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 2 Fri Jul 25 17:24:01 2008 MODEL 2 PARENT N/A ATOM 1 N SER 1 19.800 34.170 13.716 1.00 0.00 ATOM 2 CA SER 1 19.616 33.626 12.370 1.00 0.00 ATOM 3 CB SER 1 20.210 34.568 11.341 1.00 0.00 ATOM 4 OG SER 1 21.609 34.611 11.412 1.00 0.00 ATOM 5 O SER 1 20.648 31.760 13.392 1.00 0.00 ATOM 6 C SER 1 20.263 32.251 12.330 1.00 0.00 ATOM 7 N ALA 2 20.301 31.613 11.160 1.00 0.00 ATOM 8 CA ALA 2 20.920 30.286 11.053 1.00 0.00 ATOM 9 CB ALA 2 20.731 29.641 9.687 1.00 0.00 ATOM 10 O ALA 2 22.792 29.288 12.145 1.00 0.00 ATOM 11 C ALA 2 22.388 30.229 11.477 1.00 0.00 ATOM 12 N LYS 3 23.101 31.309 11.182 1.00 0.00 ATOM 13 CA LYS 3 24.517 31.430 11.541 1.00 0.00 ATOM 14 CB LYS 3 25.104 32.724 10.976 1.00 0.00 ATOM 15 CG LYS 3 25.206 32.758 9.457 1.00 0.00 ATOM 16 CD LYS 3 25.817 34.064 8.972 1.00 0.00 ATOM 17 CE LYS 3 25.891 34.111 7.452 1.00 0.00 ATOM 18 NZ LYS 3 26.470 35.392 6.963 1.00 0.00 ATOM 19 O LYS 3 23.746 31.797 13.799 1.00 0.00 ATOM 20 C LYS 3 24.653 31.378 13.075 1.00 0.00 ATOM 21 N CYS 4 25.598 30.557 13.518 1.00 0.00 ATOM 22 CA CYS 4 25.817 30.333 14.950 1.00 0.00 ATOM 23 CB CYS 4 26.576 29.025 15.175 1.00 0.00 ATOM 24 SG CYS 4 26.579 28.588 16.957 1.00 0.00 ATOM 25 O CYS 4 27.654 31.851 14.981 1.00 0.00 ATOM 26 C CYS 4 26.633 31.485 15.558 1.00 0.00 ATOM 27 N PRO 5 26.275 31.971 16.762 1.00 0.00 ATOM 28 CA PRO 5 27.106 32.937 17.510 1.00 0.00 ATOM 29 CB PRO 5 26.228 33.387 18.667 1.00 0.00 ATOM 30 CG PRO 5 25.312 32.184 18.916 1.00 0.00 ATOM 31 CD PRO 5 25.047 31.658 17.512 1.00 0.00 ATOM 32 O PRO 5 29.195 33.104 18.669 1.00 0.00 ATOM 33 C PRO 5 28.427 32.372 18.050 1.00 0.00 ATOM 34 N ILE 6 28.504 31.044 18.114 1.00 0.00 ATOM 35 CA ILE 6 29.647 30.287 18.685 1.00 0.00 ATOM 36 CB ILE 6 29.039 29.111 19.502 1.00 0.00 ATOM 37 CG1 ILE 6 28.066 29.628 20.567 1.00 0.00 ATOM 38 CG2 ILE 6 29.959 28.106 20.198 1.00 0.00 ATOM 39 CD1 ILE 6 28.634 30.579 21.632 1.00 0.00 ATOM 40 O ILE 6 31.656 30.413 17.324 1.00 0.00 ATOM 41 C ILE 6 30.560 29.907 17.503 1.00 0.00 ATOM 42 N CYS 7 30.131 28.934 16.720 1.00 0.00 ATOM 43 CA CYS 7 30.862 28.442 15.537 1.00 0.00 ATOM 44 CB CYS 7 30.201 27.145 15.093 1.00 0.00 ATOM 45 SG CYS 7 29.317 26.269 16.431 1.00 0.00 ATOM 46 O CYS 7 29.744 30.123 14.288 1.00 0.00 ATOM 47 C CYS 7 30.727 29.403 14.359 1.00 0.00 ATOM 48 N GLY 8 31.441 29.024 13.312 1.00 0.00 ATOM 49 CA GLY 8 31.206 29.530 11.943 1.00 0.00 ATOM 50 O GLY 8 29.606 29.232 10.158 1.00 0.00 ATOM 51 C GLY 8 30.025 28.832 11.244 1.00 0.00 ATOM 52 N SER 9 29.638 27.650 11.757 1.00 0.00 ATOM 53 CA SER 9 28.600 26.815 11.119 1.00 0.00 ATOM 54 CB SER 9 28.596 25.429 11.732 1.00 0.00 ATOM 55 OG SER 9 29.802 24.750 11.507 1.00 0.00 ATOM 56 O SER 9 26.912 28.136 12.193 1.00 0.00 ATOM 57 C SER 9 27.198 27.425 11.225 1.00 0.00 ATOM 58 N PRO 10 26.332 27.194 10.230 1.00 0.00 ATOM 59 CA PRO 10 24.977 27.762 10.244 1.00 0.00 ATOM 60 CB PRO 10 24.566 27.753 8.771 1.00 0.00 ATOM 61 CG PRO 10 25.258 26.506 8.218 1.00 0.00 ATOM 62 CD PRO 10 26.593 26.495 8.961 1.00 0.00 ATOM 63 O PRO 10 23.128 26.314 10.647 1.00 0.00 ATOM 64 C PRO 10 24.053 26.935 11.145 1.00 0.00 ATOM 65 N LEU 11 24.356 26.899 12.446 1.00 0.00 ATOM 66 CA LEU 11 23.579 26.135 13.425 1.00 0.00 ATOM 67 CB LEU 11 24.440 25.019 14.030 1.00 0.00 ATOM 68 CG LEU 11 24.963 23.982 13.029 1.00 0.00 ATOM 69 CD1 LEU 11 25.912 23.015 13.725 1.00 0.00 ATOM 70 CD2 LEU 11 23.790 23.235 12.410 1.00 0.00 ATOM 71 O LEU 11 23.748 27.770 15.202 1.00 0.00 ATOM 72 C LEU 11 23.017 27.037 14.550 1.00 0.00 ATOM 73 N LYS 12 21.730 26.883 14.848 1.00 0.00 ATOM 74 CA LYS 12 21.069 27.584 15.969 1.00 0.00 ATOM 75 CB LYS 12 19.668 28.044 15.562 1.00 0.00 ATOM 76 CG LYS 12 19.025 29.031 16.526 1.00 0.00 ATOM 77 CD LYS 12 17.634 29.434 16.061 1.00 0.00 ATOM 78 CE LYS 12 16.984 30.405 17.035 1.00 0.00 ATOM 79 NZ LYS 12 15.609 30.786 16.606 1.00 0.00 ATOM 80 O LYS 12 20.549 25.526 17.137 1.00 0.00 ATOM 81 C LYS 12 21.012 26.652 17.190 1.00 0.00 ATOM 82 N TRP 13 21.200 27.252 18.353 1.00 0.00 ATOM 83 CA TRP 13 21.112 26.491 19.616 1.00 0.00 ATOM 84 CB TRP 13 21.516 27.344 20.804 1.00 0.00 ATOM 85 CG TRP 13 23.028 27.598 20.812 1.00 0.00 ATOM 86 CD1 TRP 13 23.670 28.705 20.462 1.00 0.00 ATOM 87 CD2 TRP 13 23.974 26.718 21.307 1.00 0.00 ATOM 88 CE2 TRP 13 25.189 27.367 21.240 1.00 0.00 ATOM 89 CE3 TRP 13 23.901 25.418 21.781 1.00 0.00 ATOM 90 NE1 TRP 13 24.964 28.573 20.732 1.00 0.00 ATOM 91 CZ2 TRP 13 26.357 26.717 21.620 1.00 0.00 ATOM 92 CZ3 TRP 13 25.069 24.767 22.161 1.00 0.00 ATOM 93 CH2 TRP 13 26.289 25.407 22.074 1.00 0.00 ATOM 94 O TRP 13 19.646 24.756 20.383 1.00 0.00 ATOM 95 C TRP 13 19.737 25.865 19.877 1.00 0.00 ATOM 96 N GLU 14 18.684 26.586 19.476 1.00 0.00 ATOM 97 CA GLU 14 17.304 26.074 19.489 1.00 0.00 ATOM 98 CB GLU 14 16.329 27.146 18.999 1.00 0.00 ATOM 99 CG GLU 14 14.868 26.721 19.009 1.00 0.00 ATOM 100 CD GLU 14 13.966 27.855 18.608 1.00 0.00 ATOM 101 OE1 GLU 14 14.161 28.397 17.547 1.00 0.00 ATOM 102 OE2 GLU 14 13.013 28.106 19.309 1.00 0.00 ATOM 103 O GLU 14 16.704 23.777 19.059 1.00 0.00 ATOM 104 C GLU 14 17.201 24.811 18.622 1.00 0.00 ATOM 105 N GLU 15 17.839 24.869 17.459 1.00 0.00 ATOM 106 CA GLU 15 17.924 23.708 16.565 1.00 0.00 ATOM 107 CB GLU 15 18.582 24.100 15.240 1.00 0.00 ATOM 108 CG GLU 15 17.727 24.994 14.353 1.00 0.00 ATOM 109 CD GLU 15 18.483 25.434 13.130 1.00 0.00 ATOM 110 OE1 GLU 15 19.642 25.112 13.023 1.00 0.00 ATOM 111 OE2 GLU 15 17.874 25.995 12.250 1.00 0.00 ATOM 112 O GLU 15 18.173 21.415 17.182 1.00 0.00 ATOM 113 C GLU 15 18.683 22.529 17.153 1.00 0.00 ATOM 114 N LEU 16 19.755 22.846 17.860 1.00 0.00 ATOM 115 CA LEU 16 20.552 21.819 