PFRMAT TS TARGET T0446 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 Our model 4 comes strictly from our own methods, but the other models METHOD are optimized from other server models, because our models missed the METHOD short strand M8-N10. The metaserver run MQAC1 chose to optimize the METHOD BAKER_ROBETTA_TS2 model, and we combined parts of models from that METHOD lineage with modesl from our own methods. METHOD METHOD Model METHOD 1 T0446.try8-opt3.pdb # < chimera-try7-try5 METHOD chimera-try7-try5: METHOD mostly from T0446.try7-opt3.gromacs0.pdb METHOD D55-I74 from T0446.try5-opt3.pdb METHOD METHOD try7 < chimera-try5-try4 METHOD chimera-try5-try4: METHOD M1-I26 from T0446.try5-opt3.gromacs0.pdb METHOD M27-L124 from try4-opt3.pdb METHOD METHOD 2 T0446.try6-opt3.gromacs0.repack-nonPC.pdb # < chimera-try5-try4 METHOD METHOD 3 T0446.try5-opt3.pdb # < MQAC1-opt3.gromacs0 < BAKER_ROBETTA_TS2 METHOD METHOD 4 T0446.try4-opt3.pdb # < try3-opt3.gromacs0 < try2-opt3 < try1-opt3 < align(3b77A? 2bsqA?) METHOD METHOD 5 T0446.MQAU1-opt3.gromacs0.repack-nonPC.pdb # < SAM-T08-server_TS1 METHOD REMARK 6 REMARK 6 T0446 model 5 Tue Jul 1 14:09:01 2008 MODEL 5 PARENT N/A ATOM 1 N MET 1 27.652 37.498 30.751 1.00 0.00 ATOM 2 CA MET 1 28.144 36.327 31.440 1.00 0.00 ATOM 3 CB MET 1 27.676 35.060 30.727 1.00 0.00 ATOM 4 CG MET 1 26.164 34.932 30.597 1.00 0.00 ATOM 5 SD MET 1 25.333 34.871 32.197 1.00 0.00 ATOM 6 CE MET 1 25.852 33.263 32.787 1.00 0.00 ATOM 7 O MET 1 30.256 37.053 30.578 1.00 0.00 ATOM 8 C MET 1 29.648 36.469 31.470 1.00 0.00 ATOM 9 N GLY 2 30.184 35.895 32.526 1.00 0.00 ATOM 10 CA GLY 2 31.627 35.850 32.687 1.00 0.00 ATOM 11 O GLY 2 33.347 35.308 31.132 1.00 0.00 ATOM 12 C GLY 2 32.265 34.979 31.602 1.00 0.00 ATOM 13 N LEU 3 31.591 33.891 31.248 1.00 0.00 ATOM 14 CA LEU 3 32.083 33.036 30.166 1.00 0.00 ATOM 15 CB LEU 3 31.572 31.603 30.318 1.00 0.00 ATOM 16 CG LEU 3 32.141 30.883 31.536 1.00 0.00 ATOM 17 CD1 LEU 3 31.578 29.467 31.537 1.00 0.00 ATOM 18 CD2 LEU 3 33.659 30.810 31.442 1.00 0.00 ATOM 19 O LEU 3 30.475 33.808 28.561 1.00 0.00 ATOM 20 C LEU 3 31.650 33.548 28.807 1.00 0.00 ATOM 21 N LEU 4 32.651 33.672 27.949 1.00 0.00 ATOM 22 CA LEU 4 32.430 33.984 26.525 1.00 0.00 ATOM 23 CB LEU 4 33.773 34.233 25.819 1.00 0.00 ATOM 24 CG LEU 4 34.430 35.566 26.232 1.00 0.00 ATOM 25 CD1 LEU 4 35.828 35.639 25.634 1.00 0.00 ATOM 26 CD2 LEU 4 33.636 36.800 25.779 1.00 0.00 ATOM 27 O LEU 4 30.660 33.207 25.098 1.00 0.00 ATOM 28 C LEU 4 31.620 32.908 25.806 1.00 0.00 ATOM 29 N ASP 5 31.820 31.673 26.242 1.00 0.00 ATOM 30 CA ASP 5 31.045 30.553 25.705 1.00 0.00 ATOM 31 CB ASP 5 31.677 29.220 26.112 1.00 0.00 ATOM 32 CG ASP 5 32.972 28.889 25.382 1.00 0.00 ATOM 33 OD1 ASP 5 33.264 29.540 24.406 1.00 0.00 ATOM 34 OD2 ASP 5 33.732 28.100 25.889 1.00 0.00 ATOM 35 O ASP 5 28.640 30.440 25.409 1.00 0.00 ATOM 36 C ASP 5 29.586 30.587 26.163 1.00 0.00 ATOM 37 N ALA 6 29.363 30.972 27.412 1.00 0.00 ATOM 38 CA ALA 6 27.980 31.152 27.885 1.00 0.00 ATOM 39 CB ALA 6 27.973 31.326 29.393 1.00 0.00 ATOM 40 O ALA 6 26.041 32.335 27.082 1.00 0.00 ATOM 41 C ALA 6 27.258 32.320 27.194 1.00 0.00 ATOM 42 N LEU 7 28.016 33.317 26.762 1.00 0.00 ATOM 43 CA LEU 7 27.481 34.464 26.007 1.00 0.00 ATOM 44 CB LEU 7 28.448 35.643 26.094 1.00 0.00 ATOM 45 CG LEU 7 28.594 36.204 27.493 1.00 0.00 ATOM 46 CD1 LEU 7 29.662 37.301 27.498 1.00 0.00 ATOM 47 CD2 LEU 7 27.234 36.762 27.907 1.00 0.00 ATOM 48 O LEU 7 27.064 35.070 23.716 1.00 0.00 ATOM 49 C LEU 7 27.217 34.163 24.526 1.00 0.00 ATOM 50 N MET 8 27.203 32.869 24.198 1.00 0.00 ATOM 51 CA MET 8 27.003 32.427 22.816 1.00 0.00 ATOM 52 CB MET 8 27.359 30.948 22.678 1.00 0.00 ATOM 53 CG MET 8 28.852 30.665 22.595 1.00 0.00 ATOM 54 SD MET 8 29.217 28.906 22.425 1.00 0.00 ATOM 55 CE MET 8 31.006 28.939 22.342 1.00 0.00 ATOM 56 O MET 8 24.603 32.533 23.147 1.00 0.00 ATOM 57 C MET 8 25.562 32.683 22.396 1.00 0.00 ATOM 58 N GLY 9 25.478 33.162 21.185 1.00 0.00 ATOM 59 CA GLY 9 24.201 33.615 20.663 1.00 0.00 ATOM 60 O GLY 9 23.900 31.396 19.915 1.00 0.00 ATOM 61 C GLY 9 23.351 32.403 20.314 1.00 0.00 ATOM 62 N ASN 10 22.049 32.612 20.164 1.00 0.00 ATOM 63 CA ASN 10 21.138 31.489 19.854 1.00 0.00 ATOM 64 CB ASN 10 19.673 31.901 19.891 1.00 0.00 ATOM 65 CG ASN 10 19.284 32.283 21.311 1.00 0.00 ATOM 66 ND2 ASN 10 18.236 33.070 21.435 1.00 0.00 ATOM 67 OD1 ASN 10 19.861 31.852 22.291 1.00 0.00 ATOM 68 O ASN 10 21.318 29.592 18.397 1.00 0.00 ATOM 69 C ASN 10 21.391 30.806 18.519 1.00 0.00 ATOM 70 N ALA 11 21.740 31.615 17.513 1.00 0.00 ATOM 71 CA ALA 11 21.933 31.102 16.152 1.00 0.00 ATOM 72 CB ALA 11 20.555 30.949 15.528 1.00 0.00 ATOM 73 O ALA 11 23.074 33.154 15.659 1.00 0.00 ATOM 74 C ALA 11 22.799 32.012 15.286 1.00 0.00 ATOM 75 N ALA 12 23.278 31.445 14.181 1.00 0.00 ATOM 76 CA ALA 12 24.112 32.146 13.190 1.00 0.00 ATOM 77 CB ALA 12 24.314 31.204 12.005 1.00 0.00 ATOM 78 O ALA 12 24.238 34.384 12.337 1.00 0.00 ATOM 79 C ALA 12 23.505 33.450 12.652 1.00 0.00 ATOM 80 N GLU 13 22.188 33.473 12.543 1.00 0.00 ATOM 81 CA GLU 13 21.466 34.635 11.995 1.00 0.00 ATOM 82 CB GLU 13 20.012 34.267 11.691 1.00 0.00 ATOM 83 CG GLU 13 19.839 33.302 10.526 1.00 0.00 ATOM 84 CD GLU 13 18.395 32.925 10.340 1.00 0.00 ATOM 85 OE1 GLU 13 17.579 33.375 11.109 1.00 0.00 ATOM 86 OE2 GLU 13 18.091 32.280 9.364 1.00 0.00 ATOM 87 O GLU 13 21.026 36.939 12.396 1.00 0.00 ATOM 88 C GLU 13 21.443 35.894 12.869 1.00 0.00 ATOM 89 N VAL 14 21.753 35.724 14.152 1.00 0.00 ATOM 90 CA VAL 14 21.819 36.854 15.084 1.00 0.00 ATOM 91 CB VAL 14 20.705 36.789 16.146 1.00 0.00 ATOM 92 CG1 VAL 14 20.697 37.978 17.077 1.00 0.00 ATOM 93 CG2 VAL 14 19.290 36.798 15.580 1.00 0.00 ATOM 94 O VAL 14 23.863 35.852 15.906 1.00 0.00 ATOM 95 C VAL 14 23.211 36.889 15.722 1.00 0.00 ATOM 96 N ASN 15 23.636 38.091 16.076 1.00 0.00 ATOM 97 CA ASN 15 24.896 38.261 16.812 1.00 0.00 ATOM 98 CB ASN 15 25.334 39.708 16.671 1.00 0.00 ATOM 99 CG ASN 15 25.753 40.075 15.246 1.00 0.00 ATOM 100 ND2 ASN 15 25.652 41.345 14.969 1.00 0.00 ATOM 101 OD1 ASN 15 26.143 39.263 14.418 1.00 0.00 ATOM 102 O ASN 15 23.584 37.884 18.797 1.00 0.00 ATOM 103 C ASN 15 24.706 37.928 18.304 1.00 0.00 ATOM 