11.031 26.930 27.688 1.00 0.00 ATOM 879 N VAL 106 11.660 25.924 28.231 1.00 0.00 ATOM 880 CA VAL 106 11.083 24.595 28.275 1.00 0.00 ATOM 881 CB VAL 106 12.153 23.567 28.754 1.00 0.00 ATOM 882 CG1 VAL 106 11.491 22.245 29.161 1.00 0.00 ATOM 883 CG2 VAL 106 13.149 23.340 27.648 1.00 0.00 ATOM 884 O VAL 106 8.819 24.040 28.842 1.00 0.00 ATOM 885 C VAL 106 9.856 24.612 29.180 1.00 0.00 ATOM 886 N LYS 107 9.975 25.269 30.329 1.00 0.00 ATOM 887 CA LYS 107 8.869 25.352 31.265 1.00 0.00 ATOM 888 CB LYS 107 9.323 26.042 32.576 1.00 0.00 ATOM 889 CG LYS 107 8.190 26.257 33.562 1.00 0.00 ATOM 890 CD LYS 107 7.261 25.133 33.902 1.00 0.00 ATOM 891 CE LYS 107 7.899 24.138 34.602 1.00 0.00 ATOM 892 NZ LYS 107 6.851 23.100 35.460 1.00 0.00 ATOM 893 O LYS 107 6.581 25.583 30.588 1.00 0.00 ATOM 894 C LYS 107 7.711 26.074 30.593 1.00 0.00 ATOM 895 N ARG 108 7.991 27.244 30.026 1.00 0.00 ATOM 896 CA ARG 108 6.959 28.023 29.350 1.00 0.00 ATOM 897 CB ARG 108 6.989 29.375 30.062 1.00 0.00 ATOM 898 CG ARG 108 6.597 29.260 31.562 1.00 0.00 ATOM 899 CD ARG 108 5.221 28.671 31.781 1.00 0.00 ATOM 900 NE ARG 108 4.249 29.566 31.161 1.00 0.00 ATOM 901 CZ ARG 108 3.716 30.585 31.807 1.00 0.00 ATOM 902 NH1 ARG 108 3.974 30.735 33.114 1.00 0.00 ATOM 903 NH2 ARG 108 2.917 31.395 31.162 1.00 0.00 ATOM 904 O ARG 108 6.257 28.762 27.254 1.00 0.00 ATOM 905 C ARG 108 7.135 28.244 27.890 1.00 0.00 TER END