18.564 1.00 0.00 ATOM 116 CB LEU 16 21.849 22.454 19.083 1.00 0.00 ATOM 117 CG LEU 16 22.822 22.836 17.956 1.00 0.00 ATOM 118 CD1 LEU 16 23.957 23.689 18.510 1.00 0.00 ATOM 119 CD2 LEU 16 23.385 21.680 17.112 1.00 0.00 ATOM 120 O LEU 16 19.665 19.930 19.771 1.00 0.00 ATOM 121 C LEU 16 19.744 21.159 19.698 1.00 0.00 ATOM 122 N ILE 17 19.036 21.971 20.471 1.00 0.00 ATOM 123 CA ILE 17 18.164 21.469 21.558 1.00 0.00 ATOM 124 CB ILE 17 17.573 22.624 22.388 1.00 0.00 ATOM 125 CG1 ILE 17 18.678 23.337 23.172 1.00 0.00 ATOM 126 CG2 ILE 17 16.497 22.107 23.330 1.00 0.00 ATOM 127 CD1 ILE 17 18.201 24.556 23.928 1.00 0.00 ATOM 128 O ILE 17 16.796 19.515 21.503 1.00 0.00 ATOM 129 C ILE 17 17.019 20.615 21.002 1.00 0.00 ATOM 130 N GLU 18 16.354 21.135 19.968 1.00 0.00 ATOM 131 CA GLU 18 15.222 20.449 19.329 1.00 0.00 ATOM 132 CB GLU 18 14.575 21.351 18.276 1.00 0.00 ATOM 133 CG GLU 18 13.812 22.539 18.848 1.00 0.00 ATOM 134 CD GLU 18 13.313 23.443 17.757 1.00 0.00 ATOM 135 OE1 GLU 18 13.616 23.189 16.616 1.00 0.00 ATOM 136 OE2 GLU 18 12.538 24.323 18.050 1.00 0.00 ATOM 137 O GLU 18 15.022 18.097 18.946 1.00 0.00 ATOM 138 C GLU 18 15.628 19.127 18.683 1.00 0.00 ATOM 139 N GLU 19 16.783 19.131 18.017 1.00 0.00 ATOM 140 CA GLU 19 17.288 17.900 17.377 1.00 0.00 ATOM 141 CB GLU 19 18.521 18.207 16.523 1.00 0.00 ATOM 142 CG GLU 19 19.078 17.008 15.771 1.00 0.00 ATOM 143 CD GLU 19 20.250 17.398 14.914 1.00 0.00 ATOM 144 OE1 GLU 19 20.596 18.554 14.903 1.00 0.00 ATOM 145 OE2 GLU 19 20.871 16.522 14.357 1.00 0.00 ATOM 146 O GLU 19 17.294 15.660 18.253 1.00 0.00 ATOM 147 C GLU 19 17.627 16.827 18.402 1.00 0.00 ATOM 148 N MET 20 18.237 17.289 19.496 1.00 0.00 ATOM 149 CA MET 20 18.553 16.399 20.625 1.00 0.00 ATOM 150 CB MET 20 19.408 17.136 21.655 1.00 0.00 ATOM 151 CG MET 20 20.822 17.448 21.190 1.00 0.00 ATOM 152 SD MET 20 21.756 18.404 22.402 1.00 0.00 ATOM 153 CE MET 20 21.982 17.185 23.694 1.00 0.00 ATOM 154 O MET 20 17.223 14.638 21.531 1.00 0.00 ATOM 155 C MET 20 17.301 15.844 21.305 1.00 0.00 ATOM 156 N LEU 21 16.320 16.720 21.526 1.00 0.00 ATOM 157 CA LEU 21 15.033 16.323 22.114 1.00 0.00 ATOM 158 CB LEU 21 14.186 17.564 22.423 1.00 0.00 ATOM 159 CG LEU 21 12.858 17.285 23.139 1.00 0.00 ATOM 160 CD1 LEU 21 13.118 16.613 24.480 1.00 0.00 ATOM 161 CD2 LEU 21 12.098 18.590 23.327 1.00 0.00 ATOM 162 O LEU 21 13.545 14.529 21.717 1.00 0.00 ATOM 163 C LEU 21 14.252 15.374 21.202 1.00 0.00 ATOM 164 N ILE 22 14.400 15.523 19.883 1.00 0.00 ATOM 165 CA ILE 22 13.757 14.643 18.884 1.00 0.00 ATOM 166 CB ILE 22 13.794 15.270 17.471 1.00 0.00 ATOM 167 CG1 ILE 22 12.884 16.502 17.454 1.00 0.00 ATOM 168 CG2 ILE 22 13.357 14.289 16.361 1.00 0.00 ATOM 169 CD1 ILE 22 13.126 17.446 16.277 1.00 0.00 ATOM 170 O ILE 22 13.716 12.229 18.736 1.00 0.00 ATOM 171 C ILE 22 14.395 13.239 18.894 1.00 0.00 ATOM 172 N ILE 23 15.714 13.248 18.758 1.00 0.00 ATOM 173 CA ILE 23 16.479 12.002 18.678 1.00 0.00 ATOM 174 CB ILE 23 17.949 12.265 18.299 1.00 0.00 ATOM 175 CG1 ILE 23 18.037 12.875 16.897 1.00 0.00 ATOM 176 CG2 ILE 23 18.756 10.979 18.376 1.00 0.00 ATOM 177 CD1 ILE 23 19.418 13.374 16.536 1.00 0.00 ATOM 178 O ILE 23 17.030 11.742 20.988 1.00 0.00 ATOM 179 C ILE 23 16.370 11.314 20.047 1.00 0.00 ATOM 180 N GLU 24 15.914 10.067 19.967 1.00 0.00 ATOM 181 CA GLU 24 15.712 9.264 21.189 1.00 0.00 ATOM 182 CB GLU 24 14.946 7.979 20.866 1.00 0.00 ATOM 183 CG GLU 24 13.485 8.194 20.499 1.00 0.00 ATOM 184 CD GLU 24 12.827 6.902 20.099 1.00 0.00 ATOM 185 OE1 GLU 24 13.503 5.904 20.049 1.00 0.00 ATOM 186 OE2 GLU 24 11.628 6.891 19.953 1.00 0.00 ATOM 187 O GLU 24 17.197 9.033 23.086 1.00 0.00 ATOM 188 C GLU 24 17.032 8.913 21.876 1.00 0.00 ATOM 189 N ASN 25 18.059 8.752 21.037 1.00 0.00 ATOM 190 CA ASN 25 19.425 8.526 21.527 1.00 0.00 ATOM 191 CB ASN 25 20.361 8.131 20.399 1.00 0.00 ATOM 192 CG ASN 25 20.141 6.733 19.891 1.00 0.00 ATOM 193 ND2 ASN 25 20.670 6.466 18.724 1.00 0.00 ATOM 194 OD1 ASN 25 19.562 5.885 20.580 1.00 0.00 ATOM 195 O ASN 25 20.778 9.589 23.217 1.00 0.00 ATOM 196 C ASN 25 20.021 9.729 22.265 1.00 0.00 ATOM 197 N PHE 26 19.611 10.915 21.824 1.00 0.00 ATOM 198 CA PHE 26 20.003 12.194 22.451 1.00 0.00 ATOM 199 CB PHE 26 20.021 13.316 21.412 1.00 0.00 ATOM 200 CG PHE 26 21.144 13.204 20.420 1.00 0.00 ATOM 201 CD1 PHE 26 22.116 12.225 20.557 1.00 0.00 ATOM 202 CD2 PHE 26 21.231 14.079 19.346 1.00 0.00 ATOM 203 CE1 PHE 26 23.149 12.122 19.645 1.00 0.00 ATOM 204 CE2 PHE 26 22.261 13.977 18.433 1.00 0.00 ATOM 205 CZ PHE 26 23.222 12.997 18.583 1.00 0.00 ATOM 206 O PHE 26 19.550 13.379 24.477 1.00 0.00 ATOM 207 C PHE 26 19.104 12.624 23.614 1.00 0.00 ATOM 208 N GLU 27 17.919 12.025 23.677 1.00 0.00 ATOM 209 CA GLU 27 16.980 12.233 24.796 1.00 0.00 ATOM 210 CB GLU 27 15.646 11.540 24.512 1.00 0.00 ATOM 211 CG GLU 27 14.819 12.195 23.414 1.00 0.00 ATOM 212 CD GLU 27 13.577 11.400 23.120 1.00 0.00 ATOM 213 OE1 GLU 27 13.411 10.354 23.700 1.00 0.00 ATOM 214 OE2 GLU 27 12.739 11.891 22.401 1.00 0.00 ATOM 215 O GLU 27 17.444 12.374 27.163 1.00 0.00 ATOM 216 C GLU 27 17.550 11.730 26.118 1.00 0.00 ATOM 217 N GLU 28 18.324 10.655 26.035 1.00 0.00 ATOM 218 CA GLU 28 19.074 10.169 27.207 1.00 0.00 ATOM 219 CB GLU 28 19.742 8.828 26.898 1.00 0.00 ATOM 220 CG GLU 28 18.775 7.660 26.762 1.00 0.00 ATOM 221 CD GLU 28 19.490 6.403 26.350 1.00 0.00 ATOM 222 OE1 GLU 28 20.672 6.465 26.115 1.00 0.00 ATOM 223 OE2 GLU 28 18.880 5.360 26.379 1.00 0.00 ATOM 224 O GLU 28 20.421 11.262 28.875 1.00 0.00 ATOM 225 C GLU 28 20.140 11.171 27.683 1.00 0.00 ATOM 226 N ILE 29 20.761 11.864 26.727 1.00 0.00 ATOM 227 CA ILE 29 21.705 12.960 27.036 1.00 0.00 ATOM 228 CB ILE 29 22.467 13.420 25.779 1.00 0.00 