104 N LEU 16 25.816 37.803 19.032 1.00 0.00 ATOM 105 CA LEU 16 25.758 37.500 20.483 1.00 0.00 ATOM 106 CB LEU 16 27.152 37.389 21.095 1.00 0.00 ATOM 107 CG LEU 16 28.054 36.384 20.390 1.00 0.00 ATOM 108 CD1 LEU 16 29.395 36.286 21.102 1.00 0.00 ATOM 109 CD2 LEU 16 27.493 34.988 20.475 1.00 0.00 ATOM 110 O LEU 16 24.238 38.196 22.195 1.00 0.00 ATOM 111 C LEU 16 25.022 38.553 21.311 1.00 0.00 ATOM 112 N ASP 17 25.246 39.818 20.972 1.00 0.00 ATOM 113 CA ASP 17 24.632 40.947 21.703 1.00 0.00 ATOM 114 CB ASP 17 25.138 42.282 21.150 1.00 0.00 ATOM 115 CG ASP 17 26.582 42.604 21.507 1.00 0.00 ATOM 116 OD1 ASP 17 27.131 41.929 22.345 1.00 0.00 ATOM 117 OD2 ASP 17 27.172 43.414 20.833 1.00 0.00 ATOM 118 O ASP 17 22.417 40.766 22.635 1.00 0.00 ATOM 119 C ASP 17 23.110 40.882 21.621 1.00 0.00 ATOM 120 N GLU 18 22.624 40.812 20.383 1.00 0.00 ATOM 121 CA GLU 18 21.179 40.740 20.131 1.00 0.00 ATOM 122 CB GLU 18 20.893 40.836 18.630 1.00 0.00 ATOM 123 CG GLU 18 21.149 42.209 18.027 1.00 0.00 ATOM 124 CD GLU 18 20.949 42.197 16.537 1.00 0.00 ATOM 125 OE1 GLU 18 20.693 41.146 15.999 1.00 0.00 ATOM 126 OE2 GLU 18 20.941 43.254 15.950 1.00 0.00 ATOM 127 O GLU 18 19.494 39.517 21.315 1.00 0.00 ATOM 128 C GLU 18 20.554 39.459 20.690 1.00 0.00 ATOM 129 N LEU 19 21.304 38.362 20.643 1.00 0.00 ATOM 130 CA LEU 19 20.856 37.072 21.190 1.00 0.00 ATOM 131 CB LEU 19 21.743 35.923 20.712 1.00 0.00 ATOM 132 CG LEU 19 21.505 35.735 19.210 1.00 0.00 ATOM 133 CD1 LEU 19 22.592 35.041 18.398 1.00 0.00 ATOM 134 CD2 LEU 19 20.173 35.049 18.961 1.00 0.00 ATOM 135 O LEU 19 19.785 36.536 23.274 1.00 0.00 ATOM 136 C LEU 19 20.743 37.082 22.726 1.00 0.00 ATOM 137 N ALA 20 21.691 37.751 23.380 1.00 0.00 ATOM 138 CA ALA 20 21.662 37.906 24.846 1.00 0.00 ATOM 139 CB ALA 20 22.854 38.705 25.376 1.00 0.00 ATOM 140 O ALA 20 19.720 38.193 26.211 1.00 0.00 ATOM 141 C ALA 20 20.423 38.651 25.319 1.00 0.00 ATOM 142 N GLN 21 20.183 39.739 24.601 1.00 0.00 ATOM 143 CA GLN 21 19.033 40.582 24.866 1.00 0.00 ATOM 144 CB GLN 21 19.054 41.817 23.963 1.00 0.00 ATOM 145 CG GLN 21 20.143 42.820 24.306 1.00 0.00 ATOM 146 CD GLN 21 20.198 43.974 23.322 1.00 0.00 ATOM 147 OE1 GLN 21 19.477 43.989 22.321 1.00 0.00 ATOM 148 NE2 GLN 21 21.060 44.946 23.599 1.00 0.00 ATOM 149 O GLN 21 16.924 40.094 25.410 1.00 0.00 ATOM 150 C GLN 21 17.779 39.800 24.655 1.00 0.00 ATOM 151 N GLU 22 17.659 38.932 23.658 1.00 0.00 ATOM 152 CA GLU 22 16.446 38.135 23.476 1.00 0.00 ATOM 153 CB GLU 22 16.424 37.505 22.081 1.00 0.00 ATOM 154 CG GLU 22 16.227 38.499 20.945 1.00 0.00 ATOM 155 CD GLU 22 16.325 37.825 19.605 1.00 0.00 ATOM 156 OE1 GLU 22 16.601 36.649 19.572 1.00 0.00 ATOM 157 OE2 GLU 22 16.013 38.453 18.621 1.00 0.00 ATOM 158 O GLU 22 15.178 36.829 25.094 1.00 0.00 ATOM 159 C GLU 22 16.254 37.015 24.513 1.00 0.00 ATOM 160 N LEU 23 17.366 36.369 24.863 1.00 0.00 ATOM 161 CA LEU 23 17.406 35.332 25.916 1.00 0.00 ATOM 162 CB LEU 23 18.816 34.733 26.071 1.00 0.00 ATOM 163 CG LEU 23 19.270 33.882 24.901 1.00 0.00 ATOM 164 CD1 LEU 23 20.688 33.371 25.119 1.00 0.00 ATOM 165 CD2 LEU 23 18.429 32.624 24.913 1.00 0.00 ATOM 166 O LEU 23 16.302 35.231 28.069 1.00 0.00 ATOM 167 C LEU 23 17.023 35.864 27.304 1.00 0.00 ATOM 168 N GLY 24 17.488 37.059 27.596 1.00 0.00 ATOM 169 CA GLY 24 17.175 37.744 28.874 1.00 0.00 ATOM 170 O GLY 24 15.171 37.191 30.132 1.00 0.00 ATOM 171 C GLY 24 15.644 37.772 29.162 1.00 0.00 ATOM 172 N PRO 25 14.847 38.374 28.269 1.00 0.00 ATOM 173 CA PRO 25 13.390 38.543 28.256 1.00 0.00 ATOM 174 CB PRO 25 13.054 39.244 26.938 1.00 0.00 ATOM 175 CG PRO 25 14.236 40.161 26.750 1.00 0.00 ATOM 176 CD PRO 25 15.338 39.239 27.224 1.00 0.00 ATOM 177 O PRO 25 11.604 37.121 28.896 1.00 0.00 ATOM 178 C PRO 25 12.663 37.218 28.286 1.00 0.00 ATOM 179 N ILE 26 13.181 36.229 27.573 1.00 0.00 ATOM 180 CA ILE 26 12.512 34.906 27.558 1.00 0.00 ATOM 181 CB ILE 26 13.110 33.945 26.527 1.00 0.00 ATOM 182 CG1 ILE 26 14.484 33.441 26.955 1.00 0.00 ATOM 183 CG2 ILE 26 13.156 34.658 25.175 1.00 0.00 ATOM 184 CD1 ILE 26 15.117 32.357 26.092 1.00 0.00 ATOM 185 O ILE 26 11.604 33.418 29.211 1.00 0.00 ATOM 186 C ILE 26 12.449 34.282 28.955 1.00 0.00 ATOM 187 N MET 27 13.377 34.700 29.803 1.00 0.00 ATOM 188 CA MET 27 13.441 34.203 31.182 1.00 0.00 ATOM 189 CB MET 27 14.872 34.292 31.709 1.00 0.00 ATOM 190 CG MET 27 15.833 33.286 31.091 1.00 0.00 ATOM 191 SD MET 27 17.478 33.351 31.829 1.00 0.00 ATOM 192 CE MET 27 18.118 34.855 31.099 1.00 0.00 ATOM 193 O MET 27 12.278 36.174 31.951 1.00 0.00 ATOM 194 C MET 27 12.492 34.978 32.111 1.00 0.00 ATOM 195 N GLY 28 11.920 34.237 33.052 1.00 0.00 ATOM 196 CA GLY 28 10.992 34.765 34.077 1.00 0.00 ATOM 197 O GLY 28 12.873 36.035 34.830 1.00 0.00 ATOM 198 C GLY 28 11.662 35.867 34.902 1.00 0.00 ATOM 199 N ASP 29 10.956 36.382 35.892 1.00 0.00 ATOM 200 CA ASP 29 11.522 37.478 36.719 1.00 0.00 ATOM 201 CB ASP 29 10.480 37.991 37.717 1.00 0.00 ATOM 202 CG ASP 29 9.354 38.801 37.090 1.00 0.00 ATOM 203 OD1 ASP 29 9.474 39.161 35.943 1.00 0.00 ATOM 204 OD2 ASP 29 8.322 38.918 37.705 1.00 0.00 ATOM 205 O ASP 29 13.720 37.898 37.496 1.00 0.00 ATOM 206 C ASP 29 12.781 37.124 37.501 1.00 0.00 ATOM 207 N ASN 30 12.730 36.052 38.284 1.00 0.00 ATOM 208 CA ASN 30 13.908 35.640 39.085 1.00 0.00 ATOM 209 CB ASN 30 13.500 35.168 40.468 1.00 0.00 ATOM 210 CG ASN 30 13.000 36.269 41.361 1.00 0.00 ATOM 211 ND2 ASN 30 12.245 35.887 42.359 1.00 0.00 ATOM 212 OD1 ASN 30 13.353 37.441 41.192 1.00 0.00 ATOM 213 O ASN 30 15.438 33.767 39.116 1.00 0.00 ATOM 214 C ASN 30 14.772 34.551 38.446 1.00 0.00 ATOM 215 N GLU 31 14.600 34.398 37.142 1.00 0.00 ATOM 216 CA GLU 31 15.356 33.382 36.403 1.00 0.00 ATOM 217 CB GLU 31 14.453 32.916 35.280 1.00 0.00 ATOM 218 CG GLU 31 15.036 31.733 34.516 1.00 0.00 ATOM 219 CD GLU 31 14.096 31.207 33.442 1.00 0.00 ATOM 220 OE1 GLU 31 12.938 31.691 33.365 1.00 0.00 ATOM 221 OE2 GLU 31 14.521 30.258 32.765 1.00 0.00 ATOM 222 O GLU 31 16.919 35.108 35.779 1.00 0.00 ATOM 223 C GLU 31 16.714 33.931 35.922 1.00 0.00 ATOM 224 N GLN 32 17.757 33.151 35.975 1.00 0.00 ATOM 225 CA GLN 32 19.068 33.661 35.505 1.00 0.00 ATOM 226 CB GLN 32 19.965 34.013 36.695 1.00 0.00 ATOM 227 CG GLN 32 