ATOM 229 CG1 ILE 29 23.408 12.315 25.291 1.00 0.00 ATOM 230 CG2 ILE 29 23.243 14.696 26.066 1.00 0.00 ATOM 231 CD1 ILE 29 23.995 12.574 23.922 1.00 0.00 ATOM 232 O ILE 29 21.390 14.667 28.679 1.00 0.00 ATOM 233 C ILE 29 20.961 14.158 27.651 1.00 0.00 ATOM 234 N VAL 30 19.854 14.533 27.024 1.00 0.00 ATOM 235 CA VAL 30 19.096 15.737 27.444 1.00 0.00 ATOM 236 CB VAL 30 17.944 16.174 26.511 1.00 0.00 ATOM 237 CG1 VAL 30 18.458 16.506 25.126 1.00 0.00 ATOM 238 CG2 VAL 30 16.739 15.231 26.435 1.00 0.00 ATOM 239 O VAL 30 18.571 16.594 29.605 1.00 0.00 ATOM 240 C VAL 30 18.551 15.626 28.869 1.00 0.00 ATOM 241 N LYS 31 18.078 14.419 29.193 1.00 0.00 ATOM 242 CA LYS 31 17.486 14.125 30.502 1.00 0.00 ATOM 243 CB LYS 31 17.085 12.652 30.590 1.00 0.00 ATOM 244 CG LYS 31 16.426 12.257 31.905 1.00 0.00 ATOM 245 CD LYS 31 15.985 10.801 31.887 1.00 0.00 ATOM 246 CE LYS 31 15.339 10.401 33.206 1.00 0.00 ATOM 247 NZ LYS 31 14.910 8.976 33.205 1.00 0.00 ATOM 248 O LYS 31 18.043 15.032 32.645 1.00 0.00 ATOM 249 C LYS 31 18.467 14.481 31.638 1.00 0.00 ATOM 250 N ASP 32 19.759 14.237 31.391 1.00 0.00 ATOM 251 CA ASP 32 20.839 14.589 32.323 1.00 0.00 ATOM 252 CB ASP 32 21.864 13.467 32.258 1.00 0.00 ATOM 253 CG ASP 32 23.122 13.649 33.125 1.00 0.00 ATOM 254 OD1 ASP 32 23.436 14.782 33.537 1.00 0.00 ATOM 255 OD2 ASP 32 23.825 12.628 33.252 1.00 0.00 ATOM 256 O ASP 32 22.104 16.046 30.872 1.00 0.00 ATOM 257 C ASP 32 21.441 15.935 31.899 1.00 0.00 ATOM 258 N ARG 33 21.293 16.915 32.765 1.00 0.00 ATOM 259 CA ARG 33 21.691 18.313 32.504 1.00 0.00 ATOM 260 CB ARG 33 21.211 19.259 33.595 1.00 0.00 ATOM 261 CG ARG 33 19.710 19.501 33.618 1.00 0.00 ATOM 262 CD ARG 33 19.243 20.339 34.751 1.00 0.00 ATOM 263 NE ARG 33 19.713 21.715 34.717 1.00 0.00 ATOM 264 CZ ARG 33 19.631 22.577 35.748 1.00 0.00 ATOM 265 NH1 ARG 33 19.067 22.225 36.883 1.00 0.00 ATOM 266 NH2 ARG 33 20.113 23.797 35.583 1.00 0.00 ATOM 267 O ARG 33 23.651 19.053 31.355 1.00 0.00 ATOM 268 C ARG 33 23.196 18.411 32.290 1.00 0.00 ATOM 269 N GLU 34 23.945 17.749 33.161 1.00 0.00 ATOM 270 CA GLU 34 25.406 17.709 33.033 1.00 0.00 ATOM 271 CB GLU 34 26.028 16.987 34.230 1.00 0.00 ATOM 272 CG GLU 34 25.950 17.758 35.540 1.00 0.00 ATOM 273 CD GLU 34 26.460 16.935 36.690 1.00 0.00 ATOM 274 OE1 GLU 34 26.787 15.792 36.479 1.00 0.00 ATOM 275 OE2 GLU 34 26.631 17.480 37.754 1.00 0.00 ATOM 276 O GLU 34 26.568 17.629 30.945 1.00 0.00 ATOM 277 C GLU 34 25.845 17.031 31.737 1.00 0.00 ATOM 278 N ARG 35 25.217 15.888 31.429 1.00 0.00 ATOM 279 CA ARG 35 25.490 15.190 30.152 1.00 0.00 ATOM 280 CB ARG 35 24.837 13.803 30.150 1.00 0.00 ATOM 281 CG ARG 35 25.409 12.951 29.026 1.00 0.00 ATOM 282 CD ARG 35 24.704 11.602 28.921 1.00 0.00 ATOM 283 NE ARG 35 25.046 10.762 30.074 1.00 0.00 ATOM 284 CZ ARG 35 24.164 10.020 30.747 1.00 0.00 ATOM 285 NH1 ARG 35 22.883 9.931 30.423 1.00 0.00 ATOM 286 NH2 ARG 35 24.578 9.257 31.729 1.00 0.00 ATOM 287 O ARG 35 25.787 16.089 27.938 1.00 0.00 ATOM 288 C ARG 35 25.069 16.027 28.933 1.00 0.00 ATOM 289 N PHE 36 23.999 16.801 29.099 1.00 0.00 ATOM 290 CA PHE 36 23.508 17.753 28.078 1.00 0.00 ATOM 291 CB PHE 36 22.349 18.566 28.653 1.00 0.00 ATOM 292 CG PHE 36 21.665 19.486 27.636 1.00 0.00 ATOM 293 CD1 PHE 36 20.337 19.170 27.472 1.00 0.00 ATOM 294 CD2 PHE 36 22.242 20.504 26.889 1.00 0.00 ATOM 295 CE1 PHE 36 19.577 19.861 26.547 1.00 0.00 ATOM 296 CE2 PHE 36 21.474 21.195 25.953 1.00 0.00 ATOM 297 CZ PHE 36 20.136 20.868 25.787 1.00 0.00 ATOM 298 O PHE 36 24.979 19.002 26.630 1.00 0.00 ATOM 299 C PHE 36 24.613 18.756 27.767 1.00 0.00 ATOM 300 N LEU 37 25.090 19.366 28.853 1.00 0.00 ATOM 301 CA LEU 37 26.100 20.434 28.767 1.00 0.00 ATOM 302 CB LEU 37 26.357 21.032 30.155 1.00 0.00 ATOM 303 CG LEU 37 25.395 22.152 30.572 1.00 0.00 ATOM 304 CD1 LEU 37 24.140 22.110 29.709 1.00 0.00 ATOM 305 CD2 LEU 37 25.042 21.998 32.043 1.00 0.00 ATOM 306 O LEU 37 28.001 20.576 27.324 1.00 0.00 ATOM 307 C LEU 37 27.403 19.911 28.162 1.00 0.00 ATOM 308 N ALA 38 27.688 18.650 28.468 1.00 0.00 ATOM 309 CA ALA 38 28.852 17.957 27.911 1.00 0.00 ATOM 310 CB ALA 38 28.949 16.677 28.722 1.00 0.00 ATOM 311 O ALA 38 29.640 18.030 25.637 1.00 0.00 ATOM 312 C ALA 38 28.736 17.720 26.398 1.00 0.00 ATOM 313 N GLN 39 27.507 17.398 25.977 1.00 0.00 ATOM 314 CA GLN 39 27.158 17.281 24.558 1.00 0.00 ATOM 315 CB GLN 39 25.773 16.644 24.390 1.00 0.00 ATOM 316 CG GLN 39 25.497 16.267 22.930 1.00 0.00 ATOM 317 CD GLN 39 26.538 15.283 22.397 1.00 0.00 ATOM 318 OE1 GLN 39 26.750 14.197 22.910 1.00 0.00 ATOM 319 NE2 GLN 39 27.180 15.714 21.349 1.00 0.00 ATOM 320 O GLN 39 27.856 18.694 22.715 1.00 0.00 ATOM 321 C GLN 39 27.275 18.605 23.798 1.00 0.00 ATOM 322 N VAL 40 26.898 19.639 24.528 1.00 0.00 ATOM 323 CA VAL 40 27.032 21.040 24.094 1.00 0.00 ATOM 324 CB VAL 40 26.324 21.929 25.131 1.00 0.00 ATOM 325 CG1 VAL 40 26.607 23.397 24.928 1.00 0.00 ATOM 326 CG2 VAL 40 24.806 21.823 25.037 1.00 0.00 ATOM 327 O VAL 40 28.926 21.939 22.908 1.00 0.00 ATOM 328 C VAL 40 28.526 21.380 23.924 1.00 0.00 ATOM 329 N GLU 41 29.327 21.031 24.930 1.00 0.00 ATOM 330 CA GLU 41 30.780 21.234 24.927 1.00 0.00 ATOM 331 CB GLU 41 31.388 20.770 26.253 1.00 0.00 ATOM 332 CG GLU 41 32.887 21.004 26.373 1.00 0.00 ATOM 333 CD GLU 41 33.400 20.583 27.723 1.00 0.00 ATOM 334 OE1 GLU 41 32.611 20.149 28.527 1.00 0.00 ATOM 335 OE2 GLU 41 34.593 20.590 27.911 1.00 0.00 ATOM 336 O GLU 41 32.281 21.083 23.048 1.00 0.00 ATOM 337 C GLU 41 31.470 20.502 23.762 1.00 0.00 ATOM 338 N GLU 42 30.982 19.300 23.471 1.00 0.00 ATOM 339 CA GLU 42 31.412 18.536 22.287 1.00 0.00 ATOM 340 CB GLU 42 30.708 17.177 22.243 1.00 0.00 ATOM 341 CG GLU 42 31.206 16.178 23.278 1.00 0.00 