21.314 34.594 36.308 1.00 0.00 ATOM 228 CD GLN 32 22.142 34.990 37.516 1.00 0.00 ATOM 229 OE1 GLN 32 21.693 34.871 38.660 1.00 0.00 ATOM 230 NE2 GLN 32 23.355 35.470 37.269 1.00 0.00 ATOM 231 O GLN 32 19.659 31.453 34.937 1.00 0.00 ATOM 232 C GLN 32 19.743 32.640 34.630 1.00 0.00 ATOM 233 N LEU 33 20.376 33.134 33.583 1.00 0.00 ATOM 234 CA LEU 33 21.162 32.297 32.669 1.00 0.00 ATOM 235 CB LEU 33 21.384 33.028 31.339 1.00 0.00 ATOM 236 CG LEU 33 21.784 32.131 30.160 1.00 0.00 ATOM 237 CD1 LEU 33 21.258 32.715 28.857 1.00 0.00 ATOM 238 CD2 LEU 33 23.299 31.995 30.118 1.00 0.00 ATOM 239 O LEU 33 23.191 32.835 33.833 1.00 0.00 ATOM 240 C LEU 33 22.472 31.958 33.364 1.00 0.00 ATOM 241 N ALA 34 22.723 30.672 33.489 1.00 0.00 ATOM 242 CA ALA 34 24.010 30.291 34.081 1.00 0.00 ATOM 243 CB ALA 34 23.901 29.017 34.828 1.00 0.00 ATOM 244 O ALA 34 26.202 30.365 33.237 1.00 0.00 ATOM 245 C ALA 34 25.060 29.971 33.043 1.00 0.00 ATOM 246 N LEU 35 24.658 29.142 32.086 1.00 0.00 ATOM 247 CA LEU 35 25.542 28.731 30.990 1.00 0.00 ATOM 248 CB LEU 35 26.183 27.373 31.306 1.00 0.00 ATOM 249 CG LEU 35 27.124 27.362 32.517 1.00 0.00 ATOM 250 CD1 LEU 35 27.507 25.930 32.868 1.00 0.00 ATOM 251 CD2 LEU 35 28.361 28.191 32.207 1.00 0.00 ATOM 252 O LEU 35 23.523 28.446 29.719 1.00 0.00 ATOM 253 C LEU 35 24.736 28.683 29.696 1.00 0.00 ATOM 254 N ALA 36 25.452 28.880 28.612 1.00 0.00 ATOM 255 CA ALA 36 24.901 28.671 27.259 1.00 0.00 ATOM 256 CB ALA 36 24.359 29.942 26.618 1.00 0.00 ATOM 257 O ALA 36 27.141 28.524 26.472 1.00 0.00 ATOM 258 C ALA 36 25.989 28.135 26.341 1.00 0.00 ATOM 259 N TYR 37 25.591 27.262 25.432 1.00 0.00 ATOM 260 CA TYR 37 26.562 26.611 24.541 1.00 0.00 ATOM 261 CB TYR 37 27.282 25.474 25.298 1.00 0.00 ATOM 262 CG TYR 37 28.308 25.954 26.341 1.00 0.00 ATOM 263 CD1 TYR 37 28.057 26.046 27.710 1.00 0.00 ATOM 264 CD2 TYR 37 29.575 26.282 25.909 1.00 0.00 ATOM 265 CE1 TYR 37 29.060 26.436 28.607 1.00 0.00 ATOM 266 CE2 TYR 37 30.585 26.619 26.796 1.00 0.00 ATOM 267 CZ TYR 37 30.343 26.724 28.150 1.00 0.00 ATOM 268 OH TYR 37 31.310 27.221 28.980 1.00 0.00 ATOM 269 O TYR 37 25.020 25.521 22.998 1.00 0.00 ATOM 270 C TYR 37 26.045 26.186 23.152 1.00 0.00 ATOM 271 N ARG 38 26.626 26.834 22.146 1.00 0.00 ATOM 272 CA ARG 38 26.357 26.567 20.706 1.00 0.00 ATOM 273 CB ARG 38 27.079 27.550 19.797 1.00 0.00 ATOM 274 CG ARG 38 26.457 28.937 19.731 1.00 0.00 ATOM 275 CD ARG 38 27.177 29.889 18.847 1.00 0.00 ATOM 276 NE ARG 38 26.538 31.187 18.713 1.00 0.00 ATOM 277 CZ ARG 38 27.076 32.243 18.073 1.00 0.00 ATOM 278 NH1 ARG 38 28.277 32.173 17.542 1.00 0.00 ATOM 279 NH2 ARG 38 26.376 33.363 18.016 1.00 0.00 ATOM 280 O ARG 38 27.609 24.568 20.929 1.00 0.00 ATOM 281 C ARG 38 26.690 25.124 20.356 1.00 0.00 ATOM 282 N VAL 39 26.095 24.711 19.245 1.00 0.00 ATOM 283 CA VAL 39 26.509 23.513 18.477 1.00 0.00 ATOM 284 CB VAL 39 27.805 23.663 17.644 1.00 0.00 ATOM 285 CG1 VAL 39 27.518 24.568 16.450 1.00 0.00 ATOM 286 CG2 VAL 39 29.038 24.194 18.354 1.00 0.00 ATOM 287 O VAL 39 27.220 21.281 19.143 1.00 0.00 ATOM 288 C VAL 39 26.452 22.224 19.297 1.00 0.00 ATOM 289 N ILE 40 25.466 22.215 20.144 1.00 0.00 ATOM 290 CA ILE 40 25.167 20.932 20.827 1.00 0.00 ATOM 291 CB ILE 40 24.839 21.147 22.316 1.00 0.00 ATOM 292 CG1 ILE 40 26.095 21.566 23.084 1.00 0.00 ATOM 293 CG2 ILE 40 24.238 19.887 22.916 1.00 0.00 ATOM 294 CD1 ILE 40 25.807 22.227 24.413 1.00 0.00 ATOM 295 O ILE 40 23.372 21.396 19.556 1.00 0.00 ATOM 296 C ILE 40 24.035 20.480 19.984 1.00 0.00 ATOM 297 N ARG 41 23.758 19.230 19.735 1.00 0.00 ATOM 298 CA ARG 41 22.727 19.078 18.690 1.00 0.00 ATOM 299 CB ARG 41 22.432 17.617 18.383 1.00 0.00 ATOM 300 CG ARG 41 23.564 16.863 17.705 1.00 0.00 ATOM 301 CD ARG 41 23.259 15.442 17.404 1.00 0.00 ATOM 302 NE ARG 41 24.370 14.696 16.833 1.00 0.00 ATOM 303 CZ ARG 41 24.698 14.695 15.526 1.00 0.00 ATOM 304 NH1 ARG 41 23.986 15.365 14.647 1.00 0.00 ATOM 305 NH2 ARG 41 25.744 13.981 15.146 1.00 0.00 ATOM 306 O ARG 41 20.913 19.278 20.016 1.00 0.00 ATOM 307 C ARG 41 21.399 19.875 19.068 1.00 0.00 ATOM 308 N ASP 42 21.151 21.176 18.561 1.00 0.00 ATOM 309 CA ASP 42 21.049 22.736 18.742 1.00 0.00 ATOM 310 CB ASP 42 19.606 23.147 19.049 1.00 0.00 ATOM 311 CG ASP 42 19.056 22.584 20.352 1.00 0.00 ATOM 312 OD1 ASP 42 18.800 21.404 20.406 1.00 0.00 ATOM 313 OD2 ASP 42 19.042 23.299 21.325 1.00 0.00 ATOM 314 O ASP 42 22.845 23.805 19.917 1.00 0.00 ATOM 315 C ASP 42 21.661 23.945 19.636 1.00 0.00 ATOM 316 N MET 43 21.188 25.223 19.923 1.00 0.00 ATOM 317 CA MET 43 21.745 26.023 21.078 1.00 0.00 ATOM 318 CB MET 43 21.603 27.518 20.802 1.00 0.00 ATOM 319 CG MET 43 22.284 28.415 21.825 1.00 0.00 ATOM 320 SD MET 43 24.070 28.503 21.594 1.00 0.00 ATOM 321 CE MET 43 24.595 29.044 23.218 1.00 0.00 ATOM 322 O MET 43 19.790 25.673 22.460 1.00 0.00 ATOM 323 C MET 43 21.011 25.617 22.369 1.00 0.00 ATOM 324 N PHE 44 21.788 25.234 23.379 1.00 0.00 ATOM 325 CA PHE 44 21.213 24.829 24.689 1.00 0.00 ATOM 326 CB PHE 44 21.733 23.449 25.098 1.00 0.00 ATOM 327 CG PHE 44 21.109 22.316 24.335 1.00 0.00 ATOM 328 CD1 PHE 44 21.506 22.034 23.036 1.00 0.00 ATOM 329 CD2 PHE 44 20.124 21.531 24.913 1.00 0.00 ATOM 330 CE1 PHE 44 20.932 20.991 22.333 1.00 0.00 ATOM 331 CE2 PHE 44 19.550 20.487 24.213 1.00 0.00 ATOM 332 CZ PHE 44 19.954 20.218 22.921 1.00 0.00 ATOM 333 O PHE 44 22.681 26.286 25.902 1.00 0.00 ATOM 334 C PHE 44 21.540 25.857 25.762 1.00 0.00 ATOM 335 N VAL 45 20.523 26.168 26.545 1.00 0.00 ATOM 336 CA VAL 45 20.687 27.125 27.644 1.00 0.00 ATOM 337 CB VAL 45 19.862 28.404 27.407 1.00 0.00 ATOM 338 CG1 VAL 45 20.011 29.359 28.581 1.00 0.00 ATOM 339 CG2 VAL 45 20.290 29.082 26.114 1.00 0.00 ATOM 340 O VAL 45 19.157 25.919 29.068 1.00 0.00 ATOM 341 C VAL 45 20.261 26.451 28.954 1.00 0.00 ATOM 342 N PHE 46 21.101 26.665 29.961 1.00 0.00 ATOM 343 CA PHE 46 20.760 26.308 31.341 1.00 0.00 ATOM 344 CB PHE 46 21.866 25.500 32.009 1.00 0.00 ATOM 345 CG PHE 46 22.053 24.173 31.298 1.00 0.00 ATOM 346 CD1 PHE 46 22.923 24.115 30.216 1.00 0.00 ATOM 347 CD2 PHE 46 21.286 23.088 31.667 1.00 0.00 ATOM 348 CE1 PHE 46 23.015 22.939 29.487 1.00 0.00 ATOM 349 CE2 PHE 46 21.389 21.910 30.929 1.00 0.00 ATOM 350 CZ PHE 46 