ATOM 342 CD GLU 42 32.668 15.880 23.092 1.00 0.00 ATOM 343 OE1 GLU 42 33.050 15.535 21.999 1.00 0.00 ATOM 344 OE2 GLU 42 33.420 16.106 24.010 1.00 0.00 ATOM 345 O GLU 42 32.043 19.481 20.187 1.00 0.00 ATOM 346 C GLU 42 31.136 19.313 21.006 1.00 0.00 ATOM 347 N PHE 43 29.905 19.810 20.912 1.00 0.00 ATOM 348 CA PHE 43 29.489 20.649 19.776 1.00 0.00 ATOM 349 CB PHE 43 28.030 21.082 19.936 1.00 0.00 ATOM 350 CG PHE 43 27.038 20.018 19.560 1.00 0.00 ATOM 351 CD1 PHE 43 27.435 18.905 18.833 1.00 0.00 ATOM 352 CD2 PHE 43 25.707 20.128 19.930 1.00 0.00 ATOM 353 CE1 PHE 43 26.523 17.926 18.486 1.00 0.00 ATOM 354 CE2 PHE 43 24.793 19.151 19.585 1.00 0.00 ATOM 355 CZ PHE 43 25.203 18.049 18.862 1.00 0.00 ATOM 356 O PHE 43 30.752 22.271 18.535 1.00 0.00 ATOM 357 C PHE 43 30.395 21.884 19.636 1.00 0.00 ATOM 358 N VAL 44 30.791 22.435 20.779 1.00 0.00 ATOM 359 CA VAL 44 31.673 23.615 20.819 1.00 0.00 ATOM 360 CB VAL 44 31.757 24.209 22.237 1.00 0.00 ATOM 361 CG1 VAL 44 32.815 25.302 22.294 1.00 0.00 ATOM 362 CG2 VAL 44 30.404 24.756 22.667 1.00 0.00 ATOM 363 O VAL 44 33.809 24.058 19.730 1.00 0.00 ATOM 364 C VAL 44 33.094 23.266 20.334 1.00 0.00 ATOM 365 N PHE 45 33.606 22.140 20.772 1.00 0.00 ATOM 366 CA PHE 45 34.975 21.774 20.400 1.00 0.00 ATOM 367 CB PHE 45 35.470 20.613 21.264 1.00 0.00 ATOM 368 CG PHE 45 35.672 20.975 22.709 1.00 0.00 ATOM 369 CD1 PHE 45 35.771 22.302 23.098 1.00 0.00 ATOM 370 CD2 PHE 45 35.763 19.990 23.680 1.00 0.00 ATOM 371 CE1 PHE 45 35.955 22.636 24.426 1.00 0.00 ATOM 372 CE2 PHE 45 35.946 20.320 25.008 1.00 0.00 ATOM 373 CZ PHE 45 36.043 21.646 25.382 1.00 0.00 ATOM 374 O PHE 45 35.904 21.919 18.181 1.00 0.00 ATOM 375 C PHE 45 35.088 21.399 18.923 1.00 0.00 ATOM 376 N LYS 46 34.034 20.738 18.462 1.00 0.00 ATOM 377 CA LYS 46 33.902 20.323 17.051 1.00 0.00 ATOM 378 CB LYS 46 32.721 19.366 16.882 1.00 0.00 ATOM 379 CG LYS 46 32.909 18.012 17.553 1.00 0.00 ATOM 380 CD LYS 46 31.693 17.119 17.349 1.00 0.00 ATOM 381 CE LYS 46 31.888 15.758 18.001 1.00 0.00 ATOM 382 NZ LYS 46 30.701 14.880 17.821 1.00 0.00 ATOM 383 O LYS 46 33.897 21.230 14.820 1.00 0.00 ATOM 384 C LYS 46 33.726 21.437 16.025 1.00 0.00 ATOM 385 N CYS 47 33.427 22.636 16.491 1.00 0.00 ATOM 386 CA CYS 47 33.152 23.722 15.559 1.00 0.00 ATOM 387 CB CYS 47 32.052 24.547 16.197 1.00 0.00 ATOM 388 SG CYS 47 32.511 25.290 17.795 1.00 0.00 ATOM 389 O CYS 47 35.309 24.769 15.866 1.00 0.00 ATOM 390 C CYS 47 34.437 24.452 15.065 1.00 0.00 ATOM 391 N PRO 48 34.587 24.591 13.736 1.00 0.00 ATOM 392 CA PRO 48 35.790 25.157 13.098 1.00 0.00 ATOM 393 CB PRO 48 35.559 25.069 11.590 1.00 0.00 ATOM 394 CG PRO 48 34.046 25.143 11.513 1.00 0.00 ATOM 395 CD PRO 48 33.631 24.238 12.686 1.00 0.00 ATOM 396 O PRO 48 37.224 26.773 14.008 1.00 0.00 ATOM 397 C PRO 48 36.134 26.600 13.488 1.00 0.00 ATOM 398 N VAL 49 35.214 27.552 13.495 1.00 0.00 ATOM 399 CA VAL 49 35.582 28.988 13.594 1.00 0.00 ATOM 400 CB VAL 49 34.961 29.765 12.420 1.00 0.00 ATOM 401 CG1 VAL 49 35.620 31.148 12.280 1.00 0.00 ATOM 402 CG2 VAL 49 35.051 29.004 11.089 1.00 0.00 ATOM 403 O VAL 49 35.080 30.802 15.138 1.00 0.00 ATOM 404 C VAL 49 35.201 29.598 14.964 1.00 0.00 ATOM 405 N CYS 50 35.120 28.710 15.936 1.00 0.00 ATOM 406 CA CYS 50 34.767 29.011 17.338 1.00 0.00 ATOM 407 CB CYS 50 33.562 28.178 17.687 1.00 0.00 ATOM 408 SG CYS 50 32.872 28.661 19.296 1.00 0.00 ATOM 409 O CYS 50 35.906 29.411 19.400 1.00 0.00 ATOM 410 C CYS 50 35.854 28.716 18.387 1.00 0.00 ATOM 411 N GLY 51 36.573 27.619 18.274 1.00 0.00 ATOM 412 CA GLY 51 37.645 27.292 19.239 1.00 0.00 ATOM 413 O GLY 51 39.125 26.891 17.382 1.00 0.00 ATOM 414 C GLY 51 39.003 27.347 18.519 1.00 0.00 ATOM 415 N GLU 52 39.984 27.903 19.213 1.00 0.00 ATOM 416 CA GLU 52 41.311 28.211 18.635 1.00 0.00 ATOM 417 CB GLU 52 42.204 28.889 19.676 1.00 0.00 ATOM 418 CG GLU 52 43.583 29.280 19.162 1.00 0.00 ATOM 419 CD GLU 52 44.407 29.921 20.244 1.00 0.00 ATOM 420 OE1 GLU 52 43.912 30.065 21.335 1.00 0.00 ATOM 421 OE2 GLU 52 45.568 30.165 20.013 1.00 0.00 ATOM 422 O GLU 52 42.227 26.866 16.864 1.00 0.00 ATOM 423 C GLU 52 42.054 26.994 18.081 1.00 0.00 ATOM 424 N GLU 53 42.259 25.996 18.947 1.00 0.00 ATOM 425 CA GLU 53 42.973 24.773 18.550 1.00 0.00 ATOM 426 CB GLU 53 43.166 23.850 19.756 1.00 0.00 ATOM 427 CG GLU 53 44.170 24.358 20.781 1.00 0.00 ATOM 428 CD GLU 53 44.226 23.458 21.983 1.00 0.00 ATOM 429 OE1 GLU 53 43.463 22.523 22.038 1.00 0.00 ATOM 430 OE2 GLU 53 45.105 23.635 22.793 1.00 0.00 ATOM 431 O GLU 53 42.889 23.473 16.516 1.00 0.00 ATOM 432 C GLU 53 42.269 23.989 17.435 1.00 0.00 ATOM 433 N PHE 54 40.930 24.008 17.464 1.00 0.00 ATOM 434 CA PHE 54 40.087 23.355 16.432 1.00 0.00 ATOM 435 CB PHE 54 38.636 23.323 16.889 1.00 0.00 ATOM 436 CG PHE 54 38.547 22.887 18.348 1.00 0.00 ATOM 437 CD1 PHE 54 38.756 21.567 18.682 1.00 0.00 ATOM 438 CD2 PHE 54 38.316 23.819 19.332 1.00 0.00 ATOM 439 CE1 PHE 54 38.732 21.158 20.011 1.00 0.00 ATOM 440 CE2 PHE 54 38.293 23.420 20.660 1.00 0.00 ATOM 441 CZ PHE 54 38.500 22.100 21.004 1.00 0.00 ATOM 442 O PHE 54 40.495 23.492 14.063 1.00 0.00 ATOM 443 C PHE 54 40.160 24.084 15.086 1.00 0.00 ATOM 444 N TYR 55 39.982 25.394 15.125 1.00 0.00 ATOM 445 CA TYR 55 40.091 26.226 13.905 1.00 0.00 ATOM 446 CB TYR 55 39.899 27.703 14.273 1.00 0.00 ATOM 447 CG TYR 55 39.823 28.624 13.057 1.00 0.00 ATOM 448 CD1 TYR 55 40.753 29.642 13.018 1.00 0.00 ATOM 449 CD2 TYR 55 38.840 28.581 12.076 1.00 0.00 ATOM 450 CE1 TYR 55 40.724 30.608 12.034 1.00 0.00 ATOM 451 CE2 TYR 55 38.791 29.558 11.088 1.00 0.00 ATOM 452 CZ TYR 55 39.737 30.576 11.073 1.00 0.00 ATOM 453 OH TYR 55 39.729 31.493 10.083 1.00 0.00 ATOM 454 O TYR 55 41.545 26.213 11.993 1.00 0.00 ATOM 455 C TYR 55 41.447 26.051 13.210 1.00 0.00 ATOM 456 N GLY 56 42.463 25.830 14.040 1.00 0.00 ATOM 457 CA GLY 56 43.847 25.672 13.575 1.00 0.00 ATOM 458 O GLY 56 45.843 26.984 13.315 1.00 0.00 ATOM 459 C GLY 56 44.635 26.989 13.563 1.00 0.00 ATOM 460 N LYS 57 43.912 28.105 13.645 1.00 0.00 ATOM 461 CA LYS 57 44.503 29.452 13.707 1.00 0.00 ATOM 462 CB LYS 57 44.162 30.246 12.445 1.00 0.00 ATOM 463 CG LYS 57 44.776 29.690 11.168 1.00 0.00 ATOM 464 CD LYS 57 44.422 30.550 9.963 1.00 0.00 ATOM 465 CE LYS 57 45.043 30.000 8.687 1.00 0.00 ATOM 466 NZ LYS 57 44.718 30.842 7.504 1.00 0.00 ATOM 467 O LYS 57 42.887 29.919 15.425 1.00 0.00 ATOM 468 C LYS 57 44.000 30.168 14.960 1.00 0.00 ATOM 469 N THR 58 44.795 31.116 15.427 1.00 0.00 ATOM 470 CA THR 58 44.426 31.912 16.611 1.00 0.00 ATOM 471 CB THR 58 45.552 32.881 17.014 1.00 0.00 ATOM 472 CG2 THR 58 45.159 33.670 18.254 1.00 0.00 ATOM 473 OG1 THR 58 46.750 32.141 17.284 1.00 0.00 ATOM 474 O THR 58 43.008 33.429 15.340 1.00 0.00 ATOM 475 C THR 58 43.137 32.693 16.318 1.00 0.00 ATOM 476 N LEU 59 42.160 32.505 17.184 1.00 0.00 ATOM 477 CA LEU 59 40.878 33.220 17.025 1.00 0.00 ATOM 478 CB LEU 59 39.721 32.350 17.496 1.00 0.00 ATOM 479 CG LEU 59 39.489 31.118 16.665 1.00 0.00 ATOM 480 CD1 LEU 59 38.497 30.329 17.491 1.00 0.00 ATOM 481 CD2 LEU 59 38.820 31.470 15.338 1.00 0.00 ATOM 482 O LEU 59 41.713 34.758 18.678 1.00 0.00 ATOM 483 C LEU 59 40.854 34.529 17.806 1.00 0.00 ATOM 484 N PRO 60 39.979 35.472 17.415 1.00 0.00 ATOM 485 CA PRO 60 39.918 36.787 18.066 1.00 0.00 ATOM 486 CB PRO 60 38.841 37.560 17.304 1.00 0.00 ATOM 487 CG PRO 60 38.837 36.877 15.934 1.00 0.00 ATOM 488 CD PRO 60 39.047 35.406 16.271 1.00 0.00 ATOM 489 O PRO 60 38.660 35.970 19.922 1.00 0.00 ATOM 490 C PRO 60 39.637 36.590 19.555 1.00 0.00 ATOM 491 N ARG 61 40.533 37.138 20.375 1.00 0.00 ATOM 492 CA ARG 61 40.547 36.833 21.821 1.00 0.00 ATOM 493 CB ARG 61 41.696 37.560 22.523 1.00 0.00 ATOM 494 CG ARG 61 41.698 37.276 24.026 1.00 0.00 ATOM 495 CD ARG 61 42.831 38.042 24.653 1.00 0.00 ATOM 496 NE ARG 61 42.810 37.897 26.108 1.00 0.00 ATOM 497 CZ ARG 61 43.724 38.464 26.881 1.00 0.00 ATOM 498 NH1 ARG 61 44.671 39.211 26.403 1.00 0.00 ATOM 499 NH2 ARG 61 43.822 38.245 28.147 1.00 0.00 ATOM 500 O ARG 61 38.388 36.315 22.713 1.00 0.00 ATOM 501 C ARG 61 39.222 37.187 22.497 1.00 0.00 ATOM 502 N ARG 62 38.955 38.496 22.519 1.00 0.00 ATOM 503 CA ARG 62 37.790 39.023 23.252 1.00 0.00 ATOM 504 CB ARG 62 37.816 40.541 23.354 1.00 0.00 ATOM 505 CG ARG 62 38.884 41.102 24.278 1.00 0.00 ATOM 506 CD ARG 62 38.725 42.545 24.593 1.00 0.00 ATOM 507 NE ARG 62 38.887 43.433 23.453 1.00 0.00 ATOM 508 CZ ARG 62 40.068 43.923 23.026 1.00 0.00 ATOM 509 NH1 ARG 62 41.185 43.646 23.661 1.00 0.00 ATOM 510 NH2 ARG 62 40.070 44.710 21.964 1.00 0.00 ATOM 511 O ARG 62 35.542 38.186 23.412 1.00 0.00 ATOM 512 C ARG 62 36.452 38.547 22.671 1.00 0.00 ATOM 513 N GLU 63 36.420 38.375 21.355 1.00 0.00 ATOM 514 CA GLU 63 35.234 37.838 20.673 1.00 0.00 ATOM 515 CB GLU 63 35.381 37.973 19.155 1.00 0.00 ATOM 516 CG GLU 63 35.373 39.408 18.649 1.00 0.00 ATOM 517 CD GLU 63 36.718 40.058 18.824 1.00 0.00 ATOM 518 OE1 GLU 63 37.626 39.390 19.256 1.00 0.00 ATOM 519 OE2 GLU 63 36.867 41.187 18.421 1.00 0.00 ATOM 520 O GLU 63 33.878 36.014 21.452 1.00 0.00 ATOM 521 C GLU 63 34.971 36.374 21.032 1.00 0.00 ATOM 522 N ALA 64 36.037 35.592 20.998 1.00 0.00 ATOM 523 CA ALA 64 35.985 34.182 21.427 1.00 0.00 ATOM 524 CB ALA 64 37.296 33.466 21.112 1.00 0.00 ATOM 525 O ALA 64 34.853 33.175 23.270 1.00 0.00 ATOM 526 C ALA 64 35.643 34.034 22.913 1.00 0.00 ATOM 527 N GLU 65 36.124 34.968 23.737 1.00 0.00 ATOM 528 CA GLU 65 35.817 35.030 25.184 1.00 0.00 ATOM 529 CB GLU 65 36.688 36.085 25.872 1.00 0.00 ATOM 530 CG GLU 65 38.160 35.714 25.976 1.00 0.00 ATOM 531 CD GLU 65 38.966 36.838 26.563 1.00 0.00 ATOM 532 OE1 GLU 65 38.407 37.881 26.808 1.00 0.00 ATOM 533 OE2 GLU 65 40.115 36.622 26.871 1.00 0.00 ATOM 534 O GLU 65 33.704 34.596 26.206 1.00 0.00 ATOM 535 C GLU 65 34.336 35.334 25.455 1.00 0.00 ATOM 536 N LYS 66 33.758 36.158 24.583 1.00 0.00 ATOM 537 CA LYS 66 32.304 36.414 24.555 1.00 0.00 ATOM 538 CB LYS 66 31.975 37.519 23.550 1.00 0.00 ATOM 539 CG LYS 66 32.437 38.909 23.969 1.00 0.00 ATOM 540 CD LYS 66 32.074 39.952 22.923 1.00 0.00 ATOM 541 CE LYS 66 32.561 41.335 23.327 1.00 0.00 ATOM 542 NZ LYS 66 32.239 42.361 22.299 1.00 0.00 ATOM 543 O LYS 66 30.582 34.756 24.894 1.00 0.00 ATOM 544 C LYS 66 31.532 35.138 24.212 1.00 0.00 ATOM 545 N VAL 67 32.045 34.409 23.226 1.00 0.00 ATOM 546 CA VAL 67 31.512 33.085 22.858 1.00 0.00 ATOM 547 CB VAL 67 32.298 32.563 21.656 1.00 0.00 ATOM 548 CG1 VAL 67 32.072 31.056 21.452 1.00 0.00 ATOM 549 CG2 VAL 67 31.903 33.350 20.412 1.00 0.00 ATOM 550 O VAL 67 30.633 31.382 24.337 1.00 0.00 ATOM 551 C VAL 67 31.571 32.124 24.062 1.00 0.00 ATOM 552 N PHE 68 32.736 32.079 24.682 1.00 0.00 ATOM 553 CA PHE 68 32.997 31.199 25.831 1.00 0.00 ATOM 554 CB PHE 68 34.441 31.382 26.255 1.00 0.00 ATOM 555 CG PHE 68 35.469 30.927 25.219 1.00 0.00 ATOM 556 CD1 PHE 68 35.119 30.157 24.121 1.00 0.00 ATOM 557 CD2 PHE 68 36.787 31.353 25.380 1.00 0.00 ATOM 558 CE1 PHE 68 36.061 29.822 23.157 1.00 0.00 ATOM 559 CE2 PHE 68 37.729 31.008 24.416 1.00 0.00 ATOM 560 CZ PHE 68 37.368 30.258 23.316 1.00 0.00 ATOM 561 O PHE 68 31.448 30.566 27.546 1.00 0.00 ATOM 562 C PHE 68 32.068 31.489 27.002 1.00 0.00 ATOM 563 N GLU 69 31.896 32.774 27.277 1.00 0.00 ATOM 564 CA GLU 69 30.968 33.231 28.321 1.00 0.00 ATOM 565 CB GLU 69 31.156 34.727 28.588 1.00 0.00 ATOM 566 CG GLU 69 32.462 35.082 29.282 1.00 0.00 ATOM 567 CD GLU 69 32.625 36.571 29.410 1.00 0.00 ATOM 568 