22.248 21.841 29.838 1.00 0.00 ATOM 351 O PHE 46 21.465 28.453 32.179 1.00 0.00 ATOM 352 C PHE 46 20.597 27.589 32.135 1.00 0.00 ATOM 353 N THR 47 19.474 27.602 32.808 1.00 0.00 ATOM 354 CA THR 47 19.166 28.699 33.734 1.00 0.00 ATOM 355 CB THR 47 17.887 29.449 33.317 1.00 0.00 ATOM 356 CG2 THR 47 18.002 29.943 31.883 1.00 0.00 ATOM 357 OG1 THR 47 16.759 28.572 33.427 1.00 0.00 ATOM 358 O THR 47 18.965 26.876 35.291 1.00 0.00 ATOM 359 C THR 47 19.018 28.095 35.126 1.00 0.00 ATOM 360 N ASN 48 18.740 28.965 36.069 1.00 0.00 ATOM 361 CA ASN 48 18.394 28.501 37.416 1.00 0.00 ATOM 362 CB ASN 48 18.229 29.664 38.378 1.00 0.00 ATOM 363 CG ASN 48 19.527 30.315 38.768 1.00 0.00 ATOM 364 ND2 ASN 48 19.423 31.499 39.316 1.00 0.00 ATOM 365 OD1 ASN 48 20.605 29.722 38.643 1.00 0.00 ATOM 366 O ASN 48 16.960 26.823 38.350 1.00 0.00 ATOM 367 C ASN 48 17.121 27.634 37.455 1.00 0.00 ATOM 368 N LYS 49 16.211 27.875 36.502 1.00 0.00 ATOM 369 CA LYS 49 14.870 27.266 36.473 1.00 0.00 ATOM 370 CB LYS 49 13.793 28.348 36.381 1.00 0.00 ATOM 371 CG LYS 49 13.745 29.292 37.576 1.00 0.00 ATOM 372 CD LYS 49 12.649 30.335 37.414 1.00 0.00 ATOM 373 CE LYS 49 12.604 31.281 38.605 1.00 0.00 ATOM 374 NZ LYS 49 11.597 32.361 38.419 1.00 0.00 ATOM 375 O LYS 49 13.725 25.372 35.449 1.00 0.00 ATOM 376 C LYS 49 14.584 26.254 35.347 1.00 0.00 ATOM 377 N ARG 50 15.329 26.358 34.287 1.00 0.00 ATOM 378 CA ARG 50 14.952 25.635 33.068 1.00 0.00 ATOM 379 CB ARG 50 13.954 26.414 32.225 1.00 0.00 ATOM 380 CG ARG 50 12.545 26.471 32.792 1.00 0.00 ATOM 381 CD ARG 50 11.555 27.139 31.909 1.00 0.00 ATOM 382 NE ARG 50 11.761 28.569 31.747 1.00 0.00 ATOM 383 CZ ARG 50 11.108 29.341 30.855 1.00 0.00 ATOM 384 NH1 ARG 50 10.235 28.821 30.021 1.00 0.00 ATOM 385 NH2 ARG 50 11.385 30.633 30.826 1.00 0.00 ATOM 386 O ARG 50 17.261 25.797 32.412 1.00 0.00 ATOM 387 C ARG 50 16.180 25.246 32.263 1.00 0.00 ATOM 388 N LEU 51 15.927 24.245 31.444 1.00 0.00 ATOM 389 CA LEU 51 16.765 23.991 30.255 1.00 0.00 ATOM 390 CB LEU 51 17.128 22.504 30.170 1.00 0.00 ATOM 391 CG LEU 51 17.778 22.065 28.851 1.00 0.00 ATOM 392 CD1 LEU 51 19.050 22.866 28.604 1.00 0.00 ATOM 393 CD2 LEU 51 18.080 20.575 28.904 1.00 0.00 ATOM 394 O LEU 51 14.848 24.004 28.806 1.00 0.00 ATOM 395 C LEU 51 15.958 24.478 29.052 1.00 0.00 ATOM 396 N ILE 52 16.555 25.412 28.330 1.00 0.00 ATOM 397 CA ILE 52 15.908 25.990 27.124 1.00 0.00 ATOM 398 CB ILE 52 15.792 27.524 27.242 1.00 0.00 ATOM 399 CG1 ILE 52 14.980 27.927 28.488 1.00 0.00 ATOM 400 CG2 ILE 52 15.123 28.107 25.976 1.00 0.00 ATOM 401 CD1 ILE 52 15.031 29.425 28.818 1.00 0.00 ATOM 402 O ILE 52 17.929 25.691 25.864 1.00 0.00 ATOM 403 C ILE 52 16.710 25.598 25.875 1.00 0.00 ATOM 404 N LEU 53 15.976 25.221 24.835 1.00 0.00 ATOM 405 CA LEU 53 16.578 24.888 23.527 1.00 0.00 ATOM 406 CB LEU 53 16.265 23.449 23.122 1.00 0.00 ATOM 407 CG LEU 53 17.063 22.320 23.780 1.00 0.00 ATOM 408 CD1 LEU 53 16.900 22.273 25.296 1.00 0.00 ATOM 409 CD2 LEU 53 16.587 20.977 23.207 1.00 0.00 ATOM 410 O LEU 53 14.910 26.225 22.428 1.00 0.00 ATOM 411 C LEU 53 16.082 25.832 22.433 1.00 0.00 ATOM 412 N ILE 54 17.043 26.401 21.719 1.00 0.00 ATOM 413 CA ILE 54 16.745 27.358 20.631 1.00 0.00 ATOM 414 CB ILE 54 17.180 28.788 21.001 1.00 0.00 ATOM 415 CG1 ILE 54 16.627 29.176 22.375 1.00 0.00 ATOM 416 CG2 ILE 54 16.720 29.775 19.940 1.00 0.00 ATOM 417 CD1 ILE 54 17.659 29.146 23.479 1.00 0.00 ATOM 418 O ILE 54 18.701 26.897 19.327 1.00 0.00 ATOM 419 C ILE 54 17.465 26.881 19.365 1.00 0.00 ATOM 420 N ASP 55 16.663 26.786 18.316 1.00 0.00 ATOM 421 CA ASP 55 17.116 26.276 17.013 1.00 0.00 ATOM 422 CB ASP 55 15.948 26.016 16.067 1.00 0.00 ATOM 423 CG ASP 55 15.062 24.845 16.475 1.00 0.00 ATOM 424 OD1 ASP 55 15.494 24.035 17.308 1.00 0.00 ATOM 425 OD2 ASP 55 13.975 24.749 15.864 1.00 0.00 ATOM 426 O ASP 55 17.938 28.452 16.406 1.00 0.00 ATOM 427 C ASP 55 18.100 27.235 16.336 1.00 0.00 ATOM 428 N LYS 56 18.993 26.659 15.533 1.00 0.00 ATOM 429 CA LYS 56 19.949 27.448 14.714 1.00 0.00 ATOM 430 CB LYS 56 20.819 26.520 13.865 1.00 0.00 ATOM 431 CG LYS 56 21.856 27.238 13.011 1.00 0.00 ATOM 432 CD LYS 56 22.734 26.249 12.257 1.00 0.00 ATOM 433 CE LYS 56 23.773 26.965 11.408 1.00 0.00 ATOM 434 NZ LYS 56 24.632 26.010 10.658 1.00 0.00 ATOM 435 O LYS 56 19.846 29.401 13.310 1.00 0.00 ATOM 436 C LYS 56 19.230 28.457 13.806 1.00 0.00 ATOM 437 N GLN 57 18.057 28.062 13.347 1.00 0.00 ATOM 438 CA GLN 57 17.264 28.936 12.465 1.00 0.00 ATOM 439 CB GLN 57 16.222 28.119 11.696 1.00 0.00 ATOM 440 CG GLN 57 16.813 27.135 10.701 1.00 0.00 ATOM 441 CD GLN 57 15.749 26.325 9.987 1.00 0.00 ATOM 442 OE1 GLN 57 14.550 26.502 10.223 1.00 0.00 ATOM 443 NE2 GLN 57 16.180 25.426 9.110 1.00 0.00 ATOM 444 O GLN 57 15.889 30.905 12.555 1.00 0.00 ATOM 445 C GLN 57 16.527 30.081 13.193 1.00 0.00 ATOM 446 N GLY 58 16.519 30.005 14.523 1.00 0.00 ATOM 447 CA GLY 58 15.772 30.931 15.382 1.00 0.00 ATOM 448 O GLY 58 13.768 29.851 14.594 1.00 0.00 ATOM 449 C GLY 58 14.261 30.845 15.112 1.00 0.00 ATOM 450 N VAL 59 13.561 31.791 15.703 1.00 0.00 ATOM 451 CA VAL 59 12.107 31.957 15.488 1.00 0.00 ATOM 452 CB VAL 59 11.359 31.370 16.701 1.00 0.00 ATOM 453 CG1 VAL 59 11.665 32.162 17.961 1.00 0.00 ATOM 454 CG2 VAL 59 9.879 31.196 16.389 1.00 0.00 ATOM 455 O VAL 59 12.476 34.304 15.856 1.00 0.00 ATOM 456 C VAL 59 11.811 33.443 15.281 1.00 0.00 ATOM 457 N THR 60 10.634 33.712 14.735 1.00 0.00 ATOM 458 CA THR 60 10.159 35.097 14.610 1.00 0.00 ATOM 459 CB THR 60 9.781 35.436 13.157 1.00 0.00 ATOM 460 CG2 THR 60 9.267 36.864 13.059 1.00 0.00 ATOM 461 OG1 THR 60 10.929 35.286 12.313 1.00 0.00 ATOM 462 O THR 60 7.918 34.645 15.364 1.00 0.00 ATOM 463 C THR 60 8.958 35.296 15.528 1.00 0.00 ATOM 464 N GLY 61 9.146 36.209 16.459 1.00 0.00 ATOM 465 CA GLY 61 8.112 36.604 17.431 1.00 0.00 ATOM 466 O GLY 61 6.990 35.778 19.388 1.00 0.00 ATOM 467 C GLY 61 7.961 35.663 18.643 1.00 0.00 ATOM 468 N LYS 62 8.845 34.680 18.753 1.00 0.00 ATOM 469 CA LYS 62 8.866 33.764 19.917 1.00 0.00 ATOM 470 CB LYS 62 8.576 32.329 19.474 1.00 0.00 ATOM 471 CG LYS 62 7.226 32.141 18.795 1.00 0.00 ATOM 472 CD LYS 62 6.082 32.300 19.785 1.00 0.00 ATOM 473 CE LYS 62 4.739 32.005 19.133 1.00 0.00 ATOM 