OE1 GLU 69 31.787 37.286 28.916 1.00 0.00 ATOM 569 OE2 GLU 69 33.525 36.994 30.097 1.00 0.00 ATOM 570 O GLU 69 28.783 32.351 28.739 1.00 0.00 ATOM 571 C GLU 69 29.506 32.949 27.947 1.00 0.00 ATOM 572 N LEU 70 29.211 33.075 26.656 1.00 0.00 ATOM 573 CA LEU 70 27.869 32.770 26.132 1.00 0.00 ATOM 574 CB LEU 70 27.788 33.131 24.643 1.00 0.00 ATOM 575 CG LEU 70 26.430 32.862 23.980 1.00 0.00 ATOM 576 CD1 LEU 70 25.320 33.545 24.767 1.00 0.00 ATOM 577 CD2 LEU 70 26.459 33.361 22.543 1.00 0.00 ATOM 578 O LEU 70 26.402 30.931 26.748 1.00 0.00 ATOM 579 C LEU 70 27.504 31.292 26.339 1.00 0.00 ATOM 580 N LEU 71 28.479 30.443 26.035 1.00 0.00 ATOM 581 CA LEU 71 28.325 28.995 26.201 1.00 0.00 ATOM 582 CB LEU 71 29.584 28.268 25.712 1.00 0.00 ATOM 583 CG LEU 71 29.809 28.300 24.195 1.00 0.00 ATOM 584 CD1 LEU 71 31.241 27.900 23.870 1.00 0.00 ATOM 585 CD2 LEU 71 28.821 27.363 23.515 1.00 0.00 ATOM 586 O LEU 71 27.177 27.786 27.933 1.00 0.00 ATOM 587 C LEU 71 28.032 28.617 27.660 1.00 0.00 ATOM 588 N ASN 72 28.778 29.236 28.563 1.00 0.00 ATOM 589 CA ASN 72 28.530 28.978 29.988 1.00 0.00 ATOM 590 CB ASN 72 29.606 29.598 30.859 1.00 0.00 ATOM 591 CG ASN 72 30.926 28.881 30.796 1.00 0.00 ATOM 592 ND2 ASN 72 31.956 29.550 31.248 1.00 0.00 ATOM 593 OD1 ASN 72 30.999 27.708 30.411 1.00 0.00 ATOM 594 O ASN 72 26.438 28.695 31.102 1.00 0.00 ATOM 595 C ASN 72 27.161 29.467 30.459 1.00 0.00 ATOM 596 N ASP 73 26.750 30.642 29.967 1.00 0.00 ATOM 597 CA ASP 73 25.419 31.187 30.292 1.00 0.00 ATOM 598 CB ASP 73 25.283 32.618 29.765 1.00 0.00 ATOM 599 CG ASP 73 26.075 33.655 30.547 1.00 0.00 ATOM 600 OD1 ASP 73 26.539 33.337 31.617 1.00 0.00 ATOM 601 OD2 ASP 73 26.346 34.700 30.006 1.00 0.00 ATOM 602 O ASP 73 23.354 29.973 30.475 1.00 0.00 ATOM 603 C ASP 73 24.264 30.333 29.734 1.00 0.00 ATOM 604 N PHE 74 24.551 29.718 28.591 1.00 0.00 ATOM 605 CA PHE 74 23.616 28.774 27.955 1.00 0.00 ATOM 606 CB PHE 74 24.177 28.466 26.582 1.00 0.00 ATOM 607 CG PHE 74 23.171 27.736 25.714 1.00 0.00 ATOM 608 CD1 PHE 74 22.157 28.463 25.107 1.00 0.00 ATOM 609 CD2 PHE 74 23.287 26.372 25.522 1.00 0.00 ATOM 610 CE1 PHE 74 21.240 27.805 24.305 1.00 0.00 ATOM 611 CE2 PHE 74 22.372 25.724 24.710 1.00 0.00 ATOM 612 CZ PHE 74 21.356 26.441 24.113 1.00 0.00 ATOM 613 O PHE 74 22.436 27.000 29.093 1.00 0.00 ATOM 614 C PHE 74 23.509 27.482 28.768 1.00 0.00 ATOM 615 N LYS 75 24.681 26.973 29.176 1.00 0.00 ATOM 616 CA LYS 75 24.762 25.763 30.012 1.00 0.00 ATOM 617 CB LYS 75 26.223 25.444 30.329 1.00 0.00 ATOM 618 CG LYS 75 26.980 24.881 29.121 1.00 0.00 ATOM 619 CD LYS 75 28.408 24.493 29.504 1.00 0.00 ATOM 620 CE LYS 75 29.097 23.880 28.284 1.00 0.00 ATOM 621 NZ LYS 75 30.504 23.599 28.559 1.00 0.00 ATOM 622 O LYS 75 23.124 25.068 31.660 1.00 0.00 ATOM 623 C LYS 75 23.933 25.917 31.307 1.00 0.00 ATOM 624 N GLY 76 24.091 27.084 31.942 1.00 0.00 ATOM 625 CA GLY 76 23.345 27.486 33.156 1.00 0.00 ATOM 626 O GLY 76 21.060 27.674 33.917 1.00 0.00 ATOM 627 C GLY 76 21.831 27.738 32.963 1.00 0.00 ATOM 628 N GLY 77 21.431 28.005 31.730 1.00 0.00 ATOM 629 CA GLY 77 20.023 28.304 31.404 1.00 0.00 ATOM 630 O GLY 77 18.106 27.312 30.368 1.00 0.00 ATOM 631 C GLY 77 19.253 27.132 30.774 1.00 0.00 ATOM 632 N ILE 78 19.816 25.940 30.898 1.00 0.00 ATOM 633 CA ILE 78 19.171 24.702 30.415 1.00 0.00 ATOM 634 CB ILE 78 20.109 23.898 29.496 1.00 0.00 ATOM 635 CG1 ILE 78 20.610 24.775 28.346 1.00 0.00 ATOM 636 CG2 ILE 78 19.397 22.666 28.958 1.00 0.00 ATOM 637 CD1 ILE 78 21.849 24.240 27.665 1.00 0.00 ATOM 638 O ILE 78 19.535 23.747 32.583 1.00 0.00 ATOM 639 C ILE 78 18.766 23.877 31.639 1.00 0.00 ATOM 640 N ASP 79 17.619 23.243 31.506 1.00 0.00 ATOM 641 CA ASP 79 17.099 22.333 32.537 1.00 0.00 ATOM 642 CB ASP 79 16.479 23.126 33.690 1.00 0.00 ATOM 643 CG ASP 79 15.240 23.925 33.308 1.00 0.00 ATOM 644 OD1 ASP 79 14.225 23.323 33.049 1.00 0.00 ATOM 645 OD2 ASP 79 15.271 25.126 33.431 1.00 0.00 ATOM 646 O ASP 79 15.739 21.497 30.707 1.00 0.00 ATOM 647 C ASP 79 16.074 21.388 31.894 1.00 0.00 ATOM 648 N TRP 80 15.955 20.232 32.549 1.00 0.00 ATOM 649 CA TRP 80 15.112 19.152 32.025 1.00 0.00 ATOM 650 CB TRP 80 15.872 17.820 32.087 1.00 0.00 ATOM 651 CG TRP 80 15.028 16.602 31.689 1.00 0.00 ATOM 652 CD1 TRP 80 14.636 15.669 32.531 1.00 0.00 ATOM 653 CD2 TRP 80 14.545 16.268 30.453 1.00 0.00 ATOM 654 CE2 TRP 80 13.827 15.095 30.617 1.00 0.00 ATOM 655 CE3 TRP 80 14.624 16.859 29.193 1.00 0.00 ATOM 656 NE1 TRP 80 13.903 14.757 31.902 1.00 0.00 ATOM 657 CZ2 TRP 80 13.183 14.514 29.550 1.00 0.00 ATOM 658 CZ3 TRP 80 13.980 16.277 28.126 1.00 0.00 ATOM 659 CH2 TRP 80 13.262 15.094 28.290 1.00 0.00 ATOM 660 O TRP 80 13.875 19.230 34.078 1.00 0.00 ATOM 661 C TRP 80 13.835 19.150 32.850 1.00 0.00 ATOM 662 N GLU 81 12.739 19.303 32.129 1.00 0.00 ATOM 663 CA GLU 81 11.392 19.385 32.725 1.00 0.00 ATOM 664 CB GLU 81 10.839 20.807 32.606 1.00 0.00 ATOM 665 CG GLU 81 9.473 21.006 33.247 1.00 0.00 ATOM 666 CD GLU 81 9.108 22.463 33.313 1.00 0.00 ATOM 667 OE1 GLU 81 9.003 23.077 32.278 1.00 0.00 ATOM 668 OE2 GLU 81 8.823 22.935 34.388 1.00 0.00 ATOM 669 O GLU 81 10.071 18.559 30.903 1.00 0.00 ATOM 670 C GLU 81 10.453 18.390 32.059 1.00 0.00 ATOM 671 N ASN 82 10.065 17.385 32.832 1.00 0.00 ATOM 672 CA ASN 82 9.154 16.335 32.346 1.00 0.00 ATOM 673 CB ASN 82 7.802 16.908 31.962 1.00 0.00 ATOM 674 CG ASN 82 7.028 17.462 33.125 1.00 0.00 ATOM 675 ND2 ASN 82 6.074 18.303 32.818 1.00 0.00 ATOM 676 OD1 ASN 82 7.241 17.076 34.280 1.00 0.00 ATOM 677 O ASN 82 10.805 14.925 31.318 1.00 0.00 ATOM 678 C ASN 82 9.778 15.582 31.158 1.00 0.00 ATOM 679 N LYS 83 9.258 15.819 29.964 1.00 0.00 ATOM 680 CA LYS 83 9.796 15.224 28.736 1.00 0.00 ATOM 681 CB LYS 83 8.740 14.349 28.058 1.00 0.00 ATOM 682 CG LYS 83 8.330 13.122 28.861 1.00 0.00 ATOM 683 CD LYS 83 7.288 12.297 28.120 1.00 0.00 ATOM 684 CE LYS 83 6.786 11.142 28.972 1.00 0.00 ATOM 685 NZ LYS 83 5.759 10.332 28.262 1.00 0.00 ATOM 686 O LYS 83 10.416 16.067 26.544 1.00 0.00 ATOM 687 C LYS 83 10.295 16.305 27.748 1.00 0.00 ATOM 688 N ARG 84 10.595 17.481 28.278 1.00 0.00 ATOM 689 CA ARG 84 11.078 18.626 27.479 1.00 0.00 ATOM 690 CB ARG 84 10.016 19.704 27.322 1.00 0.00 ATOM 691 CG ARG 84 8.787 19.281 26.533 1.00 0.00 ATOM 692 CD ARG 84 7.757 20.342 26.388 1.00 0.00 ATOM 693 NE ARG 84 7.075 20.693 27.624 1.00 0.00 ATOM 694 CZ ARG 84 6.251 21.749 27.769 1.00 0.00 ATOM 695 NH1 ARG 84 6.032 22.579 26.773 1.00 0.00 ATOM 696 NH2 ARG 84 5.684 21.941 28.947 1.00 0.00 ATOM 697 O ARG 84 12.535 19.372 29.237 1.00 0.00 ATOM 698 C ARG 84 12.370 19.221 28.028 1.00 0.00 ATOM 699 N VAL 85 13.108 19.836 27.106 1.00 0.00 ATOM 700 CA VAL 85 14.261 20.665 27.460 1.00 0.00 ATOM 701 CB VAL 85 15.386 20.544 26.416 1.00 0.00 ATOM 702 CG1 VAL 85 16.549 21.457 26.777 1.00 0.00 ATOM 703 CG2 VAL 85 15.858 19.103 26.305 1.00 0.00 ATOM 704 O VAL 85 13.181 22.708 26.679 1.00 0.00 ATOM 705 C VAL 85 13.780 22.124 27.581 1.00 0.00 ATOM 706 N LYS 86 14.039 22.685 28.748 1.00 0.00 ATOM 707 CA LYS 86 13.663 24.078 29.022 1.00 0.00 ATOM 708 CB LYS 86 12.992 24.193 30.391 1.00 0.00 ATOM 709 CG LYS 86 12.478 25.587 30.727 1.00 0.00 ATOM 710 CD LYS 86 11.854 25.629 32.113 1.00 0.00 ATOM 711 CE LYS 86 11.336 27.020 32.446 1.00 0.00 ATOM 712 NZ LYS 86 10.713 27.073 33.796 1.00 0.00 ATOM 713 O LYS 86 15.931 24.742 29.572 1.00 0.00 ATOM 714 C LYS 86 14.907 24.978 28.944 1.00 0.00 ATOM 715 N LEU 87 14.828 25.915 28.012 1.00 0.00 ATOM 716 CA LEU 87 15.955 26.840 27.748 1.00 0.00 ATOM 717 CB LEU 87 16.512 26.701 26.330 1.00 0.00 ATOM 718 CG LEU 87 17.552 27.762 25.975 1.00 0.00 ATOM 719 CD1 LEU 87 18.852 27.542 26.758 1.00 0.00 ATOM 720 CD2 LEU 87 17.787 27.788 24.472 1.00 0.00 ATOM 721 O LEU 87 14.512 28.700 27.441 1.00 0.00 ATOM 722 C LEU 87 15.516 28.271 27.969 1.00 0.00 ATOM 723 N LYS 88 16.156 28.959 28.890 1.00 0.00 ATOM 724 CA LYS 88 15.778 30.363 29.173 1.00 0.00 ATOM 725 CB LYS 88 16.696 30.947 30.242 1.00 0.00 ATOM 726 CG LYS 88 16.462 30.247 31.577 1.00 0.00 ATOM 727 CD LYS 88 17.384 30.861 32.625 1.00 0.00 ATOM 728 CE LYS 88 17.255 30.101 33.942 1.00 0.00 ATOM 729 NZ LYS 88 18.124 30.723 34.949 1.00 0.00 ATOM 730 O LYS 88 16.762 31.143 27.104 1.00 0.00 ATOM 731 C LYS 88 15.833 31.234 27.912 1.00 0.00 ATOM 732 N LEU 89 14.847 32.122 27.786 1.00 0.00 ATOM 733 CA LEU 89 14.799 33.035 26.636 1.00 0.00 ATOM 734 CB LEU 89 13.489 33.832 26.648 1.00 0.00 ATOM 735 CG LEU 89 12.223 33.012 26.373 1.00 0.00 ATOM 736 CD1 LEU 89 10.986 33.878 26.574 1.00 0.00 ATOM 737 CD2 LEU 89 12.270 32.460 24.957 1.00 0.00 ATOM 738 O LEU 89 16.417 34.372 25.479 1.00 0.00 ATOM 739 C LEU 89 15.953 34.013 26.549 1.00 0.00 ATOM 740 N ASN 90 16.437 34.376 27.723 1.00 0.00 ATOM 741 CA ASN 90 17.597 35.259 27.823 1.00 0.00 ATOM 742 CB ASN 90 17.913 35.600 29.268 1.00 0.00 ATOM 743 CG ASN 90 16.935 36.559 29.891 1.00 0.00 ATOM 744 ND2 ASN 90 16.967 36.628 31.197 1.00 0.00 ATOM 745 OD1 ASN 90 16.214 37.281 29.193 1.00 0.00 ATOM 746 O ASN 90 19.592 35.436 26.530 1.00 0.00 ATOM 747 C ASN 90 18.851 34.684 27.159 1.00 0.00 ATOM 748 N ASP 91 18.946 33.355 27.186 1.00 0.00 ATOM 749 CA ASP 91 20.040 32.639 26.515 1.00 0.00 ATOM 750 CB ASP 91 20.020 31.155 26.890 1.00 0.00 ATOM 751 CG ASP 91 20.473 30.859 28.313 1.00 0.00 ATOM 752 OD1 ASP 91 20.847 31.780 29.000 1.00 0.00 ATOM 753 OD2 ASP 91 20.295 29.749 28.753 1.00 0.00 ATOM 754 O ASP 91 20.918 33.236 24.378 1.00 0.00 ATOM 755 C ASP 91 19.951 32.802 24.997 1.00 0.00 ATOM 756 N LEU 92 18.741 32.678 24.463 1.00 0.00 ATOM 757 CA LEU 92 18.516 32.851 23.011 1.00 0.00 ATOM 758 CB LEU 92 17.110 32.419 22.620 1.00 0.00 ATOM 759 CG LEU 92 16.764 30.960 22.831 1.00 0.00 ATOM 760 CD1 LEU 92 15.274 30.790 22.541 1.00 0.00 ATOM 761 CD2 LEU 92 17.563 30.104 21.852 1.00 0.00 ATOM 762 O LEU 92 19.437 34.485 21.532 1.00 0.00 ATOM 763 C LEU 92 18.750 34.292 22.535 1.00 0.00 ATOM 764 N LEU 93 18.329 35.258 23.340 1.00 0.00 ATOM 765 CA LEU 93 18.541 36.683 23.033 1.00 0.00 ATOM 766 CB LEU 93 17.796 37.560 24.046 1.00 0.00 ATOM 767 CG LEU 93 16.265 37.523 23.942 1.00 0.00 ATOM 768 CD1 LEU 93 15.644 38.281 25.107 1.00 0.00 ATOM 769 CD2 LEU 93 15.831 38.123 22.614 1.00 0.00 ATOM 770 O LEU 93 20.562 37.518 22.035 1.00 0.00 ATOM 771 C LEU 93 20.035 37.017 23.025 1.00 0.00 ATOM 772 N ALA 94 20.731 36.446 24.006 1.00 0.00 ATOM 773 CA ALA 94 22.195 36.532 24.120 1.00 0.00 ATOM 774 CB ALA 94 22.575 35.877 25.429 1.00 0.00 ATOM 775 O ALA 94 23.845 36.365 22.361 1.00 0.00 ATOM 776 C ALA 94 22.906 35.830 22.948 1.00 0.00 ATOM 777 N LEU 95 22.353 34.694 22.511 1.00 0.00 ATOM 778 CA LEU 95 22.888 33.951 21.357 1.00 0.00 ATOM 779 CB LEU 95 22.151 32.616 21.198 1.00 0.00 ATOM 780 CG LEU 95 22.285 31.651 22.383 1.00 0.00 ATOM 781 CD1 LEU 95 21.367 30.452 22.186 1.00 0.00 ATOM 782 CD2 LEU 95 23.734 31.205 22.513 1.00 0.00 ATOM 783 O LEU 95 23.748 34.941 19.340 1.00 0.00 ATOM 784 C LEU 95 22.773 34.790 20.084 1.00 0.00 ATOM 785 N GLU 96 21.626 35.436 19.912 1.00 0.00 ATOM 786 CA GLU 96 21.392 36.347 18.778 1.00 0.00 ATOM 787 CB GLU 96 19.934 36.812 18.756 1.00 0.00 ATOM 788 CG GLU 96 18.934 35.730 18.375 1.00 0.00 ATOM 789 CD GLU 96 17.521 36.224 18.497 1.00 0.00 ATOM 790 OE1 GLU 96 17.335 37.336 18.931 1.00 0.00 ATOM 791 OE2 GLU 96 16.631 35.537 18.054 1.00 0.00 ATOM 792 O GLU 96 22.897 37.907 17.768 1.00 0.00 ATOM 793 C GLU 96 22.309 37.576 18.793 1.00 0.00 ATOM 794 N THR 97 22.513 38.146 