474 NZ LYS 62 3.610 32.153 20.091 1.00 0.00 ATOM 475 O LYS 62 11.218 34.128 20.011 1.00 0.00 ATOM 476 C LYS 62 10.207 33.854 20.614 1.00 0.00 ATOM 477 N LYS 63 10.276 33.329 21.808 1.00 0.00 ATOM 478 CA LYS 63 11.540 33.162 22.559 1.00 0.00 ATOM 479 CB LYS 63 11.275 32.503 23.913 1.00 0.00 ATOM 480 CG LYS 63 10.232 33.212 24.765 1.00 0.00 ATOM 481 CD LYS 63 8.834 32.678 24.487 1.00 0.00 ATOM 482 CE LYS 63 7.784 33.423 25.298 1.00 0.00 ATOM 483 NZ LYS 63 6.405 32.972 24.970 1.00 0.00 ATOM 484 O LYS 63 13.645 32.697 21.426 1.00 0.00 ATOM 485 C LYS 63 12.500 32.326 21.692 1.00 0.00 ATOM 486 N VAL 64 12.031 31.108 21.488 1.00 0.00 ATOM 487 CA VAL 64 12.842 30.012 20.942 1.00 0.00 ATOM 488 CB VAL 64 13.438 29.179 22.101 1.00 0.00 ATOM 489 CG1 VAL 64 13.974 30.088 23.191 1.00 0.00 ATOM 490 CG2 VAL 64 12.462 28.371 22.956 1.00 0.00 ATOM 491 O VAL 64 10.826 28.852 20.400 1.00 0.00 ATOM 492 C VAL 64 11.955 29.186 20.027 1.00 0.00 ATOM 493 N SER 65 12.522 28.865 18.871 1.00 0.00 ATOM 494 CA SER 65 11.895 27.990 17.865 1.00 0.00 ATOM 495 CB SER 65 12.830 27.799 16.685 1.00 0.00 ATOM 496 OG SER 65 12.268 26.980 15.697 1.00 0.00 ATOM 497 O SER 65 10.549 26.016 18.058 1.00 0.00 ATOM 498 C SER 65 11.523 26.647 18.480 1.00 0.00 ATOM 499 N TYR 66 12.388 26.258 19.418 1.00 0.00 ATOM 500 CA TYR 66 12.335 24.976 20.078 1.00 0.00 ATOM 501 CB TYR 66 13.682 24.334 20.413 1.00 0.00 ATOM 502 CG TYR 66 13.552 22.839 20.756 1.00 0.00 ATOM 503 CD1 TYR 66 13.520 21.908 19.735 1.00 0.00 ATOM 504 CD2 TYR 66 13.571 22.379 22.052 1.00 0.00 ATOM 505 CE1 TYR 66 13.497 20.550 20.013 1.00 0.00 ATOM 506 CE2 TYR 66 13.507 21.030 22.367 1.00 0.00 ATOM 507 CZ TYR 66 13.483 20.113 21.330 1.00 0.00 ATOM 508 OH TYR 66 13.288 18.810 21.593 1.00 0.00 ATOM 509 O TYR 66 10.440 24.300 21.035 1.00 0.00 ATOM 510 C TYR 66 11.417 24.979 21.272 1.00 0.00 ATOM 511 N HIS 67 11.638 25.481 22.499 1.00 0.00 ATOM 512 CA HIS 67 11.062 24.770 23.679 1.00 0.00 ATOM 513 CB HIS 67 10.742 23.313 23.329 1.00 0.00 ATOM 514 CG HIS 67 10.123 22.546 24.456 1.00 0.00 ATOM 515 CD2 HIS 67 10.618 21.562 25.243 1.00 0.00 ATOM 516 ND1 HIS 67 8.831 22.768 24.885 1.00 0.00 ATOM 517 CE1 HIS 67 8.557 21.951 25.888 1.00 0.00 ATOM 518 NE2 HIS 67 9.625 21.210 26.124 1.00 0.00 ATOM 519 O HIS 67 13.196 24.712 24.832 1.00 0.00 ATOM 520 C HIS 67 11.961 24.789 24.902 1.00 0.00 ATOM 521 N SER 68 11.274 24.485 25.992 1.00 0.00 ATOM 522 CA SER 68 11.923 24.350 27.295 1.00 0.00 ATOM 523 CB SER 68 11.893 25.674 28.034 1.00 0.00 ATOM 524 OG SER 68 10.586 26.066 28.357 1.00 0.00 ATOM 525 O SER 68 10.124 22.919 28.075 1.00 0.00 ATOM 526 C SER 68 11.306 23.272 28.183 1.00 0.00 ATOM 527 N VAL 69 12.150 22.789 29.078 1.00 0.00 ATOM 528 CA VAL 69 11.719 21.935 30.199 1.00 0.00 ATOM 529 CB VAL 69 12.253 20.498 30.052 1.00 0.00 ATOM 530 CG1 VAL 69 11.699 19.850 28.792 1.00 0.00 ATOM 531 CG2 VAL 69 13.774 20.494 30.027 1.00 0.00 ATOM 532 O VAL 69 13.268 23.176 31.538 1.00 0.00 ATOM 533 C VAL 69 12.206 22.547 31.518 1.00 0.00 ATOM 534 N PRO 70 11.405 22.415 32.586 1.00 0.00 ATOM 535 CA PRO 70 11.811 22.873 33.915 1.00 0.00 ATOM 536 CB PRO 70 10.513 22.905 34.721 1.00 0.00 ATOM 537 CG PRO 70 9.622 21.839 34.070 1.00 0.00 ATOM 538 CD PRO 70 10.050 21.843 32.607 1.00 0.00 ATOM 539 O PRO 70 12.669 20.662 34.352 1.00 0.00 ATOM 540 C PRO 70 12.832 21.878 34.468 1.00 0.00 ATOM 541 N TYR 71 13.866 22.419 35.102 1.00 0.00 ATOM 542 CA TYR 71 14.921 21.593 35.726 1.00 0.00 ATOM 543 CB TYR 71 16.000 22.483 36.347 1.00 0.00 ATOM 544 CG TYR 71 15.663 22.974 37.738 1.00 0.00 ATOM 545 CD1 TYR 71 15.876 22.170 38.848 1.00 0.00 ATOM 546 CD2 TYR 71 15.137 24.241 37.936 1.00 0.00 ATOM 547 CE1 TYR 71 15.571 22.613 40.121 1.00 0.00 ATOM 548 CE2 TYR 71 14.827 24.695 39.203 1.00 0.00 ATOM 549 CZ TYR 71 15.046 23.878 40.293 1.00 0.00 ATOM 550 OH TYR 71 14.742 24.325 41.559 1.00 0.00 ATOM 551 O TYR 71 14.825 19.529 36.984 1.00 0.00 ATOM 552 C TYR 71 14.360 20.643 36.798 1.00 0.00 ATOM 553 N LYS 72 13.292 21.109 37.451 1.00 0.00 ATOM 554 CA LYS 72 12.558 20.316 38.449 1.00 0.00 ATOM 555 CB LYS 72 11.387 21.120 39.017 1.00 0.00 ATOM 556 CG LYS 72 11.797 22.299 39.888 1.00 0.00 ATOM 557 CD LYS 72 10.583 23.060 40.398 1.00 0.00 ATOM 558 CE LYS 72 10.992 24.227 41.284 1.00 0.00 ATOM 559 NZ LYS 72 9.814 24.993 41.775 1.00 0.00 ATOM 560 O LYS 72 11.729 18.082 38.605 1.00 0.00 ATOM 561 C LYS 72 12.045 18.994 37.860 1.00 0.00 ATOM 562 N ALA 73 11.901 18.946 36.529 1.00 0.00 ATOM 563 CA ALA 73 11.443 17.766 35.760 1.00 0.00 ATOM 564 CB ALA 73 10.881 18.192 34.396 1.00 0.00 ATOM 565 O ALA 73 12.212 15.666 34.890 1.00 0.00 ATOM 566 C ALA 73 12.509 16.705 35.487 1.00 0.00 ATOM 567 N ILE 74 13.713 16.956 35.953 1.00 0.00 ATOM 568 CA ILE 74 14.807 16.016 35.725 1.00 0.00 ATOM 569 CB ILE 74 16.173 16.727 35.732 1.00 0.00 ATOM 570 CG1 ILE 74 16.249 17.750 34.596 1.00 0.00 ATOM 571 CG2 ILE 74 17.301 15.712 35.617 1.00 0.00 ATOM 572 CD1 ILE 74 17.458 18.655 34.668 1.00 0.00 ATOM 573 O ILE 74 14.985 15.249 37.979 1.00 0.00 ATOM 574 C ILE 74 14.749 14.939 36.817 1.00 0.00 ATOM 575 N THR 75 14.799 13.706 36.340 1.00 0.00 ATOM 576 CA THR 75 14.919 12.541 37.233 1.00 0.00 ATOM 577 CB THR 75 14.119 11.353 36.707 1.00 0.00 ATOM 578 CG2 THR 75 14.203 10.083 37.566 1.00 0.00 ATOM 579 OG1 THR 75 12.767 11.768 36.654 1.00 0.00 ATOM 580 O THR 75 16.798 11.671 38.443 1.00 0.00 ATOM 581 C THR 75 16.389 12.146 37.384 1.00 0.00 ATOM 582 N HIS 76 17.140 12.259 36.296 1.00 0.00 ATOM 583 CA HIS 76 18.567 11.894 36.280 1.00 0.00 ATOM 584 CB HIS 76 18.727 10.373 36.132 1.00 0.00 ATOM 585 CG HIS 76 20.172 9.900 36.329 1.00 0.00 ATOM 586 CD2 HIS 76 20.704 9.347 37.409 1.00 0.00 ATOM 587 ND1 HIS 76 21.113 9.954 35.387 1.00 0.00 ATOM 588 CE1 HIS 76 22.239 9.468 35.886 1.00 0.00 ATOM 589 NE2 HIS 76 21.978 9.064 37.119 1.00 0.00 ATOM 590 O HIS 76 18.738 13.088 34.185 1.00 0.00 ATOM 591 C HIS 76 19.314 12.627 35.170 1.00 0.00 ATOM 592 N PHE 77 20.577 12.906 35.479 1.00 0.00 ATOM 593 CA PHE 77 21.506 13.508 34.524 1.00 0.00 ATOM 594 CB PHE 77 21.778 14.967 34.892 1.00 0.00 ATOM 595 CG PHE 77 22.865 15.605 34.074 1.00 0.00 ATOM 596 CD1 PHE 77 23.128 15.172 32.783 1.00 0.00 ATOM 597 CD2 PHE 77 23.628 