19.980 1.00 0.00 ATOM 795 CA THR 97 23.379 39.339 20.160 1.00 0.00 ATOM 796 CB THR 97 23.309 39.877 21.601 1.00 0.00 ATOM 797 CG2 THR 97 24.245 41.064 21.773 1.00 0.00 ATOM 798 OG1 THR 97 21.966 40.284 21.897 1.00 0.00 ATOM 799 O THR 97 25.503 39.742 19.079 1.00 0.00 ATOM 800 C THR 97 24.834 39.014 19.813 1.00 0.00 ATOM 801 N MET 98 25.268 37.849 20.288 1.00 0.00 ATOM 802 CA MET 98 26.637 37.385 20.030 1.00 0.00 ATOM 803 CB MET 98 26.937 36.138 20.860 1.00 0.00 ATOM 804 CG MET 98 28.333 35.565 20.655 1.00 0.00 ATOM 805 SD MET 98 29.614 36.559 21.445 1.00 0.00 ATOM 806 CE MET 98 30.245 37.475 20.041 1.00 0.00 ATOM 807 O MET 98 27.903 37.478 18.030 1.00 0.00 ATOM 808 C MET 98 26.871 37.091 18.554 1.00 0.00 ATOM 809 N LEU 99 25.878 36.526 17.878 1.00 0.00 ATOM 810 CA LEU 99 25.945 36.262 16.421 1.00 0.00 ATOM 811 CB LEU 99 24.704 35.484 15.965 1.00 0.00 ATOM 812 CG LEU 99 24.549 35.333 14.446 1.00 0.00 ATOM 813 CD1 LEU 99 25.734 34.566 13.875 1.00 0.00 ATOM 814 CD2 LEU 99 23.244 34.617 14.136 1.00 0.00 ATOM 815 O LEU 99 26.935 37.691 14.755 1.00 0.00 ATOM 816 C LEU 99 26.079 37.564 15.623 1.00 0.00 ATOM 817 N GLU 100 25.294 38.547 16.042 1.00 0.00 ATOM 818 CA GLU 100 25.326 39.894 15.458 1.00 0.00 ATOM 819 CB GLU 100 24.295 40.797 16.138 1.00 0.00 ATOM 820 CG GLU 100 24.228 42.210 15.576 1.00 0.00 ATOM 821 CD GLU 100 23.217 43.044 16.312 1.00 0.00 ATOM 822 OE1 GLU 100 22.592 42.531 17.208 1.00 0.00 ATOM 823 OE2 GLU 100 23.151 44.224 16.057 1.00 0.00 ATOM 824 O GLU 100 27.321 40.911 14.584 1.00 0.00 ATOM 825 C GLU 100 26.730 40.490 15.580 1.00 0.00 ATOM 826 N GLU 101 27.174 40.594 16.823 1.00 0.00 ATOM 827 CA GLU 101 28.494 41.134 17.175 1.00 0.00 ATOM 828 CB GLU 101 28.660 41.196 18.695 1.00 0.00 ATOM 829 CG GLU 101 27.808 42.258 19.378 1.00 0.00 ATOM 830 CD GLU 101 27.938 42.184 20.874 1.00 0.00 ATOM 831 OE1 GLU 101 28.605 41.297 21.349 1.00 0.00 ATOM 832 OE2 GLU 101 27.465 43.077 21.536 1.00 0.00 ATOM 833 O GLU 101 30.556 40.924 15.985 1.00 0.00 ATOM 834 C GLU 101 29.657 40.330 16.580 1.00 0.00 ATOM 835 N TRP 102 29.470 39.017 16.533 1.00 0.00 ATOM 836 CA TRP 102 30.448 38.072 15.956 1.00 0.00 ATOM 837 CB TRP 102 30.016 36.629 16.224 1.00 0.00 ATOM 838 CG TRP 102 30.939 35.607 15.630 1.00 0.00 ATOM 839 CD1 TRP 102 30.693 34.819 14.546 1.00 0.00 ATOM 840 CD2 TRP 102 32.254 35.267 16.085 1.00 0.00 ATOM 841 CE2 TRP 102 32.744 34.265 15.230 1.00 0.00 ATOM 842 CE3 TRP 102 33.065 35.716 17.135 1.00 0.00 ATOM 843 NE1 TRP 102 31.771 34.007 14.298 1.00 0.00 ATOM 844 CZ2 TRP 102 34.001 33.702 15.389 1.00 0.00 ATOM 845 CZ3 TRP 102 34.325 35.152 17.294 1.00 0.00 ATOM 846 CH2 TRP 102 34.780 34.174 16.446 1.00 0.00 ATOM 847 O TRP 102 31.710 38.546 13.997 1.00 0.00 ATOM 848 C TRP 102 30.609 38.307 14.454 1.00 0.00 ATOM 849 N ASP 103 29.473 38.441 13.776 1.00 0.00 ATOM 850 CA ASP 103 29.464 38.686 12.313 1.00 0.00 ATOM 851 CB ASP 103 28.033 38.642 11.771 1.00 0.00 ATOM 852 CG ASP 103 27.425 37.246 11.712 1.00 0.00 ATOM 853 OD1 ASP 103 28.157 36.295 11.857 1.00 0.00 ATOM 854 OD2 ASP 103 26.222 37.145 11.679 1.00 0.00 ATOM 855 O ASP 103 30.968 40.131 11.102 1.00 0.00 ATOM 856 C ASP 103 30.118 40.034 11.990 1.00 0.00 ATOM 857 N ARG 104 29.789 41.041 12.791 1.00 0.00 ATOM 858 CA ARG 104 30.389 42.383 12.642 1.00 0.00 ATOM 859 CB ARG 104 29.739 43.409 13.559 1.00 0.00 ATOM 860 CG ARG 104 28.318 43.794 13.180 1.00 0.00 ATOM 861 CD ARG 104 27.686 44.779 14.096 1.00 0.00 ATOM 862 NE ARG 104 26.314 45.121 13.758 1.00 0.00 ATOM 863 CZ ARG 104 25.541 45.971 14.464 1.00 0.00 ATOM 864 NH1 ARG 104 25.987 46.537 15.564 1.00 0.00 ATOM 865 NH2 ARG 104 24.314 46.202 14.034 1.00 0.00 ATOM 866 O ARG 104 32.617 42.827 11.977 1.00 0.00 ATOM 867 C ARG 104 31.900 42.341 12.839 1.00 0.00 ATOM 868 N ARG 105 32.325 41.772 13.961 1.00 0.00 ATOM 869 CA ARG 105 33.757 41.622 14.258 1.00 0.00 ATOM 870 CB ARG 105 33.999 41.086 15.661 1.00 0.00 ATOM 871 CG ARG 105 33.546 42.004 16.785 1.00 0.00 ATOM 872 CD ARG 105 34.324 43.264 16.897 1.00 0.00 ATOM 873 NE ARG 105 33.954 44.103 18.026 1.00 0.00 ATOM 874 CZ ARG 105 34.431 45.343 18.246 1.00 0.00 ATOM 875 NH1 ARG 105 35.321 45.880 17.441 1.00 0.00 ATOM 876 NH2 ARG 105 33.997 46.000 19.307 1.00 0.00 ATOM 877 O ARG 105 35.680 40.899 12.981 1.00 0.00 ATOM 878 C ARG 105 34.486 40.763 13.215 1.00 0.00 ATOM 879 N VAL 106 33.807 39.726 12.742 1.00 0.00 ATOM 880 CA VAL 106 34.424 38.827 11.759 1.00 0.00 ATOM 881 CB VAL 106 33.606 37.537 11.652 1.00 0.00 ATOM 882 CG1 VAL 106 33.993 36.711 10.431 1.00 0.00 ATOM 883 CG2 VAL 106 33.892 36.679 12.887 1.00 0.00 ATOM 884 O VAL 106 35.724 39.514 9.854 1.00 0.00 ATOM 885 C VAL 106 34.636 39.578 10.429 1.00 0.00 ATOM 886 N LYS 107 33.591 40.268 9.990 1.00 0.00 ATOM 887 CA LYS 107 33.643 41.069 8.750 1.00 0.00 ATOM 888 CB LYS 107 32.254 41.608 8.402 1.00 0.00 ATOM 889 CG LYS 107 31.266 40.547 7.935 1.00 0.00 ATOM 890 CD LYS 107 29.912 41.157 7.610 1.00 0.00 ATOM 891 CE LYS 107 28.918 40.095 7.160 1.00 0.00 ATOM 892 NZ LYS 107 27.580 40.674 6.866 1.00 0.00 ATOM 893 O LYS 107 35.069 42.729 7.773 1.00 0.00 ATOM 894 C LYS 107 34.631 42.250 8.821 1.00 0.00 ATOM 895 N ARG 108 34.746 42.859 9.990 1.00 0.00 ATOM 896 CA ARG 108 35.594 44.061 10.155 1.00 0.00 ATOM 897 CB ARG 108 34.834 45.346 9.859 1.00 0.00 ATOM 898 CG ARG 108 35.680 46.608 9.875 1.00 0.00 ATOM 899 CD ARG 108 34.938 47.848 9.533 1.00 0.00 ATOM 900 NE ARG 108 35.716 49.070 9.656 1.00 0.00 ATOM 901 CZ ARG 108 35.320 50.277 9.206 1.00 0.00 ATOM 902 NH1 ARG 108 34.177 50.423 8.573 1.00 0.00 ATOM 903 NH2 ARG 108 36.123 51.309 9.400 1.00 0.00 ATOM 904 O ARG 108 36.045 43.328 12.386 1.00 0.00 ATOM 905 C ARG 108 36.288 44.190 11.527 1.00 0.00 TER END