16.640 34.594 1.00 0.00 ATOM 598 CE1 PHE 77 24.127 15.758 32.030 1.00 0.00 ATOM 599 CE2 PHE 77 24.627 17.229 33.843 1.00 0.00 ATOM 600 CZ PHE 77 24.877 16.787 32.560 1.00 0.00 ATOM 601 O PHE 77 23.440 12.507 35.526 1.00 0.00 ATOM 602 C PHE 77 22.803 12.694 34.496 1.00 0.00 ATOM 603 N GLU 78 23.145 12.245 33.302 1.00 0.00 ATOM 604 CA GLU 78 24.372 11.454 33.100 1.00 0.00 ATOM 605 CB GLU 78 24.034 10.080 32.516 1.00 0.00 ATOM 606 CG GLU 78 25.243 9.191 32.265 1.00 0.00 ATOM 607 CD GLU 78 24.830 7.850 31.723 1.00 0.00 ATOM 608 OE1 GLU 78 23.659 7.653 31.505 1.00 0.00 ATOM 609 OE2 GLU 78 25.696 7.062 31.421 1.00 0.00 ATOM 610 O GLU 78 25.014 12.685 31.120 1.00 0.00 ATOM 611 C GLU 78 25.350 12.186 32.190 1.00 0.00 ATOM 612 N VAL 79 26.598 12.128 32.632 1.00 0.00 ATOM 613 CA VAL 79 27.702 12.807 31.935 1.00 0.00 ATOM 614 CB VAL 79 28.414 13.818 32.854 1.00 0.00 ATOM 615 CG1 VAL 79 28.952 13.122 34.095 1.00 0.00 ATOM 616 CG2 VAL 79 29.540 14.516 32.106 1.00 0.00 ATOM 617 O VAL 79 29.254 11.082 32.291 1.00 0.00 ATOM 618 C VAL 79 28.624 11.750 31.474 1.00 0.00 ATOM 619 N GLU 80 28.836 11.863 30.193 1.00 0.00 ATOM 620 CA GLU 80 29.715 10.913 29.524 1.00 0.00 ATOM 621 CB GLU 80 28.965 10.184 28.408 1.00 0.00 ATOM 622 CG GLU 80 27.855 9.263 28.893 1.00 0.00 ATOM 623 CD GLU 80 27.219 8.523 27.750 1.00 0.00 ATOM 624 OE1 GLU 80 27.625 8.734 26.632 1.00 0.00 ATOM 625 OE2 GLU 80 26.408 7.663 28.002 1.00 0.00 ATOM 626 O GLU 80 30.812 12.526 28.122 1.00 0.00 ATOM 627 C GLU 80 30.914 11.673 28.991 1.00 0.00 ATOM 628 N THR 81 32.023 11.493 29.688 1.00 0.00 ATOM 629 CA THR 81 33.301 12.133 29.288 1.00 0.00 ATOM 630 CB THR 81 34.446 11.755 30.245 1.00 0.00 ATOM 631 CG2 THR 81 34.166 12.279 31.646 1.00 0.00 ATOM 632 OG1 THR 81 34.584 10.329 30.291 1.00 0.00 ATOM 633 O THR 81 33.480 10.511 27.530 1.00 0.00 ATOM 634 C THR 81 33.610 11.688 27.858 1.00 0.00 ATOM 635 N ALA 82 34.227 12.597 27.110 1.00 0.00 ATOM 636 CA ALA 82 34.708 12.299 25.752 1.00 0.00 ATOM 637 CB ALA 82 35.408 13.516 25.164 1.00 0.00 ATOM 638 O ALA 82 36.589 11.084 26.683 1.00 0.00 ATOM 639 C ALA 82 35.703 11.129 25.829 1.00 0.00 ATOM 640 N GLY 83 35.394 10.113 25.037 1.00 0.00 ATOM 641 CA GLY 83 36.193 8.876 24.982 1.00 0.00 ATOM 642 O GLY 83 36.026 9.142 22.573 1.00 0.00 ATOM 643 C GLY 83 36.472 8.523 23.527 1.00 0.00 ATOM 644 N THR 84 37.173 7.416 23.370 1.00 0.00 ATOM 645 CA THR 84 37.475 6.860 22.026 1.00 0.00 ATOM 646 CB THR 84 38.345 5.592 22.121 1.00 0.00 ATOM 647 CG2 THR 84 38.595 5.013 20.737 1.00 0.00 ATOM 648 OG1 THR 84 39.600 5.916 22.733 1.00 0.00 ATOM 649 O THR 84 35.948 6.992 20.176 1.00 0.00 ATOM 650 C THR 84 36.153 6.544 21.301 1.00 0.00 ATOM 651 N PHE 85 35.216 5.943 22.038 1.00 0.00 ATOM 652 CA PHE 85 33.861 5.659 21.550 1.00 0.00 ATOM 653 CB PHE 85 33.017 5.019 22.654 1.00 0.00 ATOM 654 CG PHE 85 32.605 5.979 23.734 1.00 0.00 ATOM 655 CD1 PHE 85 31.397 6.657 23.655 1.00 0.00 ATOM 656 CD2 PHE 85 33.424 6.207 24.830 1.00 0.00 ATOM 657 CE1 PHE 85 31.017 7.540 24.647 1.00 0.00 ATOM 658 CE2 PHE 85 33.045 7.088 25.824 1.00 0.00 ATOM 659 CZ PHE 85 31.840 7.756 25.733 1.00 0.00 ATOM 660 O PHE 85 32.329 6.745 20.072 1.00 0.00 ATOM 661 C PHE 85 33.110 6.902 21.013 1.00 0.00 ATOM 662 N ASP 86 33.411 8.070 21.572 1.00 0.00 ATOM 663 CA ASP 86 32.773 9.336 21.205 1.00 0.00 ATOM 664 CB ASP 86 31.434 9.494 21.930 1.00 0.00 ATOM 665 CG ASP 86 30.598 10.674 21.456 1.00 0.00 ATOM 666 OD1 ASP 86 31.120 11.762 21.398 1.00 0.00 ATOM 667 OD2 ASP 86 29.496 10.455 21.009 1.00 0.00 ATOM 668 O ASP 86 34.072 10.731 22.676 1.00 0.00 ATOM 669 C ASP 86 33.698 10.521 21.525 1.00 0.00 ATOM 670 N MET 87 34.111 11.232 20.475 1.00 0.00 ATOM 671 CA MET 87 34.995 12.423 20.552 1.00 0.00 ATOM 672 CB MET 87 35.203 13.017 19.160 1.00 0.00 ATOM 673 CG MET 87 36.027 12.146 18.221 1.00 0.00 ATOM 674 SD MET 87 37.716 11.900 18.805 1.00 0.00 ATOM 675 CE MET 87 38.380 13.553 18.632 1.00 0.00 ATOM 676 O MET 87 35.404 14.501 21.656 1.00 0.00 ATOM 677 C MET 87 34.577 13.601 21.461 1.00 0.00 ATOM 678 N ASP 88 33.349 13.626 21.957 1.00 0.00 ATOM 679 CA ASP 88 32.882 14.744 22.792 1.00 0.00 ATOM 680 CB ASP 88 31.996 15.695 22.024 1.00 0.00 ATOM 681 CG ASP 88 30.703 15.049 21.547 1.00 0.00 ATOM 682 OD1 ASP 88 29.802 14.916 22.403 1.00 0.00 ATOM 683 OD2 ASP 88 30.674 14.995 20.295 1.00 0.00 ATOM 684 O ASP 88 31.514 13.185 24.045 1.00 0.00 ATOM 685 C ASP 88 32.091 14.261 23.996 1.00 0.00 ATOM 686 N ALA 89 32.199 15.045 25.053 1.00 0.00 ATOM 687 CA ALA 89 31.407 14.706 26.228 1.00 0.00 ATOM 688 CB ALA 89 32.040 15.349 27.454 1.00 0.00 ATOM 689 O ALA 89 29.494 16.015 25.500 1.00 0.00 ATOM 690 C ALA 89 29.911 14.949 25.966 1.00 0.00 ATOM 691 N GLU 90 29.132 13.964 26.406 1.00 0.00 ATOM 692 CA GLU 90 27.678 13.988 26.194 1.00 0.00 ATOM 693 CB GLU 90 27.231 12.755 25.405 1.00 0.00 ATOM 694 CG GLU 90 27.790 12.677 23.992 1.00 0.00 ATOM 695 CD GLU 90 27.307 11.444 23.280 1.00 0.00 ATOM 696 OE1 GLU 90 27.518 10.368 23.787 1.00 0.00 ATOM 697 OE2 GLU 90 26.628 11.581 22.289 1.00 0.00 ATOM 698 O GLU 90 27.339 13.446 28.540 1.00 0.00 ATOM 699 C GLU 90 26.966 14.061 27.540 1.00 0.00 ATOM 700 N LEU 91 25.999 14.966 27.575 1.00 0.00 ATOM 701 CA LEU 91 25.178 15.168 28.774 1.00 0.00 ATOM 702 CB LEU 91 25.179 16.650 29.173 1.00 0.00 ATOM 703 CG LEU 91 26.567 17.296 29.275 1.00 0.00 ATOM 704 CD1 LEU 91 26.448 18.700 29.854 1.00 0.00 ATOM 705 CD2 LEU 91 27.469 16.431 30.142 1.00 0.00 ATOM 706 O LEU 91 23.064 15.212 27.638 1.00 0.00 ATOM 707 C LEU 91 23.778 14.657 28.467 1.00 0.00 ATOM 708 N LYS 92 23.384 13.605 29.147 1.00 0.00 ATOM 709 CA LYS 92 22.074 12.974 28.940 1.00 0.00 ATOM 710 CB LYS 92 22.248 11.457 28.928 1.00 0.00 ATOM 711 CG LYS 92 22.906 10.978 27.645 1.00 0.00 ATOM 712 CD LYS 92 23.058 9.458 27.663 1.00 0.00 ATOM 713 CE LYS 92 21.761 8.662 27.733 1.00 0.00 ATOM 714 NZ LYS 92 20.983 8.925 26.523 1.00 0.00 ATOM 715 O LYS 92 21.432 12.931 31.248 1.00 0.00 ATOM 716 C LYS 92 21.154 13.284 30.109 1.00 0.00 ATOM 717 N LEU 93 20.007 13.865 29.779 1.00 0.00 ATOM 718 CA LEU 93 19.012 14.166 30.819 1.00 0.00 ATOM 719 CB LEU 93 18.571 15.632 30.722 1.00 0.00 ATOM 720 CG LEU 93 19.634 16.662 31.126 1.00 0.00 ATOM 721 CD1 LEU 93 19.103 18.072 30.911 1.00 0.00 ATOM 722 CD2 LEU 93 20.022 16.447 32.582 1.00 0.00 ATOM 723 O LEU 93 17.162 13.170 29.672 1.00 0.00 ATOM 724 C LEU 93 17.813 13.233 30.697 1.00 0.00 ATOM 725 N TRP 94 17.486 12.558 31.783 1.00 0.00 ATOM 726 CA TRP 94 16.298 11.688 31.821 1.00 0.00 ATOM 727 CB TRP 94 16.635 10.350 32.496 1.00 0.00 ATOM 728 CG TRP 94 17.711 9.532 31.768 1.00 0.00 ATOM 729 CD1 TRP 94 18.193 9.741 30.544 1.00 0.00 ATOM 730 CD2 TRP 94 18.393 8.444 32.294 1.00 0.00 ATOM 731 CE2 TRP 94 19.266 8.019 31.309 1.00 0.00 ATOM 732 CE3 TRP 94 18.329 7.759 33.499 1.00 0.00 ATOM 733 NE1 TRP 94 19.116 8.829 30.264 1.00 0.00 ATOM 734 CZ2 TRP 94 20.083 6.922 31.512 1.00 0.00 ATOM 735 CZ3 TRP 94 19.142 6.648 33.701 1.00 0.00 ATOM 736 CH2 TRP 94 20.009 6.225 32.708 1.00 0.00 ATOM 737 O TRP 94 15.391 12.710 33.793 1.00 0.00 ATOM 738 C TRP 94 15.214 12.420 32.617 1.00 0.00 ATOM 739 N ILE 95 14.233 12.935 31.894 1.00 0.00 ATOM 740 CA ILE 95 13.117 13.682 32.496 1.00 0.00 ATOM 741 CB ILE 95 12.368 14.523 31.446 1.00 0.00 ATOM 742 CG1 ILE 95 13.311 15.550 30.814 1.00 0.00 ATOM 743 CG2 ILE 95 11.168 15.214 32.075 1.00 0.00 ATOM 744 CD1 ILE 95 13.899 16.529 31.803 1.00 0.00 ATOM 745 O ILE 95 11.910 11.610 32.558 1.00 0.00 ATOM 746 C ILE 95 12.203 12.644 33.143 1.00 0.00 ATOM 747 N SER 96 11.639 13.019 34.277 1.00 0.00 ATOM 748 CA SER 96 10.535 12.231 34.871 1.00 0.00 ATOM 749 CB SER 96 10.038 12.697 36.233 1.00 0.00 ATOM 750 OG SER 96 9.795 14.098 36.207 1.00 0.00 ATOM 751 O SER 96 8.703 11.214 33.729 1.00 0.00 ATOM 752 C SER 96 9.320 12.251 33.952 1.00 0.00 ATOM 753 N GLY 97 9.039 13.431 33.416 1.00 0.00 ATOM 754 CA GLY 97 7.909 13.631 32.505 1.00 0.00 ATOM 755 O GLY 97 7.323 11.990 30.846 1.00 0.00 ATOM 756 C GLY 97 8.123 12.846 31.205 1.00 0.00 ATOM 757 N GLN 98 9.278 13.025 30.586 1.00 0.00 ATOM 758 CA GLN 98 9.608 12.300 29.360 1.00 0.00 ATOM 759 CB GLN 98 10.896 12.850 28.743 1.00 0.00 ATOM 760 CG GLN 98 11.254 12.237 27.400 1.00 0.00 ATOM 761 CD GLN 98 10.212 12.525 26.336 1.00 0.00 ATOM 762 OE1 GLN 98 9.747 13.660 26.194 1.00 0.00 ATOM 763 NE2 GLN 98 9.835 11.498 25.583 1.00 0.00 ATOM 764 O GLN 98 9.297 10.028 28.800 1.00 0.00 ATOM 765 C GLN 98 9.763 10.815 29.613 1.00 0.00 ATOM 766 N LYS 99 10.382 10.499 30.732 1.00 0.00 ATOM 767 CA LYS 99 10.600 9.142 31.230 1.00 0.00 ATOM 768 CB LYS 99 9.260 8.728 31.862 1.00 0.00 ATOM 769 CG LYS 99 8.262 8.192 30.844 1.00 0.00 ATOM 770 CD LYS 99 6.813 8.562 31.105 1.00 0.00 ATOM 771 CE LYS 99 6.317 8.143 32.466 1.00 0.00 ATOM 772 NZ LYS 99 4.870 8.050 32.434 1.00 0.00 ATOM 773 O LYS 99 11.273 7.027 30.285 1.00 0.00 ATOM 774 C LYS 99 11.282 8.248 30.168 1.00 0.00 ATOM 775 N ASP 100 12.096 8.910 29.339 1.00 0.00 ATOM 776 CA ASP 100 12.844 8.266 28.245 1.00 0.00 ATOM 777 CB ASP 100 12.039 8.390 26.942 1.00 0.00 ATOM 778 CG ASP 100 10.801 7.489 26.996 1.00 0.00 ATOM 779 OD1 ASP 100 10.950 6.255 26.982 1.00 0.00 ATOM 780 OD2 ASP 100 9.711 8.083 27.100 1.00 0.00 ATOM 781 O ASP 100 14.608 9.879 28.600 1.00 0.00 ATOM 782 C ASP 100 14.280 8.812 28.084 1.00 0.00 ATOM 783 N PRO 101 15.180 8.072 27.418 1.00 0.00 ATOM 784 CA PRO 101 16.582 8.467 27.233 1.00 0.00 ATOM 785 CB PRO 101 17.189 7.274 26.499 1.00 0.00 ATOM 786 CG PRO 101 16.029 6.749 25.653 1.00 0.00 ATOM 787 CD PRO 101 14.882 6.866 26.632 1.00 0.00 ATOM 788 O PRO 101 16.328 9.818 25.253 1.00 0.00 ATOM 789 C PRO 101 16.710 9.750 26.408 1.00 0.00 ATOM 790 N LEU 102 17.388 10.742 26.964 1.00 0.00 ATOM 791 CA LEU 102 17.714 11.970 26.227 1.00 0.00 ATOM 792 CB LEU 102 17.003 13.173 26.860 1.00 0.00 ATOM 793 CG LEU 102 15.471 13.097 26.864 1.00 0.00 ATOM 794 CD1 LEU 102 14.892 14.272 27.639 1.00 0.00 ATOM 795 CD2 LEU 102 14.958 13.092 25.431 1.00 0.00 ATOM 796 O LEU 102 19.845 11.822 27.247 1.00 0.00 ATOM 797 C LEU 102 19.221 12.129 26.234 1.00 0.00 ATOM 798 N VAL 103 19.773 12.451 25.072 1.00 0.00 ATOM 799 CA VAL 103 21.232 12.615 24.947 1.00 0.00 ATOM 800 CB VAL 103 21.857 11.492 24.098 1.00 0.00 ATOM 801 CG1 VAL 103 21.239 11.469 22.707 1.00 0.00 ATOM 802 CG2 VAL 103 23.365 11.667 24.008 1.00 0.00 ATOM 803 O VAL 103 20.957 14.395 23.357 1.00 0.00 ATOM 804 C VAL 103 21.582 13.965 24.326 1.00 0.00 ATOM 805 N LYS 104 22.386 14.716 25.056 1.00 0.00 ATOM 806 CA LYS 104 22.853 16.020 24.538 1.00 0.00 ATOM 807 CB LYS 104 22.613 17.123 25.569 1.00 0.00 ATOM 808 CG LYS 104 21.147 17.353 25.914 1.00 0.00 ATOM 809 CD LYS 104 20.943 18.695 26.601 1.00 0.00 ATOM 810 CE LYS 104 21.288 18.619 28.080 1.00 0.00 ATOM 811 NZ LYS 104 22.740 18.831 28.325 1.00 0.00 ATOM 812 O LYS 104 25.164 15.543 24.997 1.00 0.00 ATOM 813 C LYS 104 24.333 15.903 24.181 1.00 0.00 ATOM 814 N GLU 105 24.563 16.136 22.901 1.00 0.00 ATOM 815 CA GLU 105 25.892 15.940 22.305 1.00 0.00 ATOM 816 CB GLU 105 25.799 15.038 21.071 1.00 0.00 ATOM 817 CG GLU 105 27.135 14.749 20.403 1.00 0.00 ATOM 818 CD GLU 105 26.964 13.859 19.203 1.00 0.00 ATOM 819 OE1 GLU 105 25.849 13.502 18.905 1.00 0.00 ATOM 820 OE2 GLU 105 27.931 13.625 18.518 1.00 0.00 ATOM 821 O GLU 105 25.940 18.065 21.172 1.00 0.00 ATOM 822 C GLU 105 26.519 17.284 21.938 1.00 0.00 ATOM 823 N LEU 106 27.683 17.506 22.517 1.00 0.00 ATOM 824 CA LEU 106 28.418 18.758 22.297 1.00 0.00 ATOM 825 CB LEU 106 29.154 19.173 23.577 1.00 0.00 ATOM 826 CG LEU 106 29.304 20.685 23.784 1.00 0.00 ATOM 827 CD1 LEU 106 29.389 21.003 25.270 1.00 0.00 ATOM 828 CD2 LEU 106 30.545 21.178 23.055 1.00 0.00 ATOM 829 O LEU 106 30.497 18.102 21.304 1.00 0.00 ATOM 830 C LEU 106 29.378 18.561 21.136 1.00 0.00 ATOM 831 N LYS 107 29.036 19.151 19.982 1.00 0.00 ATOM 832 CA LYS 107 29.889 19.013 18.781 1.00 0.00 ATOM 833 CB LYS 107 29.223 19.673 17.573 1.00 0.00 ATOM 834 CG LYS 107 27.991 18.944 17.056 1.00 0.00 ATOM 835 CD LYS 107 27.385 19.658 15.857 1.00 0.00 ATOM 836 CE LYS 107 26.137 18.944 15.358 1.00 0.00 ATOM 837 NZ LYS 107 25.517 19.650 14.205 1.00 0.00 ATOM 838 O LYS 107 32.303 19.107 18.481 1.00 0.00 ATOM 839 C LYS 107 31.301 19.619 18.990 1.00 0.00 ATOM 840 N LYS 108 31.317 20.812 19.587 1.00 0.00 ATOM 841 CA LYS 108 32.536 21.587 19.902 1.00 0.00 ATOM 842 CB LYS 108 32.190 22.802 20.765 1.00 0.00 ATOM 843 CG LYS 108 33.377 23.698 21.093 1.00 0.00 ATOM 844 CD LYS 108 33.852 24.460 19.866 1.00 0.00 ATOM 845 CE LYS 108 34.937 25.465 20.223 1.00 0.00 ATOM 846 NZ LYS 108 35.408 26.223 19.032 1.00 0.00 ATOM 847 O LYS 108 34.754 20.880 20.423 1.00 0.00 ATOM 848 C LYS 108 33.566 20.693 20.615 1.00 0.00 ATOM 849 N GLY 109 33.077 19.760 21.438 1.00 0.00 ATOM 850 CA GLY 109 33.927 18.861 22.239 1.00 0.00 ATOM 851 O GLY 109 34.914 18.817 24.429 1.00 0.00 ATOM 852 C GLY 109 34.247 19.445 23.613 1.00 0.00 ATOM 853 N THR 110 33.886 20.705 23.804 1.00 0.00 ATOM 854 CA THR 110 34.201 21.415 25.042 1.00 0.00 ATOM 855 CB THR 110 35.225 22.540 24.803 1.00 0.00 ATOM 856 CG2 THR 110 36.497 21.980 24.183 1.00 0.00 ATOM 857 OG1 THR 110 34.663 23.524 23.926 1.00 0.00 ATOM 858 O THR 110 31.876 22.052 25.191 1.00 0.00 ATOM 859 C THR 110 32.991 22.028 25.712 1.00 0.00 ATOM 860 N ASP 111 33.418 22.335 26.920 1.00 0.00 ATOM 861 CA ASP 111 32.758 22.932 28.061 1.00 0.00 ATOM 862 CB ASP 111 32.721 24.462 27.888 1.00 0.00 ATOM 863 CG ASP 111 34.022 25.148 28.386 1.00 0.00 ATOM 864 OD1 ASP 111 34.157 26.377 28.238 1.00 0.00 ATOM 865 OD2 ASP 111 34.802 24.500 29.131 1.00 0.00 ATOM 866 O ASP 111 30.759 22.521 29.376 1.00 0.00 ATOM 867 C ASP 111 31.549 22.113 28.542 1.00 0.00 ATOM 868 N VAL 112 31.716 20.796 28.340 1.00 0.00 ATOM 869 CA VAL 112 30.769 19.788 28.866 1.00 0.00 ATOM 870 CB VAL 112 30.900 18.447 28.119 1.00 0.00 ATOM 871 CG1 VAL 112 29.920 17.427 28.680 1.00 0.00 ATOM 872 CG2 VAL 112 30.668 18.642 26.628 1.00 0.00 ATOM 873 O VAL 112 30.046 19.412 31.111 1.00 0.00 ATOM 874 C VAL 112 30.998 19.564 30.353 1.00 0.00 ATOM 875 N VAL 113 32.269 19.451 30.759 1.00 0.00 ATOM 876 CA VAL 113 32.600 19.283 32.185 1.00 0.00 ATOM 877 CB VAL 113 34.113 19.284 32.490 1.00 0.00 ATOM 878 CG1 VAL 113 34.460 19.290 33.989 1.00 0.00 ATOM 879 CG2 VAL 113 34.681 17.992 31.978 1.00 0.00 ATOM 880 O VAL 113 31.205 19.996 34.003 1.00 0.00 ATOM 881 C VAL 113 31.896 20.339 33.028 1.00 0.00 ATOM 882 N GLY 114 32.162 21.587 32.664 1.00 0.00 ATOM 883 CA GLY 114 31.616 22.749 33.365 1.00 0.00 ATOM 884 O GLY 114 29.487 22.740 34.473 1.00 0.00 ATOM 885 C GLY 114 30.083 22.737 33.389 1.00 0.00 ATOM 886 N ILE 115 29.502 22.405 32.241 1.00 0.00 ATOM 887 CA ILE 115 28.036 22.296 32.126 1.00 0.00 ATOM 888 CB ILE 115 27.586 22.050 30.680 1.00 0.00 ATOM 889 CG1 ILE 115 27.921 23.239 29.777 1.00 0.00 ATOM 890 CG2 ILE 115 26.072 21.942 30.630 1.00 0.00 ATOM 891 CD1 ILE 115 27.736 22.884 28.293 1.00 0.00 ATOM 892 O ILE 115 26.492 21.404 33.736 1.00 0.00 ATOM 893 C ILE 115 27.486 21.209 33.050 1.00 0.00 ATOM 894 N GLN 116 28.160 20.064 33.047 1.00 0.00 ATOM 895 CA GLN 116 27.714 18.918 33.854 1.00 0.00 ATOM 896 CB GLN 116 28.802 17.872 33.820 1.00 0.00 ATOM 897 CG GLN 116 28.353 16.739 34.741 1.00 0.00 ATOM 898 CD GLN 116 28.510 16.465 36.202 1.00 0.00 ATOM 899 OE1 GLN 116 29.322 16.983 36.953 1.00 0.00 ATOM 900 NE2 GLN 116 27.542 15.724 36.581 1.00 0.00 ATOM 901 O GLN 116 26.522 18.926 35.943 1.00 0.00 ATOM 902 C GLN 116 27.496 19.334 35.309 1.00 0.00 ATOM 903 N LYS 117 28.562 19.910 35.849 1.00 0.00 ATOM 904 CA LYS 117 28.560 20.269 37.271 1.00 0.00 ATOM 905 CB LYS 117 29.907 20.871 37.674 1.00 0.00 ATOM 906 CG LYS 117 31.058 19.873 37.704 1.00 0.00 ATOM 907 CD LYS 117 32.360 20.543 38.113 1.00 0.00 ATOM 908 CE LYS 117 33.515 19.552 38.124 1.00 0.00 ATOM 909 NZ LYS 117 34.803 20.201 38.491 1.00 0.00 ATOM 910 O LYS 117 26.709 21.086 38.561 1.00 0.00 ATOM 911 C LYS 117 27.419 21.253 37.577 1.00 0.00 ATOM 912 N THR 118 27.173 22.172 36.634 1.00 0.00 ATOM 913 CA THR 118 26.107 23.183 36.811 1.00 0.00 ATOM 914 CB THR 118 26.172 24.270 35.722 1.00 0.00 ATOM 915 CG2 THR 118 25.034 25.265 35.892 1.00 0.00 ATOM 916 OG1 THR 118 27.424 24.962 35.808 1.00 0.00 ATOM 917 O THR 118 23.856 22.885 37.612 1.00 0.00 ATOM 918 C THR 118 24.714 22.560 36.791 1.00 0.00 ATOM 919 N ILE 119 24.535 21.693 35.815 1.00 0.00 ATOM 920 CA ILE 119 23.240 21.012 35.618 1.00 0.00 ATOM 921 CB ILE 119 23.286 20.047 34.419 1.00 0.00 ATOM 922 CG1 ILE 119 23.546 20.819 33.122 1.00 0.00 ATOM 923 CG2 ILE 119 21.989 19.257 34.321 1.00 0.00 ATOM 924 CD1 ILE 119 23.713 19.933 31.909 1.00 0.00 ATOM 925 O ILE 119 21.751 20.413 37.390 1.00 0.00 ATOM 926 C ILE 119 22.849 20.243 36.882 1.00 0.00 ATOM 927 N ALA 120 23.794 19.469 37.400 1.00 0.00 ATOM 928 CA ALA 120 23.551 18.688 38.620 1.00 0.00 ATOM 929 CB ALA 120 24.856 17.986 38.943 1.00 0.00 ATOM 930 O ALA 120 22.144 19.302 40.427 1.00 0.00 ATOM 931 C ALA 120 23.156 19.572 39.795 1.00 0.00 ATOM 932 N ASN 121 23.861 20.694 39.924 1.00 0.00 ATOM 933 CA ASN 121 23.560 21.673 40.976 1.00 0.00 ATOM 934 CB ASN 121 24.582 22.795 40.999 1.00 0.00 ATOM 935 CG ASN 121 25.921 22.383 41.546 1.00 0.00 ATOM 936 ND2 ASN 121 26.911 23.200 41.289 1.00 0.00 ATOM 937 OD1 ASN 121 26.042 21.376 42.253 1.00 0.00 ATOM 938 O ASN 121 21.478 22.450 41.880 1.00 0.00 ATOM 939 C ASN 121 22.171 22.283 40.874 1.00 0.00 ATOM 940 N PHE 122 21.809 22.640 39.658 1.00 0.00 ATOM 941 CA PHE 122 20.461 23.180 39.381 1.00 0.00 ATOM 942 CB PHE 122 20.270 23.547 37.912 1.00 0.00 ATOM 943 CG PHE 122 21.083 24.765 37.486 1.00 0.00 ATOM 944 CD1 PHE 122 21.586 25.645 38.447 1.00 0.00 ATOM 945 CD2 PHE 122 21.241 25.005 36.133 1.00 0.00 ATOM 946 CE1 PHE 122 22.237 26.776 38.054 1.00 0.00 ATOM 947 CE2 PHE 122 21.901 26.150 35.724 1.00 0.00 ATOM 948 CZ PHE 122 22.372 26.991 36.724 1.00 0.00 ATOM 949 O PHE 122 18.448 22.621 40.511 1.00 0.00 ATOM 950 C PHE 122 19.357 22.210 39.793 1.00 0.00 ATOM 951 N SER 123 19.487 20.974 39.331 1.00 0.00 ATOM 952 CA SER 123 18.526 19.900 39.660 1.00 0.00 ATOM 953 CB SER 123 18.902 18.623 38.935 1.00 0.00 ATOM 954 OG SER 123 18.025 17.571 39.232 1.00 0.00 ATOM 955 O SER 123 17.364 19.275 41.652 1.00 0.00 ATOM 956 C SER 123 18.442 19.637 41.170 1.00 0.00 ATOM 957 N LEU 124 19.600 19.631 41.823 1.00 0.00 ATOM 958 CA LEU 124 19.687 19.409 43.278 1.00 0.00 ATOM 959 CB LEU 124 21.145 19.166 43.690 1.00 0.00 ATOM 960 CG LEU 124 21.769 17.873 43.151 1.00 0.00 ATOM 961 CD1 LEU 124 23.245 17.812 43.521 1.00 0.00 ATOM 962 CD2 LEU 124 21.022 16.674 43.715 1.00 0.00 ATOM 963 O LEU 124 18.890 21.637 43.540 1.00 0.00 ATOM 964 C LEU 124 19.120 20.557 44.123 1.00 0.00 TER END